# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-05T09:18:22+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica C (39,1983-)') AND volume = 55 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
"2008042","11.8769","0.0001","11.8769","0.0001","23.0394","0.0004","90","","90","","120","","2814.54","0.06","228","2","228","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- Co H28 I Mo6 Na3 O38 -","- Co1.02 I Mo6 Na3 O38 -","- Co3.06 I3 Mo18 Na9 O114 -","3","0.0833333","BK1375","Rosu, Cristina; Dickman, Michael H.","Cobalt(II) trisodium hexamolybdoperiodate tetradecahydrate","Acta Crystallographica Section C","1999","55","1","11","13","10.1107/S0108270198011391","","","0.71073","MoKα","","0.0357","0.0334","","0.1024","0.0997","","","","1.167","1.181","1.181","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008043","12.852","0.002","12.852","0.002","13.037","0.003","90","","90","","90","","2153.4","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H33 Cl4 Co N4 O3 -","- C12 H30 Cl4 Co N4 O3 -","- C48 H120 Cl16 Co4 N16 O12 -","4","0.5","BK1391","Jeong, Jong Hwa; Kim, Dong Yeub; Lee, Dong Jin; Lee, Bae Wook; Doh, Myung Ki","Oxonium Λ-{<i>N</i>,<i>N</i>'-bis[2(<i>S</i>)-pyrrolidinylmethyl]ethane-1,2-diamine}-<i>cis</i>-α-dichlorocobalt(III) dichloride dihydrate","Acta Crystallographica Section C","1999","55","1","56","58","10.1107/S0108270198009421","","","0.71073","MoKα","","0.046","0.042","","","","0.088","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008044","7.6544","0.0012","15.351","0.003","10.287","0.002","90","","106.544","0.008","90","","1158.7","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Cl2 N8 Sn -","- C26 H14 Cl2 N8 Sn -","- C52 H28 Cl4 N16 Sn2 -","2","0.5","BK1399","Farris, Philip J.; Jacobs, Jude T.; Okonczac, Michael P.; Durfee, William S.; Noll, Bruce C.","<i>trans</i>-Dichloro(hemiporphyrazinato)tin(IV)","Acta Crystallographica Section C","1999","55","1","32","33","10.1107/S0108270198011408","","","0.71073","MoKα","","0.079","0.046","","0.12","0.1043","","","","0.999","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008045","10.273","0.002","11.077","0.002","13.803","0.003","69.43","0.01","68.45","0.01","79.33","0.01","1364.9","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","bis(tetraphenylphosphonium) bis(cis-1,2-dicarbomethoxyethylene-1,2-diseleno)- palladate(II)","","- C60 H52 O8 P2 Pd Se4 -","- C60 H52 O8 P2 Pd Se4 -","- C60 H52 O8 P2 Pd Se4 -","1","0.5","BK1405","McLauchlan, Craig C.; Ibers, James A.","[PPh~4~]~2~[Pd{Se~2~C~2~(COOCH~3~)~2~}~2~]","Acta Crystallographica Section C","1999","55","1","30","32","10.1107/S0108270198010543","","","0.71073","MoKα","","0.0789","0.0414","","","","0.0889","","","","","","0.899","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008046","15.894","0.001","13.693","0.002","8.442","0.001","90","","94.87","0.01","90","","1830.7","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3',5,5'-tetramethyl-6,6'-dimethoxybiphenyl-2,2'-dimethanol","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","BK1410","Dobson, Allison J.; Gerkin, Roger E.","6,6'-Dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dimethanol","Acta Crystallographica Section C","1999","55","1","82","84","10.1107/S0108270198009779","","","0.71073","MoKα","","","0.057","","","0.07","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008047","30.559","0.003","6.363","0.003","19.744","0.004","90","","105.82","0.01","90","","3693.7","1.9","296","","296","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dineopentylprehnitene","","","- C20 H34 -","- C20 H34 -","- C160 H272 -","8","1","BK1414","Gerkin, Roger E.","Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K","Acta Crystallographica Section C","1999","55","1","79","82","10.1107/S010827019801141X","","","0.71073","MoKα","","","0.086","","","0.112","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008048","30.439","0.002","6.314","0.003","19.663","0.003","90","","106.06","0.01","90","","3631.6","1.8","223","","223","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dineopentylprehnitene","","","- C20 H34 -","- C20 H34 -","- C160 H272 -","8","1","BK1414","Gerkin, Roger E.","Dineopentylprehnitene (1,2,3,4-tetramethyl-5,6-dineopentylbenzene) at 296 and 223K","Acta Crystallographica Section C","1999","55","1","79","82","10.1107/S010827019801141X","","","0.71073","MoKα","","","0.072","","","0.107","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008049","10.1867","0.001","9.759","0.002","17.7778","0.001","90","0.001","94.009","0.01","90","0.02","1763","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-H...π (Indole) Intermolecular Interaction in 3,3'-Di Indolyl-Phenyl Methane","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","BM1241","R. Krishna; D. Velmurugan; G. Babu; P.T. Perumal","N—H···π(indole) intermolecular interactions in 3,3'-benzylidenediindole","Acta Crystallographica Section C","1999","55","1","75","78","10.1107/S0108270198010695","","","1.54178","CuKα","","0.0671","0.0532","","0.1892","0.1618","","","","1.039","1.063","1.063","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008050","23.93","0.002","12.5245","0.0011","11.903","0.002","90","","90","","90","","3567.5","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","A complex of 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole and diphenyltin(IV) dichloride monohydrate","","- C30 H30 B2 Cl2 N12 O Sn -","- C30 H30 B2 Cl2 N12 O Sn -","- C120 H120 B8 Cl8 N48 O4 Sn4 -","4","1","BM1258","Dey, Dilip Kumar; Das, Mrinal Kanti; Chinnakali, Kandasamy; Fun, Hoong-Kun; Razak, Ibrahim Abdul","An adduct of aquadichlorodiphenyltin(IV) and 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole","Acta Crystallographica Section C","1999","55","1","20","22","10.1107/S0108270198009780","","","0.71073","MoKα","","0.068","0.039","","0.088","0.081","","","","0.887","1.01","1.01","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2008051","8.951","0.002","12.802","0.002","12.879","0.002","107.62","0.01","104.61","0.01","90.31","0.01","1355.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Mo N2 O4 -","- C12 H10 Mo N2 O4 -","- C48 H40 Mo4 N8 O16 -","4","2","BM1268","Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.","Molybdenum‒tetracarbonyl complexes with Schiff base ligands","Acta Crystallographica Section C","1999","55","1","48","50","10.1107/S0108270198011433","","","0.71073","MoKα","","0.044","0.033","","0.085","0.079","","","","1.071","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008052","11.529","0.002","11.879","0.001","12.661","0.004","90","","96.21","0.01","90","","1723.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Mo N2 O4 -","- C17 H12 Mo N2 O4 -","- C68 H48 Mo4 N8 O16 -","4","1","BM1268","Mentes, Ayfer; Fawcett, John; Kemmitt, Raymond D. W.; Russell, David R.","Molybdenum‒tetracarbonyl complexes with Schiff base ligands","Acta Crystallographica Section C","1999","55","1","48","50","10.1107/S0108270198011433","","","0.71073","MoKα","","0.044","0.032","","0.083","0.077","","","","1.096","1.137","1.137","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008053","8.5887","0.001","8.6404","0.0006","9.6169","0.0006","90","","98.398","0.007","90","","706.02","0.11","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","N-((R/S)-2-Hydroxy-2-Phenylacetyl)-L-leucine","(2S)-2-{[(2R)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C28 H38 N2 O8 -","2","1","BM1269","Dalton, John P.; Gallagher, John F.; Kenny, Peter T. M.; O'Donohoe, Michael","Intramolecular N—H···O, intermolecular O—H···O, C—H···O and C<i>sp</i>^3^—H···π~arene~ interactions in (2<i>S</i>)-2-{[(2<i>R</i>)-2-hydroxy-2-phenylethanoyl]amino}-4-methylpentanoic acid","Acta Crystallographica Section C","1999","55","1","126","129","10.1107/S0108270198010063","","","0.7107","MolybdenumKα","","0.057","0.04","","","","0.119","","","","","","1.013","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008054","9.969","0.004","11.671","0.003","12.706","0.002","63.859","0.013","77.63","0.02","65.257","0.015","1204.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 Fe N4 O3 -","- C27 H27 Fe N4 O3 -","- C54 H54 Fe2 N8 O6 -","2","1","BM1273","Ling He; Qing-Fang Shi; Shao-Hua Gou; Ming Qian; Chun-Ying Duan","[<i>N</i>-Salicyl-<i>N</i>,<i>N</i>-bis(salicylidenenitriloethyl)amino]iron(III) acetonitrile solvate","Acta Crystallographica Section C","1999","55","1","46","47","10.1107/S0108270198010580","","","0.71073","MoKα","","0.0578","0.0447","","0.1207","0.1116","","","","1.045","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008055","7.212","0.002","5.177","0.001","11.498","0.003","90","0.02","93.11","0.02","90","0.03","428.6","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B8 Ca8 O20 -","4","1","","Lin, Qi-Sheng; Cheng, Wen-Dan; Chen, Jiu-Tong; Huang, Jin-Shun","Calcium pyroborate, Ca~2~B~2~O~5~","Acta Crystallographica Section C","1999","55","","04","06","","","","","","","","0.0561","","","0.071","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008056","9.256","0.003","9.726","0.003","12.073","0.003","90","","90","","90","","1086.9","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 K3 N O3 Zn -","- Cl4 K3 N O3 Zn -","- Cl16 K12 N4 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008057","9.268","0.003","10.042","0.003","12.482","0.003","90","","90","","90","","1161.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl4 H12 N4 O3 Zn -","- Cl4 H12 N4 O3 Zn -","- Cl16 H48 N16 O12 Zn4 -","4","0.5","","Carter, Robert L.; Zompa, Leverett J.","The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)","Acta Crystallographica Section C","1999","55","","06","08","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008058","19.8165","0.0002","11.4468","0.0001","9.9208","0.0001","90","","109.185","0.0005","90","","2125.41","0.04","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ba4 O27 Ti12 -","- Ba4 O27 Ti12 -","- Ba16 O108 Ti48 -","4","0.5","","Currao, Antonio","Ba~4~Ti~12~O~27~: Rietveld refinement using x-ray powder diffraction data","Acta Crystallographica Section C","1999","55","","02","04","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008059","11.129","0.001","8.247","0.001","5.5395","0.0003","90","","100.88","0.01","90","","499.28","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bloedite","","","- H8 Mg Na2 O12 S2 -","- H8 Mg Na2 O12 S2 -","- H16 Mg2 Na4 O24 S4 -","2","0.5","BR1219","Vizcayno, Carmen; Garcia-Gonzalez, M. Teresa","Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral","Acta Crystallographica Section C","1999","55","1","8","11","10.1107/S0108270198011135","","","0.7107","MoKα","","0.0294","0.0289","","0.079","0.078","","","","1.207","1.201","1.201","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008060","9.486","0.001","21.276","0.004","25.266","0.004","90","","94.92","0.01","90","","5080.5","1.4","213","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl2 O11 P2 Ru3 -","- C50 H38 Cl2 O11 P2 Ru3 -","- C200 H152 Cl8 O44 P8 Ru12 -","4","1","DA1022","Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G.","The [Ru~3~(CO)~11~]^2-^ dianion","Acta Crystallographica Section C","1999","55","1","29","30","10.1107/S010827019800883X","","","0.71073","MoKα","","0.055","0.033","","0.139","","0.084","","","","","","1.049","","","","has coordinates,has Fobs","278322","2022-10-03","12:14:44",""
"2008061","7.826","0.002","17.069","0.003","11.578","0.002","90","","93.09","0.03","90","","1544.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)","","- C24 H36 N6 O16 Sr -","- C24 H36 N6 O16 Sr -","- C48 H72 N12 O32 Sr2 -","2","0.5","DE1079","Poonia, Narinder Singh; Chhabra, Neera; Sheldrick, W. S.; Hundal, Geeta; Obrai, Sangeeta; Hundal, Maninder Singh","Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)","Acta Crystallographica Section C","1999","55","1","24","26","10.1107/S0108270198010075","","","0.71073","MoKα","","0.136","0.078","","0.279","0.191","","","","1.077","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008062","8.736","0.002","9.655","0.002","18.773","0.004","99.79","0.03","95.9","0.03","102.93","0.03","1504.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,5,8,11,14-pentaoxapentadecanecalcium(II) (2,4,6-trinitrophenolate)","","- C22 H26 Ca N6 O19 -","- C22 H26 Ca N6 O19 -","- C44 H52 Ca2 N12 O38 -","2","1","DE1081","Poonia, Narinder Singh; Hundal,Geeta; Obrai, Sangeeta; Hundal, Maninder Singh","(2,5,8,11,14-Pentaoxapentadecane-κ^5^<i>O</i>)bis(2,4,6-trinitrophenolato-<i>O</i>^1^,<i>O</i>^2^)calcium(II)","Acta Crystallographica Section C","1999","55","1","26","28","10.1107/S0108270198005721","","","0.71073","MoKα","","0.1","0.061","","0.187","0.152","","","","1.047","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008063","11.834","0.002","12.159","0.004","12.438","0.004","90","","112.77","0.02","90","","1650.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,2'-biphenoxy)(cyclohexylamino)phosphate","2,2'-Biphenyl (Cyclohexylamino)phosphonate","","- C18 H20 N O3 P -","- C18 H20 N O3 P -","- C72 H80 N4 O12 P4 -","4","1","DE1092","Muthaiah, C.; Kumara Swamy, K. C.","2,2'-Biphenyl (cyclohexylamino)phosphonate: a hydrogen-bonded dimer","Acta Crystallographica Section C","1999","55","1","110","112","10.1107/S0108270198010087","","","0.71073","MoKα","","0.064","0.044","","","","0.148","","","","","","1.08","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008064","12.0436","0.0009","9.187","0.0005","18.7995","0.001","90","","93.128","0.008","90","","2077","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene","","- C16 H24 Fe I2 Si2 -","- C16 H24 Fe I2 Si2 -","- C64 H96 Fe4 I8 Si8 -","4","1","FG1467","Foucher, Daniel A.; Lough, Alan J.; Park, Peter","1,1'-Diiodo-3,3'-bis(trimethylsilyl)ferrocene","Acta Crystallographica Section C","1999","55","1","33","35","10.1107/S0108270198009792","","","0.71073","MoKα","","0.056","0.038","","0.098","0.092","","","","0.922","1.021","1.021","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008065","6.29","0.002","7.04","0.003","27.479","0.004","90","","100.83","0.03","90","","1195.1","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Mn O12 S2 -","- C16 H26 Mn O12 S2 -","- C32 H52 Mn2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.083","","","0.091","","","","","","","1.48","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008066","6.298","0.002","6.987","0.003","27.309","0.004","90","","100.86","0.04","90","","1180.2","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Co O12 S2 -","- C16 H26 Co O12 S2 -","- C32 H52 Co2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.068","","","0.088","","","","","","","1.93","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008067","6.292","0.002","6.934","0.005","27.315","0.005","90","","100.68","0.04","90","","1171.1","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Ni O12 S2 -","- C16 H26 Ni O12 S2 -","- C32 H52 Ni2 O24 S4 -","2","0.5","FG1487","Melvin A. Leonard; Philip J. Squattrito; Surendra N. Dubey","Hexaaquametal(II) 4-styrenesulfonates of manganese, cobalt and nickel","Acta Crystallographica Section C","1999","55","1","35","39","10.1107/S0108270198010105","","","0.7107","MoKα","","","0.081","","","0.104","","","","","","","2.27","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008068","11.9156","0.0012","12.7033","0.0019","11.9651","0.0017","90","","100.415","0.01","90","","1781.3","0.4","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","Pseudaconitine","[1α,6α,14α(E),16β]-20-Ethyl-1,6,16-trimethoxy-4-methoxymethyl-3,13- dihydroxyaconitane-8,14-diyl 8-acetate 14-(3',4'-dimethoxybenzoate)","","- C36 H51 N O12 -","- C36 H51 N O12 -","- C72 H102 N2 O24 -","2","1","FG1489","Parvez, Masood; Gul, Waseem; Atta-ur-Rahman; Choudhary, M. Iqbal; Nasreen, Amber; Fatima, Nuzhat","Pseudaconitine","Acta Crystallographica Section C","1999","55","1","72","74","10.1107/S0108270198010129","","","1.54178","CuKα","","0.069","0.057","","","","0.161","","","","","","1.044","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008069","10.8326","0.0007","14.3281","0.0015","10.976","0.003","90","","107.026","0.011","90","","1628.9","0.5","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gliclazide","N-[(perhydrocyclopenta[c]pyrrol-2-yl)aminocarbonyl]-p-toluenesulfonamide","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","FG1499","Parvez, Masood; Arayne, M. Saeed; Zaman, M. Kamran; Sultana, Najma","Gliclazide","Acta Crystallographica Section C","1999","55","1","74","75","10.1107/S0108270198009883","","","1.54178","CuKα","","0.066","0.053","","","","0.149","","","","","","1.019","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008070","15.593","0.003","15.596","0.009","20.041","0.006","90","","95.12","0.02","90","","4854","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","25,27-dihydroxyethoxy-26,28-dipropoxy-tert-butyl-calix[4]arene","","- C54 H76 O6 -","- C54 H76 O6 -","- C216 H304 O24 -","4","1","FG1502","Nissinen, Maija; Parzuchowski, Pawel; Böhmer, Volker; Rokicki, Gabriel; Rissanen, Kari","25,27-Dihydroxyethoxy-26,28-dipropoxy-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section C","1999","55","1","104","106","10.1107/S0108270198010221","","","0.71073","MoKα","","0.075","0.047","","","","0.14","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008071","32.802","0.003","9.267","0.002","11.756","0.002","90","","108.93","0.01","90","","3380.3","1","293","1","293","1","","","","","","","","4","C 1 2 1","C 2y","5","indaconitine","","","- C35 H48.5 N1.5 O10 -","- C35 H48.5 N1.5 O10 -","- C140 H194 N6 O40 -","4","1","FG1503","Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, M. Iqbal","Indaconitine 0.5-acetonitrile solvate","Acta Crystallographica Section C","1999","55","1","70","72","10.1107/S0108270198010130","","","1.54178","CuKα","","0.074","0.067","","0.188","0.179","","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008072","7.1459","0.001","7.5905","0.0009","8.8515","0.0008","82.682","0.009","77.437","0.009","68.864","0.01","436.46","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","(1R*,7aS*)-hexahydro-7-carboxymethyl-3H-pyrrolizidin-3-one","1-(5-Oxo-2,3,5,6,7,7a-hexahydro-1H-pyrrolizinyl)acetic acid","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","FG1513","Gerkin, Roger E.","Hydrogen bonding in [(1<i>R</i>*,7a<i>S</i>*)-hexahydro-5-oxo-1<i>H</i>-pyrrolizinyl-1-yl]acetic acid","Acta Crystallographica Section C","1999","55","1","84","87","10.1107/S0108270198010099","","","0.71073","MoKα","","","0.04","","","0.095","","","","","1.97","1.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008073","8.4254","0.0004","17.2278","0.0006","10.9291","0.0003","90","","96.164","0.002","90","","1577.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-benzoyl-1-ethyl-4-phenylpyrimidine-2-one","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","FR1134","Sema Öztürk; Mehmet Akkurt; İbrahim Abdul Razak; Hoong-Kun Fun; İsmail Yıldırım","5-Benzoyl-1-ethyl-4-phenyl-1<i>H</i>-pyrimidin-2-one","Acta Crystallographica Section C","1999","55","1","97","99","10.1107/S0108270198009822","","","0.71073","MoKα","","0.1788","0.0677","","0.121","0.0905","","","","1.009","1.204","1.204","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008074","7.864","0.002","6.964","0.002","24.361","0.006","90","","97.74","0.02","90","","1322","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trans-Dicarbonyl(2,3,5,6-tetrafluorophenyl)bromo((5-cyclopentadienyl)rhenium (III)","","- C13 H6 Br F4 O2 Re -","- C13 H6 Br F4 O2 Re -","- C52 H24 Br4 F16 O8 Re4 -","4","1","FR1143","María Teresa Garland; Ricardo F. Baggio; A. Hugo Klahn; Beatriz Oëlckers","<i>trans</i>-Bromodicarbonyl(η^5^-cyclopentadienyl)(2,3,5,6-tetrafluorophenyl)rhenium(III)","Acta Crystallographica Section C","1999","55","1","61","62","10.1107/S0108270198011494","","","0.71073","MoKα","","0.049","0.034","","","","0.088","","","","","","1.011","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008075","21.479","0.004","10.569","0.002","16.807","0.003","90","","90","","90","","3815.4","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Trans-carbonylchlorobis(tri-p-tolylphosphine)rhodium(I)","","- C43 H42 Cl O P2 Rh -","- C43 H42 Cl O P2 Rh -","- C172 H168 Cl4 O4 P8 Rh4 -","4","1","GD1000","Otto, Stefanus; Mzamane, Sibusisiwe N.; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis(tri-<i>p</i>-tolylphosphine)rhodium(I)","Acta Crystallographica Section C","1999","55","1","67","69","10.1107/S0108270198011603","","","0.71073","MoKα","","0.0416","0.0314","","","","0.0646","","","","","","1.163","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008076","8.2898","0.0002","9.752","0.0001","11.2391","0.0003","112.131","0.001","96.654","0.001","104.437","0.001","792.47","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Triethyl-1,3,5-benzenetriacetonitrile","","- C18 H21 N3 -","- C18 H21 N3 -","- C36 H42 N6 -","2","1","GD1001","Walsdorff, Christian; Park, Ki-Min; Oh, Jinho; Kim, Kimoon","1,3,5-Tris(cyanomethyl)-2,4,6-triethylbenzene","Acta Crystallographica Section C","1999","55","1","108","110","10.1107/S0108270198011615","","","0.71073","MoKα","","0.0589","0.0505","","","","0.1464","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008077","10.2979","0.0008","13.1101","0.0011","16.7038","0.0013","78.0476","0.0006","71.3989","0.0006","79.6493","0.0007","2075.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H58 N2 O4 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","2","GS1017","Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla","4-(2,5-Di-<i>tert</i>-butylphenylnitrilomethylidyne)-2-methoxyphenol","Acta Crystallographica Section C","1999","55","1","116","119","10.1107/S0108270198011573","","","0.71069","MoKα","","0.0833","0.0613","","0.162","0.133","","","","0.962","1.014","1.014","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008078","12.676","0.002","5.341","0.001","19.493","0.002","90","","107.42","0.01","90","","1259.2","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-bis(3-nitrophenyl)-1-triazene","1,3-bis(3-nitrophenyl)-1-triazene","","- C12 H9 N5 O4 -","- C12 H9 N5 O4 -","- C48 H36 N20 O16 -","4","1","HA1224","Zhang, De-Chun; Fei, Zheng-Hao; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Yu, Kai-Bei","1,3-Bis(3-nitrophenyl)triazene","Acta Crystallographica Section C","1999","55","1","102","104","10.1107/S0108270198010415","","","0.71073","MoKα","","0.0658","0.0381","","0.1184","0.0923","","","","0.901","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008079","57.344","0.002","9.7802","0.0004","10.6263","0.0005","90","","90","","90","","5959.6","0.4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Methyl-7,7a,13a,14-tetrahydrobenzo[1,4]dioxino[2,3;6,7]naphtho[1,2-b] pyran-2-one.","","- C20 H16 O4 -","- C20 H16 O4 -","- C320 H256 O64 -","16","1","HA1226","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","4-Methyl-7,7a,13a,14-tetrahydrobenzo[<i>e</i>]pyrano[2',3':5,6]naphtho[2,3-<i>b</i>][1,4]dioxin-2-one","Acta Crystallographica Section C","1999","55","1","91","92","10.1107/S0108270198010427","","","0.71073","MoKα","","0.1142","0.0653","","0.1547","0.1317","","","","1.042","1.134","1.134","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008080","8.0204","0.0003","27.1881","0.0011","8.942","0.0004","90","","106.332","0.001","90","","1871.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate","","- C12 H18 Co N6 O S2 -","- C12 H18 Co N6 O S2 -","- C48 H72 Co4 N24 O4 S8 -","4","1","HA1228","Xiao-Feng Chen; Shu-Hua Liu; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)bis(thiocyanato-<i>N</i>)cobalt(II) monohydrate","Acta Crystallographica Section C","1999","55","1","22","24","10.1107/S0108270198010142","","","0.71073","MoKα","","0.064","0.059","","0.135","0.132","","","","1.264","1.304","1.304","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008081","13.0323","0.0003","23.9443","0.0001","3.7927","0.0001","90","","90","","90","","1183.51","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Aminopyrimidine-Terephthalic acid (1:1) complex","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","0.5","HA1229","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Kumaresh Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","2-Aminopyrimidine‒terephthalic acid (1:1) complex","Acta Crystallographica Section C","1999","55","1","87","89","10.1107/S0108270198010749","","","0.71073","MoKα","","0.0532","0.0384","","0.1055","0.0939","","","","1.073","1.098","1.098","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008082","5.3172","0.0001","15.3099","0.0003","15.3406","0.0001","90","","91.846","0.001","90","","1248.17","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","HA1231","S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)","Acta Crystallographica Section C","1999","55","1","94","97","10.1107/S0108270198010750","","","0.71073","MoKα","","0.0667","0.049","","0.1487","0.1355","","","","1.07","1.143","1.143","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008083","11.1356","0.0005","9.5825","0.0005","12.4721","0.0006","90","","98.828","0.002","90","","1315.09","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-ethylene dinitrilodimethylidyne)diphenol","","- C28 H38 N4 O4 -","- C28 H38 N4 O4 -","- C56 H76 N8 O8 -","2","0.5","HA1231","S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy","2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)","Acta Crystallographica Section C","1999","55","1","94","97","10.1107/S0108270198010750","","","0.71073","MoKα","","0.1268","0.0646","","0.1749","0.1392","","","","1.037","1.135","1.135","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008084","7.797","0.0006","9.4921","0.0007","9.7074","0.0007","89.506","0.002","74.124","0.002","79.242","0.002","678.21","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","o-Chlorobenzaldehyde Nicotinoylhydrazone Dihydrate","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C26 H28 Cl2 N6 O6 -","2","1","HA1232","Zhong-lin Lu; Bei-sheng Kang; Hoong-Kun Fun; Ibrahim Abdul Razak; Kandasamy Chinnakali","<i>o</i>-Chlorobenzaldehyde nicotinoylhydrazone dihydrate","Acta Crystallographica Section C","1999","55","1","89","91","10.1107/S010827019801138X","","","0.71073","MoKα","","0.0798","0.0535","","","","0.1506","","","","","","1.043","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008085","9.3876","0.0001","12.4039","0.0002","12.755","0.0003","104.807","0.001","99.431","0.001","110.927","0.001","1286.54","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(4-tert-butyl-pyridine-2-carboxamido)-4,5-dichlorobenzene","","- C26 H28 Cl2 N4 O2 -","- C26 H28 Cl2 N4 O2 -","- C52 H56 Cl4 N8 O4 -","2","1","HA1233","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhen Shen; Jing-Lin Zuo; Xiao-Zeng You","<i>N</i>,<i>N</i>'-(4,5-Dichloro-<i>o</i>-phenylene)bis(4-<i>tert</i>-butylpyridine-2-carboxamide)","Acta Crystallographica Section C","1999","55","1","99","100","10.1107/S0108270198011445","","","0.71073","MoKα","","0.129","0.075","","","","0.176","","","","","","1.074","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008086","13.3256","0.0005","6.9775","0.0003","13.9402","0.0006","90","","113.881","0.002","90","","1185.19","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4-amino-5-mercapto-1,2,4-triazole derivative of p-nitro phenylaldehyde","","- C10 H9 N5 O2 S -","- C10 H9 N5 O2 S -","- C40 H36 N20 O8 S4 -","4","1","HA1234","Yuan-Fang Liu; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yin-Han Zhang; Fu-Xin Xie; Yu-Peng Tian; Shi-Sheng Ni","4-Amino-3-methyl-1,2,4-triazole-5-thione derivative of <i>p</i>-nitrophenylaldehyde","Acta Crystallographica Section C","1999","55","1","93","94","10.1107/S0108270198010762","","","0.71073","MoKα","","0.1853","0.0773","","0.1687","0.1301","","","","1.036","1.23","1.23","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008087","17.174","0.003","8.9483","0.0016","22.132","0.004","90","","99.313","0.013","90","","3356.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","octacarbonyl-1κ^3^C,2κ^3^C,3κ^2^C-bis(μ~3~-3,3-diphenylallenylidene -1:2κ^2^C^1^:3(1,2-η^2^))-triangulo-triiron(0)(3 Fe‒Fe)","","- C38 H20 Fe3 O8 -","- C38 H20 Fe3 O8 -","- C152 H80 Fe12 O32 -","4","1","JZ1302","Zachara, Janusz; Zimniak, Andrzej","A new polymorph of a carbonyliron complex from tetraphenylhexapentaene: bis(μ~3~,η^2^,σ^2^-diphenylallenylidene)octacarbonyltriiron","Acta Crystallographica Section C","1999","55","1","58","60","10.1107/S010827019801107X","","","0.71073","MoKα","","0.037","0.029","","0.074","0.071","0.074","","","1.033","","","1.033","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008088","10.2987","0.0008","10.1307","0.0006","11.1151","0.0008","90","","115.338","0.007","90","","1048.11","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,-Diamino-5-ammonio-1,3,5-trideoxy-cis-inositol iodide","","- C6 H16 I N3 O3 -","- C6 H16 I N3 O3 -","- C24 H64 I4 N12 O12 -","4","1","JZ1311","Guido J. Reiß; Kaspar Hegetschweiler; Jürgen Sander","1,3-Diamino-5-ammonio-1,3,5-trideoxy-<i>cis</i>-inositol iodide","Acta Crystallographica Section C","1999","55","1","123","126","10.1107/S0108270198009974","","","0.71073","MoKα","","0.027","0.025","","","","0.058","","","","","","1.079","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008089","15.0798","0.0016","7.5653","0.0005","12.6522","0.0014","90","","114.212","0.011","90","","1316.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II)","","- C9 H17 Cu N3 O6 -","- C9 H17 Cu N3 O6 -","- C36 H68 Cu4 N12 O24 -","4","1","JZ1313","Warda, Salam A.","Polymeric aqua(<i>N</i>-ethylurea-<i>O</i>)(<i>N</i>-pyruvidene-β-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","1","52","54","10.1107/S0108270198010166","","","0.71073","MoKα","","","0.029","","","","0.059","","","","","","0.903","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008090","8.0916","0.0009","8.0916","0.0009","30.078","0.004","90","","90","","90","","1969.3","0.4","293","2","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2-(2-Pyrrolyl)-benzothiazole","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C88 H64 N16 S8 -","8","1","KA1289","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Fišer-Jakić, Lelja","2-(2-Pyrrolyl)-1,3-benzothiazole","Acta Crystallographica Section C","1999","55","1","119","120","10.1107/S0108270198011731","","","0.71073","MoKα","","0.2326","0.0552","","","","0.0865","","","","","","0.899","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008091","21.331","0.004","12.203","0.002","20.881","0.004","90","","92.26","0.03","90","","5431.1","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(FN2O4)2","35,44-difluoro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8(3,12)8(20,29)3(1,31)1(1,31)1(14,18)]dopentaconta -14,16,18(44),31,33,1(35)-hexene","","- C42 H62 Cs2 F8 N4 O14 S2 -","- C42 H62 Cs2 F8 N4 O14 S2 -","- C168 H248 Cs8 F32 N16 O56 S8 -","4","0.5","KA1299","Plenio, Herbert; Hermann, Jorg","A cylindrical macrocycle with two caesium cations sandwiched between two diaza-18-crown-6 macrocycles","Acta Crystallographica Section C","1999","55","1","62","64","10.1107/S0108270198011755","","","0.71069","MoKα","","0.0588","0.0365","","","","0.107","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008092","7.3502","0.0013","12.0783","0.0015","12.476","0.007","80.28","0.03","79.53","0.03","72.713","0.013","1032.1","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","Chloro-(N,N'-bis(2-methylpyridyl)-1,5-diazacyclooctane) nickel(II) perchlorate","","- C18 H24 Cl2 N4 Ni O4 -","- C18 H24 Cl2 N4 Ni O4 -","- C36 H48 Cl4 N8 Ni2 O8 -","2","1","LN1060","Bu, Xian-He; Fang, Ya-Yin; Shang, Zhi-Liang; Zhang, Ruo-Hua; Zhu, Hong-Ping; Liu, Qiu-Tian","[1,5-Bis(2-pyridylmethyl-<i>N</i>)-1,5-diazacyclooctane-<i>N</i>,<i>N</i>']chloronickel(II) perchlorate","Acta Crystallographica Section C","1999","55","1","39","41","10.1107/S0108270198010841","","","0.71073","MoKα","","","0.0481","","","0.0609","","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008093","7.532","0.005","13.278","0.002","23.7103","0.001","90","","90","","90","","2371.3","1.6","122","0.5","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-nitrophenyl)-4-phenylbutadiyne","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C128 H72 N8 O16 -","8","1","LN1068","Hanne Skov Bengaard; Sine Larsen; Henning Osholm Sørensen; Kathryn J. Robinson; John D. Wallis","Interaction between an oxygen and an alkynyl-carbon atom in 1-(2-nitrophenyl)-4-phenylbutadiyne","Acta Crystallographica Section C","1999","55","1","106","108","10.1107/S0108270198010853","","","1.5418","CuKα","","0.0385","0.0364","","0.0888","0.0885","","","","3.456","3.572","3.572","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008094","8.956","0.002","11.76","0.003","8.781","0.002","103.2","0.03","108.6","0.04","91.4","0.03","848.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Methylpiperazinium Trichloro(N-methylpiperazine-N^1^)cobaltate(II)","","- C10 H25 Cl3 Co N4 -","- C10 H25 Cl3 Co N4 -","- C20 H50 Cl6 Co2 N8 -","2","1","NA1379","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Cobalt(II) complexes of piperazine and derivatives: 1-methylpiperazin-4-ium trichloro(1-methylpiperazine-<i>N</i>^4^)cobaltate(II)","Acta Crystallographica Section C","1999","55","1","43","46","10.1107/S0108270198009603","","","0.7107","MoKα","","0.055","0.033","","0.097","0.086","","","","1.073","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008095","12.406","0.002","14.313","0.002","15.299","0.002","90","","90","","90","","2716.6","0.7","300","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","(R)-1,1'-binaphthyl-2,2'-diol-(R,R)-1,2-cyclohexanediamine-toluene (1/1/1)","","","- C33 H36 N2 O2 -","- C33 H44 N2 O2 -","- C132 H176 N8 O8 -","4","0.5","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.076","","","","0.086","","","","","","1.41","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008096","8.056","0.001","13.552","0.001","10.822","0.001","90","","111.53","0.01","90","","1099.1","0.2","300","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2,2'-dihydroxy-1,1'-binaphthyl (R,R)-1,2-cyclohexanediamine","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C52 H56 N4 O4 -","2","1","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.056","","","","0.065","","","","","","1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008097","12.146","0.003","12.682","0.006","10.842","0.008","115.26","0.04","93.17","0.04","86.49","0.03","1506.7","1.5","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C27 H37 N3 O4 S3 Zn -","- C27 H37 N3 O4 S3 Zn -","- C54 H74 N6 O8 S6 Zn2 -","2","2","OA1049","Nakai, Hiroshi; Kobayashi, Shinobu; Ozaki, Mamoru; Hayase, Yoshio; Takeda, Reiji","Micacocidin A","Acta Crystallographica Section C","1999","55","1","54","56","10.1107/S0108270198010920","","","0.7107","MoKα","","0.055","0.055","","","","0.065","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008098","15.146","0.006","10.936","0.004","4.328","0.001","90","","97.5","0.02","90","","710.7","0.4","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","1","OA1063","Takehiro Matsunaga; Yoshio Ohno; Yoshiaki Akutsu; Mitsuru Arai; Masamitsu Tamura; Mitsuaki Iida","1-Phenyltetrazole","Acta Crystallographica Section C","1999","55","1","129","131","10.1107/S0108270198009718","","","0.71073","MoKα","","","0.053","","","","0.041","","","","","","1.406","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008099","19.87","0.007","4.731","0.007","14.813","0.007","90","","121.98","0.04","90","","1181","2","296.2","","296.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","β phthalocyanine","","- C32 H18 N8 -","- C32 H18 N8 -","- C64 H36 N16 -","2","0.5","OA1066","Shinya Matsumoto; Keiji Matsuhama; Jin Mizuguchi","β Metal-free phthalocyanine","Acta Crystallographica Section C","1999","55","1","131","133","10.1107/S0108270198011020","","","0.7107","MoKα","","0.1018","0.0552","","0.0688","0.0592","","","","1.124","1.182","1.182","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008100","4.1662","0.0003","4.1662","0.0003","8.2085","0.0007","90","","90","","90","","142.477","0.019","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Nb3.47 O6 Ti0.53 -","- Ba Nb3.466 O6 Ti0.534 -","- Ba Nb3.466 O6 Ti0.534 -","1","0.0625","OS1024","Svensson, Gunnar; Eriksson, Lars","BaNb~4-<i>x~</i>Ti~<i>x~</i>O~6~ (<i>x</i> = 0.53)","Acta Crystallographica Section C","1999","55","1","17","19","10.1107/S0108270198010932","","","0.71073","MoKα","","0.021","0.016","","0.028","","0.027","","","1.128","","","1.185","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008101","8.2535","0.0001","9.2084","0.0001","5.161","0.0001","90","","90","","90","","392.244","0.01","293","","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","","- Ba Ca Ga4 O8 -","- Ba Ca Ga4 O8 -","- Ba2 Ca2 Ga8 O16 -","2","0.25","OS1030","Shun-ich Kubota; Hisanori Yamane; Masahiko Shimada","A powder diffraction study of BaCaGa~4~O~8~","Acta Crystallographica Section C","1999","55","1","14","17","10.1107/S0108270198010178","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008102","27.447","0.009","20.311","0.006","18.718","0.005","90","","90","","90","","10435","5","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","aquatetrakis[(4-chlorobenzoato)-μ~3~-(2-dimethylaminoethanolato)- copper(II)] hydrate","","- C44 H60 Cl4 Cu4 N4 O14 -","- C44 H60 Cl4 Cu4 N4 O14 -","- C352 H480 Cl32 Cu32 N32 O112 -","8","1","OS1032","Turpeinen, Urho; Hämälänen, Reijo; Mutikainen, Ilpo","Aquatetrakis[(4-chlorobenzoato)(μ~3~-2-dimethylaminoethanolato)copper(II)] hydrate","Acta Crystallographica Section C","1999","55","1","50","52","10.1107/S0108270198011457","","","0.71073","MoKα","","0.114","0.075","","","0.133","0.147","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008103","12.3698","0.0005","12.3698","0.0005","49.306","0.003","90","","90","","90","","7544.4","0.6","100","2","100","2","","","","","","","","6","P 41","P 4w","76","Ru-bis(terpyridine)(PF~6~)~2~","Bis(2,2',6':2''-terpyridine)Ru(II)(PF~6~)~2~ acetonitrile solvate","","- C34 H28 F12 N8 P2 Ru -","- C34 H28 F12 N8 P2 Ru -","- C272 H224 F96 N64 P16 Ru8 -","8","2","OS1037","Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby","Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate","Acta Crystallographica Section C","1999","55","1","64","67","10.1107/S0108270198011378","","","0.71073","MoKα","","0.0579","0.0543","","","","0.1481","","","","","","1.064","","","","has coordinates,has disorder","191016","2020-10-21","18:00:00",""
"2008104","10.794","0.003","5.054","0.002","27.143","0.01","90","","90.26","0.05","90","","1480.7","0.9","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(2SR,5RR,6RR,9SR)-1,2,5,6,9,10-hexachlorodecane","","- C10 H16 Cl6 -","- C10 H16 Cl6 -","- C40 H64 Cl24 -","4","0.5","QA0048","Frenzen, Gerlinde; Sippel, Heike; Coelhan, Mehmet","The relative configuration of a stereoisomer of 1,2,5,6,9,10-hexachlorodecane","Acta Crystallographica Section C","1999","55","1","IUC9800079","","10.1107/S0108270199099965","","","0.71073","MoKα","","0.068","0.051","","","","0.146","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008105","7.0459","0.0014","9.3399","0.0014","12.913","0.003","90","","92.72","0.02","90","","848.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","m-Azidobenzensulfonyl chloride","","- C6 H4 Cl N3 O2 S -","- C6 H4 Cl N3 O2 S -","- C24 H16 Cl4 N12 O8 S4 -","4","1","QA0068","Ziemer, Burkhard; Sauer, Erika","<i>m</i>-Azidobenzenesulfonyl chloride","Acta Crystallographica Section C","1999","55","1","IUC9800074","","10.1107/S0108270199099953","","","0.71073","MoKα","","0.037","0.032","","0.094","0.086","","","","1.037","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008106","11.329","0.003","6.6648","0.0016","12.995","0.003","90","","112.821","0.016","90","","904.4","0.4","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","6,7-Dimethyltricyclo[3.2.2.0]non-6-ene","","- C11 H16 -","- C11 H16 -","- C44 H64 -","4","1","QA0072","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","6,7-Dimethyltricyclo[3.2.2.0]non-6-ene at 120 K, a [3.2.2]propellane derivative","Acta Crystallographica Section C","1999","55","1","IUC9800075","","10.1107/S0108270199099941","","","0.71073","MoKα","","0.0546","0.0467","","","","0.1347","","","","","","1.056","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008107","13.455","0.005","30.61","0.01","6.694","0.005","90","","90","","90","","2757","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-hydroxy tricyclo[5.3.1^1,7^.0^1,5^]undecan-9-one","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","QA0073","Ai, Hui; Song, Yi-Lin; Tao, Feng-Gang","8-Hydroxycedran-9-one","Acta Crystallographica Section C","1999","55","1","IUC9800080","","10.1107/S010827019909993X","","","0.7107","MoKα","","","0.056","","","0.057","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008108","8.649","0.002","9.679","0.002","15.721","0.002","90","","94.82","0.01","90","","1311.4","0.4","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 O2 S5 -","- C12 H4 O2 S5 -","- C48 H16 O8 S20 -","4","1","QA0074","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari","1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue","Acta Crystallographica Section C","1999","55","1","IUC9800077","","10.1107/S0108270199099928","","","1.5418","CuKα","","0.041","0.041","","","","0.061","","","","","","1.272","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008109","7.946","0.004","10.2","0.003","15.638","0.003","90","","104.3","0.02","90","","1228.2","0.8","293.2","","293.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 O3 S4 -","- C12 H4 O3 S4 -","- C48 H16 O12 S16 -","4","1","QA0074","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari","1,3,4,6-Tetrathiapentalene-5-spiro-2'-indan-2,1',3'-trione and its 2-thione analogue","Acta Crystallographica Section C","1999","55","1","IUC9800077","","10.1107/S0108270199099928","","","1.5418","CuKα","","0.039","0.039","","","","0.06","","","","","","1.312","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008110","11.15","0.002","9.028","0.002","25.637","0.005","90","","91.37","0.03","90","","2579.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(ClN2O4)2 - 2AgCF3SO3","μ-[35,44-dichloro-6,9,23,26,38,41,47,50-octaoxa-3,12,20,29-tetraaza- pentacyclo[29.8^3,12^.8^20,29^.3^1,31^.1^1,31^.1^14,18^]dopentaconta -14,16,18(44),31,33,1(35)-hexene]disilver(I) bis(triflate)","","- C42 H62 Ag2 Cl2 F6 N4 O14 S2 -","- C42 H62 Ag2 Cl2 F6 N4 O14 S2 -","- C84 H124 Ag4 Cl4 F12 N8 O28 S4 -","2","0.5","QA0077","Plenio, Herbert; Diodone, Ralph","A cylindrical macrocycle with two diaza-18-crown-6 macrocycles encapsulating two silver cations","Acta Crystallographica Section C","1999","55","1","IUC9800081","","10.1107/S0108270199099990","","","0.71069","MoKα","","0.038","0.028","","","","0.072","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008111","12.2502","0.0016","6.5155","0.0011","12.415","0.002","90","","108.866","0.011","90","","937.7","0.3","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Tricarbonyl(2,3,6,7-η)-(2,3-diylidenfurane)-iron(0)","","- C9 H6 Fe O4 -","- C9 H6 Fe O4 -","- C36 H24 Fe4 O16 -","4","1","QA0078","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Tricarbonyl[(2,3,6,7-η)-2,3-dimethylene-2,3-dihydrofuran]iron(0) at 120K","Acta Crystallographica Section C","1999","55","1","IUC9800082","","10.1107/S0108270199099989","","","0.71073","MoKα","","0.031","0.03","","","","0.081","","","","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008112","8.146","0.001","8.927","0.001","9.29","0.001","101.14","0.01","100.95","0.01","102.78","0.01","627.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-phenoxymethanesulfonanilide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C26 H26 N2 O6 S2 -","2","1","QB0069","Chandramohan, Kattamuri; Ravikumar, Krishnan","A nimesulide intermediate","Acta Crystallographica Section C","1999","55","1","IUC9800078","","10.1107/S0108270199099916","","","0.71073","MoKα","","0.051","0.04","","0.116","0.108","","","","1.036","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008113","15.193","0.002","15.193","0.002","17.273","0.003","90","","90","","90","","3987.1","1","100","","100","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(μ-hydroxo)tris(trimethyltin) iodide","","- C9 H29 I O2 Sn3 -","- C9 H29 I O2 Sn3 -","- C72 H232 I8 O16 Sn24 -","8","0.5","QB0070","Saurage, Andrea S.; Billodeaux, Damon R.; Hammer, Robert P.; Fronczek, Frank R.","Di-μ-hydroxo-tris(trimethyltin) iodide at 100K","Acta Crystallographica Section C","1999","55","1","IUC9800076","","10.1107/S0108270199099977","","","0.71073","MoKα","","0.061","0.034","","","","0.072","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008114","9.0306","0.001","6.6484","0.001","12.8","0.002","90","","96.88","0.01","90","","762.97","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Potassium bromoaurate","Potassium tetrabromoaurate III","","- Au Br4 K -","- Au Br4 K -","- Au4 Br16 K4 -","4","1","SK1203","Omrani, Hedi; Welter, Richard; Vangelisti, Rene","Potassium tetrabromoaurate(III)","Acta Crystallographica Section C","1999","55","1","13","14","10.1107/S010827019801110X","","","0.5608","AgKα","","0.09","0.042","","","","0.101","","","","","","1.032","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008115","14.936","0.001","14.936","0.001","9.913","0.001","90","","90","","120","","1915.2","0.3","293","","293","","","","","","","","","5","P -3","-P 3","147","","(1,4,7-Tris(3-tert-butyl-5-methyl-2-hydroxybenzyl)-1,4, 7-triazacyclononanato-N,N',N'',O,O',O'')chromium(III)","","- C42 H60 Cr N3 O3 -","- C42 H60 Cr N3 O3 -","- C84 H120 Cr2 N6 O6 -","2","0.333333","SK1214","Martin, Lisandra L.; Taylor, Max R.; Bei Wu","[1,4,7-Tris(3-<i>tert</i>-butyl-5-methyl-2-hydroxybenzyl)-1,4,7-triazacyclononanato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>,<i>O</i>',<i>O</i>'']chromium(III)","Acta Crystallographica Section C","1999","55","1","41","43","10.1107/S0108270198010956","","","0.71073","MoKα","","0.074","0.062","","0.095","0.091","","","","1.237","1.247","1.247","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008116","9.202","0.001","18.87","0.003","19.138","0.002","90","","90","","90","","3323.2","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C144 H152 N8 O16 S16 -","8","1","SK1227","Hökelek, Tuncer; Patır, Süleyman; Uludağ, Nesi̇mi̇","9-Acetonyl-3-ethylidene-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-one","Acta Crystallographica Section C","1999","55","1","114","116","10.1107/S0108270198011019","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008117","13.7343","0.0002","6.1274","0.0002","25.2459","0.0007","90","","92.277","0.001","90","","2122.91","0.1","203","2","203","2","","","","","","","","3","C 1 2 1","C 2y","5","Scalarolide","12β-hydroxyscalar-17-en-20,19-olide","","- C25 H38 O3 -","- C25 H38 O3 -","- C100 H152 O12 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.1057","0.085","","","0.226","0.2453","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008118","6.3833","0.0003","10.9108","0.0006","37.2967","0.0019","90","","90","","90","","2597.6","0.2","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Scalarin","12α-acetoxy-19α-hydroxyscalar-19,20-olide methanol solvate","","- C28 H44 O6 -","- C28 H44 O6 -","- C112 H176 O24 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.0934","0.0565","","","","0.1346","","","","","","1.076","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008119","9.233","0.005","12.952","0.003","13.943","0.005","90","0.3","105.93","0.01","90","","1603.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","VJ1085","S. Deepthi; Vasantha Pattabhi; K.Nagarajan","1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid","Acta Crystallographica Section C","1999","55","1","100","102","10.1107/S0108270198010373","","","1.5418","CuKα","","0.0421","0.0361","","0.108","0.1031","","","","1.102","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008120","7.713","0.002","8.674","0.001","28.325","0.006","90","","90","","90","","1895","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ter-butoxy carbonyl L-Leucyl-L-Threonyl amide","","- C15 H29 N3 O5 -","- C15 H28 N3 O5 -","- C60 H112 N12 O20 -","4","1","VJ1089","S. Banumathi; D. Velmurugan; E. Subramanian; N. Ashish; R. Kishore","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-threoninamide","Acta Crystallographica Section C","1999","55","1","78","79","10.1107/S0108270198010385","","","1.5418","CuKα","","0.0619","0.059","","","","0.1759","","","","","","1.008","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008121","6.462","0.001","33.014","0.007","10.457","0.002","90","","93.3","0.03","90","","2227.2","0.7","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","isoavarol diacetate","2-(perhydro-1,2,4a-trimethyl-5-methylene-1-naphthylmethyl)-p-phenylene diacetate","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","2","AV1024","Ilyin, Sergey G.; Shubina, Larisa K.; Stonik, Valentine A.; Antipin, Michael Yu.","Isoavarol diacetate","Acta Crystallographica Section C","1999","55","2","266","268","10.1107/S0108270198010993","","","0.71069","MoKα","","0.084","0.05","","0.076","","0.066","","","3.555","","","3.385","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008122","5.621","0.001","8.766","0.001","4.797","0.001","90","","90","","90","","236.37","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","cobalt ammonium hydrate phosphate","","- Co H6 N O5 P -","- Co H6 N O5 P -","- Co2 H12 N2 O10 P2 -","2","0.5","AV1025","Yakubovich, Olga V.; Karimova, Oksana V.; Dimitrova, Olga V.; Massa, Werner","Layer structure of (NH~4~)CoPO~4~","Acta Crystallographica Section C","1999","55","2","151","153","10.1107/S0108270198011639","","","0.71073","MoKα","","0.0152","0.0145","","","","0.0368","","","","","","1.145","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008123","14.348","0.006","11.493","0.006","13.936","0.006","90","","95.43","0.04","90","","2287.8","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-bipyridine)bis(1,3-diaminopropane)nickel(II) perchlorate","","- C16 H28 Cl2 N6 Ni O8 -","- C16 H28 Cl2 N6 Ni O8 -","- C64 H112 Cl8 N24 Ni4 O32 -","4","0.5","BK1408","Tong, Ye-Xiang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","<i>catena</i>-Poly[[[bis(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II)]-μ-(4,4'-bipyridine-<i>N</i>:<i>N</i>')] diperchlorate]","Acta Crystallographica Section C","1999","55","2","180","182","10.1107/S0108270198011482","","","0.71073","MoKα","","0.046","0.035","","0.091","0.084","","","","1.07","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008124","9.2836","0.0012","11.4842","0.0013","13.7777","0.0012","106.896","0.002","90.436","0.003","93.93","0.002","1401.6","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N12 O41 Sm2 -","- C42 H30 N12 O42 Sm2 -","- C42 H30 N12 O42 Sm2 -","1","0.5","BM1246","Arici, Cengiz; Ülkü, Dinçer; Tahir, M. Nawaz; Ünaleroḡlu, Canan","Samarium 3,5-dinitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","2","198","200","10.1107/S0108270198012323","","","0.71073","MoKα","","","0.035","","","0.038","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008125","9.088","0.002","8.108","0.002","10.505","0.002","90","","102.14","0.01","90","","756.8","0.3","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C20 H40 N8 O12 S4 -","4","1","BM1255","Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.","Two new compounds by reaction of taurolidine with methylene glycol","Acta Crystallographica Section C","1999","55","2","232","234","10.1107/S0108270198008415","","","0.71069","MoKα","","0.111","0.048","","0.058","0.051","","","","","1.578","1.578","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008126","14.53","0.001","8.0567","0.0008","15.928","0.002","90","","101.642","0.008","90","","1826.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 N6 O6 S3 -","- C12 H24 N6 O6 S3 -","- C48 H96 N24 O24 S12 -","4","1","BM1255","Kennedy, Alan R.; Skellern, Graham G.; Pfirrmann, Rolf W.; Smail, Gordon A.; Shankland, Norman; Florence, Alastair J.","Two new compounds by reaction of taurolidine with methylene glycol","Acta Crystallographica Section C","1999","55","2","232","234","10.1107/S0108270198008415","","","0.71069","MoKα","","0.067","0.038","","0.058","0.054","","","","","1.972","1.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008127","10.6849","0.0002","15.7703","0.0004","17.7065","0.0004","89.543","0.001","72.857","0.001","71.607","0.001","2693.49","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloro(1,1'-bis(diphenylphosphine oxide)methane-p',p'')antimony(III)","","- C25 H22 Cl3 O2 P2 Sb -","- C25 H22 Cl3 O2 P2 Sb -","- C100 H88 Cl12 O8 P8 Sb4 -","4","2","BM1263","Ibrahim Abdul Razak; Hoong-Kun Fun; Bohari M. Yamin; Kandasamy Chinnakali; Hasbullah Zakaria; Norismaliza Binti Ismail","Trichloro[methylenebis(diphenylphosphine oxide-<i>O</i>)]antimony(III)","Acta Crystallographica Section C","1999","55","2","172","174","10.1107/S0108270198012335","","","0.71073","MoKα","","0.045","0.035","","","","0.081","","","","","","1.095","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008128","12.316","0.002","9.606","0.002","18.296","0.003","90","","103.77","0.02","90","","2102.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Flemiculosin","6-cinnamoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","BM1267","Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Cantoni, Andrea; Ray, Anil B; Neogi, Partha; Mazumdar, Gauri","Flemiculosin, a novel chalcone","Acta Crystallographica Section C","1999","55","2","215","217","10.1107/S0108270198011421","","","1.54178","CuKα","","0.0814","0.0583","","0.2302","0.1838","","","","1.003","1.103","1.103","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008129","7.2264","0.0009","8.025","0.0018","16.5902","0.0012","90","","92.052","0.008","90","","961.5","0.3","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","BM1270","Finnie, Stuart; Kennedy, Alan R.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Sherwood, John N.","<i>para</i>-Acetoxyacetanilide","Acta Crystallographica Section C","1999","55","2","234","236","10.1107/S0108270198012852","","","0.71069","MoKα","","0.1146","0.0436","","","","0.1467","","","","","","0.997","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008130","7.3402","0.0013","8.7066","0.0013","11.179","0.002","70.591","0.016","81.513","0.018","71.158","0.017","637.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 Cu O12 -","- C7 H14 Cu O12 -","- C14 H28 Cu2 O24 -","2","1","BM1282","Manojlović-Muir, Ljubica; Muir, Kenneth W.; Campbell, Robert A.; McKendrick, John E.; Robins, David J.","Pentaaqua(chelidonato-<i>O</i>^4^)copper(II) monohydrate","Acta Crystallographica Section C","1999","55","2","178","180","10.1107/S0108270198011895","","","0.71073","MoKα","","0.034","0.032","","","","0.088","","","","","","1.089","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008131","10.857","0.003","11.2892","0.0009","18.5162","0.0009","90","","90","","90","","2269.5","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-benzyl-2-hydroxycyclohexanone","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","BM1297","McCullough, Kevin J.; Perner, Iris; Rosair, Georgina M.","2-Benzyl-2-hydroxycyclohexanone","Acta Crystallographica Section C","1999","55","2","268","270","10.1107/S0108270198013869","","","0.71073","MoKα","","0.0882","0.0493","","","","0.135","","","","","","1.015","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008132","5.710728","0.000016","5.710728","0.000016","21.44383","0.0001","90","","90","","120","","605.642","0.004","295","","295","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba3 Mn2 O8 -","- Ba3 Mn2 O8 -","- Ba9 Mn6 O24 -","3","0.0833333","BR1210","Weller, Mark T.; Skinner, Stephen J.","Ba~3~Mn~2~O~8~ determined from neutron powder diffraction","Acta Crystallographica Section C","1999","55","2","154","156","10.1107/S0108270198011871","","neutron","","neutron","","","0.064","","","0.07","","","","","1.7","1.7","","","","","has coordinates","188601","2020-10-21","18:00:00",""
"2008133","6.777","0.001","4.915","0.001","8.455","0.002","90","","91.11","0.03","90","","281.57","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","ammonium oxovanadium(IV) phosphate ammonia","ammonium oxovanadium(IV) phosphate ammonia","","- H7 N2 O5 P V -","- H7 N2 O5 P V -","- H14 N4 O10 P2 V2 -","2","1","BR1216","Fratzky, Dietmar; Worzala, Horst; Goetze, Thomas; Meisel, Manfred","NH~4~VO(NH~3~)PO~4~","Acta Crystallographica Section C","1999","55","2","156","157","10.1107/S0108270198011123","","","0.71073","MoKα","","0.05","0.034","","","","0.07","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008134","7.756","0.006","17.107","0.002","6.09","0.002","90","","90","","90","","808","0.7","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","CF1254","Okabe, Nobuo; Adachi, Yukari","(<i>S</i>)-2-Hydroxy-3-(1<i>H</i>-imidazol-5-yl)propanoic acid hydrate","Acta Crystallographica Section C","1999","55","2","217","218","10.1107/S0108270198012542","","","0.71069","MoKα","","","0.06","","","0.107","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008135","20.745","0.002","9.921","0.001","9.232","0.001","90","","101.15","0.01","90","","1864.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C80 H72 N32 O8 -","4","1","CF1258","Nieuwenhuyzen, M.; Keirse, R.; Shaw, B.; Vos, J. G.","A 2:1 co-crystal of 5-(2-pyridyl)-1<i>H</i>-1,2,4-triazole and 1,4-dihydroxybenzene","Acta Crystallographica Section C","1999","55","2","264","266","10.1107/S0108270198012359","","","0.71073","MoKα","","0.053","0.038","","0.095","0.085","","","","1.04","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008136","7.442","0.001","18.29","0.001","10.284","0.001","90","","104.74","0.01","90","","1353.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-diaquabis(nicotinamide-N)bis(salicylato-O)copper(II)","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","1","CF1276","Petrovčič, Nina; Kozlevčar, Bojan; Golič, Ljubo; Leban, Ivan; Šegedin, Primož","<i>trans</i>-Diaquabis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","2","176","178","10.1107/S0108270198011640","","","0.71073","MoKα","","0.0555","0.034","","","","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008137","24.1291","0.0003","8.4281","0.0001","20.6083","0.0003","90","","90","","90","","4190.95","0.09","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetra(acetonitrile-N)lithium perchlorate","","- C8 H12 Cl Li N4 O4 -","- C8 H12 Cl Li N4 O4 -","- C96 H144 Cl12 Li12 N48 O48 -","12","3","DA1013","Yokota, Yasuno; Young Jr, Victor G.; Verkade, John G.","The homoleptic lithium complex [Li(CH~3~CN)~4~]ClO~4~","Acta Crystallographica Section C","1999","55","2","196","198","10.1107/S0108270198011834","","","0.71073","MoKα","","0.083","0.057","","","","0.116","","","","1.113","1.113","1.053","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008138","21.1645","0.0001","21.1645","0.0001","28.9378","0.0001","90","","90","","120","","11225.7","0.08","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","cuprous bromide triphenylphosphite cubane tetramer","tetra-μ~3~-bromo-tetrakis[(triphenyl phosphite-P)copper(I)]","","- C72 H60 Br4 Cu4 O12 P4 -","- C72 H60 Br4 Cu4 O12 P4 -","- C432 H360 Br24 Cu24 O72 P24 -","6","0.333333","DA1019","Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.","Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite","Acta Crystallographica Section C","1999","55","2","162","165","10.1107/S0108270198012451","","","0.71073","MoKα","","0.08","0.048","","0.147","","0.147","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008139","14.6643","0.0002","22.6409","0.0003","22.6645","0.0001","90","","107.434","0.001","90","","7179.23","0.15","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cuprous chloride triphenylphosphite cubane tetramer","tetra-μ~3~-chloro-tetrakis[(triphenyl phosphite-P)copper(I)]","","- C72 H60 Cl4 Cu4 O12 P4 -","- C72 H60 Cl4 Cu4 O12 P4 -","- C288 H240 Cl16 Cu16 O48 P16 -","4","1","DA1019","Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.","Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite","Acta Crystallographica Section C","1999","55","2","162","165","10.1107/S0108270198012451","","","0.71073","MoKα","","0.1","0.049","","","","0.111","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008140","9.31","0.002","11.341","0.004","11.887","0.003","102.01","0.02","97.05","0.02","104.81","0.02","1166.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","μ-[1,1'-(1,2-Ethanediyl)bis(1,2,4-1H-triazole)]-N^4^:N^4^'-bis{[1,1,1- trifluoro-3-(2-thenoyl)acetonato-O,O']copper(II)}","","- C38 H24 Cu2 F12 N6 O8 S4 -","- C38 H24 Cu2 F12 N6 O8 S4 -","- C38 H24 Cu2 F12 N6 O8 S4 -","1","0.5","DA1029","Baolong Li; Jianzhong Zou; Chunying Duan; Yongjiang Liu; Xianwen Wei; Zheng Xu","μ-[1,1'-(1,2-Ethanediyl)bis(1<i>H</i>-1,2,4-triazole)]-<i>N</i>^4^:<i>N</i>^4'^-bis{bis[1,1,1-trifluoro-3-(2-thenoyl)acetonato-<i>O</i>,<i>O</i>']copper(II)}","Acta Crystallographica Section C","1999","55","2","165","167","10.1107/S0108270198011846","","","0.71073","MoKα","","0.051","0.038","","0.123","0.109","","","","1.013","1.022","1.022","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008141","8.038","0.002","20.482","0.004","13.677","0.003","90","","91.76","0.02","90","","2250.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 Cr O4 -","- C28 H18 Cr O4 -","- C112 H72 Cr4 O16 -","4","1","DA1035","Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard","Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium","Acta Crystallographica Section C","1999","55","2","200","202","10.1107/S0108270198012104","","","0.71073","MoKα","","0.0441","0.0397","","0.0789","0.0773","","","","0.808","0.987","0.987","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008142","6.866","0.003","9.101","0.004","9.927","0.004","100.62","0.02","90.85","0.03","109.34","0.02","573.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Ni(Me6trans[14]teteneN4)](ClO4)2","[Nickel(II)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca- -1,4,8,11-tetraene)]diperchlorate","","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","- C16 H28 Cl2 N4 Ni O8 -","1","0.5","DA1042","Gómez-Lara, Jacobo; Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simon","(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetraene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","2","160","162","10.1107/S0108270198012116","","","0.71073","MoKα","","0.0747","0.0562","","","","0.1564","","","","","","0.943","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008143","6.229","0.002","7.3544","0.0007","15.137","0.003","90.8","0.01","97.34","0.02","113.63","0.01","628.5","0.3","293","1","293","1","","","","","","","","3","P 1","P 1","1","Taraxerone","Taraxerone","","- C30 H48 O -","- C30 H48 O -","- C30 H48 O -","1","1","DA1044","Parvez, Masood; Gul, Waseem; Yousaf, Mohammad; Choudhary, M. Iqbal; Atta-ur-Rahman; Khan, M. Riaz","Taraxerone","Acta Crystallographica Section C","1999","55","2","213","215","10.1107/S0108270198012463","","","1.54178","CuKα","","0.059","0.055","","","","0.148","","","","","","1.06","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008144","6.685","0.002","13.2357","0.0011","14.8763","0.0019","93.677","0.009","98.114","0.016","90.359","0.014","1300.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","2","DE1090","Satyen Saha; Anunay Samanta","4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole","Acta Crystallographica Section C","1999","55","2","252","254","10.1107/S0108270198012128","","","0.71073","MoKα","","0.083","0.05","","","","0.148","","","","","","0.998","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008145","24.772","0.005","10.165","0.002","15.362","0.003","90","","120.68","0.03","90","","3326.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(MALONATE)(AQUA)(5,6-DIMETHYL-1,10'PHENANTHROLINE) COPPER (II) HYDRATE","","- C34 H36 Cu2 N4 O12 -","- C17 H18 Cu N2 O6 -","- C136 H144 Cu8 N16 O48 -","8","1","FR1113","Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(5,6-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) hydrate","Acta Crystallographica Section C","1999","55","2","158","160","10.1107/S0108270198009937","","","0.71073","MoKα","","0.056","0.032","","","","0.096","","","","","","1.057","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008146","6.5453","0.0006","7.5995","0.0008","24.855","0.003","90","","95.46","0.02","90","","1230.7","0.2","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","FR1126","Moreno-Fuquen, Rodolfo; Valderrama-Naranjo, Jaime; Montaño, Angela Marcela","A 1:1 complex of 4-nitropyridine <i>N</i>-oxide and 3-hydroxybenzoic acid","Acta Crystallographica Section C","1999","55","2","218","220","10.1107/S0108270198009949","","","0.71073","MoKα","","0.083","0.038","","0.117","0.084","","","","1.114","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008147","10.253","0.001","11.2035","0.0009","8.008","0.001","90","","90","","90","","919.87","0.16","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminohippuric acid","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","FR1150","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in 4-aminohippuric acid","Acta Crystallographica Section C","1999","55","2","206","208","10.1107/S0108270198011767","","","0.71073","MoKα","","","0.036","","","0.059","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008148","7.0863","0.0005","4.3394","0.0006","13.2126","0.0006","90","","90.147","0.005","90","","406.29","0.07","296","","296","","","","","","","","","3","I 1 2 1","I 2y","5","(+)-tartaric acid dimethyl ether","(2R,3R)-(+)-2,3-dimethoxybutanedioic acid","","- C6 H10 O6 -","- C6 H10 O6 -","- C12 H20 O12 -","2","0.5","FR1158","Gerkin, Roger E.","Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether]","Acta Crystallographica Section C","1999","55","2","209","211","10.1107/S0108270198012694","","","0.71073","MoKα","","","0.031","","","0.056","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008149","14.4077","0.0011","8.0758","0.0007","19.0278","0.0008","90","","92.95","0.005","90","","2211","0.3","293","","298","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","dibenzobarrelene","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene","","- C16 H12 -","- C16 H12 -","- C128 H96 -","8","1","FR1160","Burrows, Lary; Masnovi, John; Baker, Ronald J.","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene","Acta Crystallographica Section C","1999","55","2","236","239","10.1107/S010827019801275X","","","0.7093","MoKα","","0.038","0.038","","0.042","0.042","","","","","","","2.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008150","10.688","0.001","6.3449","0.0006","16.978","0.003","90","","104.62","0.01","90","","1114.1","0.3","293","","298","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9,10-ethano-9,10-dihydroanthracene","[2,3:5,6]Dibenzo[2.2.2]octa-2,5-diene","","- C16 H14 -","- C16 H14 -","- C64 H56 -","4","1","FR1160","Burrows, Lary; Masnovi, John; Baker, Ronald J.","[2,3:5,6]Dibenzo[2.2.2]octa-2,5,7-triene (<i>C</i>2/<i>c</i>) and [2,3:5,6]dibenzo[2.2.2]octa-2,5-diene","Acta Crystallographica Section C","1999","55","2","236","239","10.1107/S010827019801275X","","","0.7093","MoKα","","0.035","0.035","","0.042","0.042","","","","","","","2.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008151","9.5974","0.0013","18.9323","0.0011","7.2881","0.001","90","","94.229","0.012","90","","1320.6","0.3","293","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrabenzo-24-crown-8","","","- C32 H32 O8 -","- C32 H32 O8 -","- C64 H64 O16 -","2","0.5","FR1161","Bryan, Jeffrey C.; Bunick, Gerard J.; Sachleben, Richard A.","Tetrabenzo-24-crown-8","Acta Crystallographica Section C","1999","55","2","250","252","10.1107/S0108270198012700","","","1.5418","CuKα","","0.046","0.038","","","","0.111","","","1.02","1.04","1.04","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008152","13.658","0.001","11.388","0.001","22.178","0.002","90","","106.951","0.008","90","","3299.6","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","FR1167","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in 4,4',6,6'-tetramethylbiphenyl-2,2'-dicarboxylic acid","Acta Crystallographica Section C","1999","55","2","203","206","10.1107/S0108270198012761","","","0.71073","MoKα","","","0.074","","","","0.097","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008153","11.777","0.0011","9.3742","0.0005","17.0675","0.0015","90","","106.623","0.007","90","","1805.5","0.3","296","2","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-chloro-2-(N,N-dimethylaminomethyleneamino)-1-(2,2-pivaloyloxymethyl) pteridin-4-one","","- C15 H19 Cl N6 O3 -","- C15 H19 Cl N6 O3 -","- C60 H76 Cl4 N24 O12 -","4","1","GD1002","Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A.","A 1-alkylated pteridine, C~15~H~19~ClN~6~O~3~","Acta Crystallographica Section C","1999","55","2","254","256","10.1107/S0108270198011883","","","1.5418","CuKα","","0.114","0.055","","","","0.167","","","","","","1.073","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008154","8.792","0.002","12.481","0.002","18.44","0.004","90","","90","","90","","2023.5","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O7 S -","- C18 H30 O7 S -","- C72 H120 O28 S4 -","4","1","GS1019","Alayrac, Carole; Saint-Clair, Jean-François; Lemarié, Margareth; Metzner, Patrick; Averbuch-Pouchot, Marie-Thérèse","1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl (<i>S</i>)-cyclohexanesulfinate","Acta Crystallographica Section C","1999","55","2","262","264","10.1107/S0108270198012384","","","0.7107","MoKα","","0.04","0.04","","0.045","0.045","","","","1.854","1.854","1.854","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008155","13.13","0.009","5.149","0.002","18.166","0.003","90","","90.92","0.03","90","","1228","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Z)-3-(p-methoxy)benzylideneisoindolin-1-one","(Z)-3-(p-methoxy)benzylideneisoindolin-1-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","HA1225","Kundu, Nitya G.; Khan, M. Wahab; Guha, Subhadra; Mukherjee, Alok K.","Two (<i>Z</i>)-3-aryl(alkyl)ideneisoindolin-1-ones","Acta Crystallographica Section C","1999","55","2","239","241","10.1107/S0108270198009962","","","1.5418","CuKα","","0.057","0.049","","0.128","0.121","","","","1.068","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008156","9.426","0.002","9.795","0.002","9.909","0.002","68.7","0.02","81.17","0.02","70","0.02","800.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(Z)-3-(2'-hydroxy-2'-methyl)propylidene-N-p-tolyl isoindolin-1-one","(Z)-3-(2'-hydroxy-2'-methyl)propylidene-N-p-tolyl isoindolin-1-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","HA1225","Kundu, Nitya G.; Khan, M. Wahab; Guha, Subhadra; Mukherjee, Alok K.","Two (<i>Z</i>)-3-aryl(alkyl)ideneisoindolin-1-ones","Acta Crystallographica Section C","1999","55","2","239","241","10.1107/S0108270198009962","","","0.71073","MoKα","","0.24","0.055","","0.125","0.104","","","","0.771","1.272","1.272","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008157","13.322","0.001","5.167","0.001","20.938","0.001","90","","90","","90","","1441.3","0.3","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3a,4,7,7a-Tetrahydro-isobenzofuran-1,3-dione","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","HA1235","Bolte, Michael; Bauch, Christian","<i>cis</i>-1,2,3,6-Tetrahydrophthalic anhydride at 173K","Acta Crystallographica Section C","1999","55","2","226","228","10.1107/S0108270198012402","","","0.71073","MoKα","","0.0397","0.0323","","","","0.0853","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008158","6.1925","0.0001","10.2272","0.0003","24.8189","0.0006","90","","90","","90","","1571.83","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3-furyl)-1,4,6,6a,7,10,10a,10b-octahydro-6a,10b-dimethyl-2H-naptho [2,1-c]pyran-7,4-dione","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","HA1236","Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","Δ^8,9^-Decarboxyfibleucin from <i>Fibraurea chloroleuca</i> Miers","Acta Crystallographica Section C","1999","55","2","228","230","10.1107/S0108270198011962","","","0.71073","MoKα","","0.086","0.054","","","","0.113","","","","","","1.086","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008159","9.327","0.005","17.472","0.008","7.296","0.004","90","","115.51","0.04","90","","1073.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl mustard oil sulphide Hydrochloride","4-Ethyl-5-ethyliminium-1,2,4-dithiazolidine-3-thione chloride","","- C6 H11 Cl N2 S3 -","- C6 H11 Cl N2 S3 -","- C24 H44 Cl4 N8 S12 -","4","1","JZ1288","Beck, Johannes; Walter, Jörg","Ethyl mustard oil sulfide hydrochloride","Acta Crystallographica Section C","1999","55","2","260","262","10.1107/S0108270198011184","","","0.71073","MoKα","","0.0426","0.037","","","0.1034","0.1101","","","","1.068","1.068","1.063","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008160","26.174","0.007","5.5429","0.0007","15.727","0.004","90","","116.6","0.02","90","","2040.2","0.9","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cu~2(DAB)~2","Bis(μ-diazoaminobenzene)dicooper(I)","","- C24 H20 Cu2 N6 -","- C24 H20 Cu2 N6 -","- C96 H80 Cu8 N24 -","4","0.5","JZ1296","Falvello, Larry R.; Urriolabeitia, Esteban P.; Mukhopadhyay, U.; Ray, D.","Redetermination of (diazoaminobenzene)copper(I) at 150K","Acta Crystallographica Section C","1999","55","2","170","172","10.1107/S0108270198011706","","","0.71073","MoKα","","0.0453","0.0308","","","","0.0812","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008161","11.495","0.001","11.495","0.001","19.134","0.003","90","","90","","90","","2528.3","0.5","150","","150","","","","","","","","","5","I -4 2 m","I -4 2","121","","Bis(tetramethylammonium)tetra-μ~3~-sulfido-tetrakis [(2,2-dimethylpropanethiolato-S)iron(III)]","","- C28 H68 Fe4 N2 S8 -","- C28 H84 Fe4 N2 S8 -","- C56 H168 Fe8 N4 S16 -","2","0.125","JZ1305","Ralf Hauptmann; Jörg Schneider; Martin Köckerling; Gerald Henkel","Bis(tetramethylammonium) tetra-μ~3~-sulfido-tetrakis[(2,2-dimethylpropanethiolato-<i>S</i>)iron]: a heterocubane complex anion with crystallographically imposed øverline{4}2<i>m</i> symmetry","Acta Crystallographica Section C","1999","55","2","190","192","10.1107/S0108270198011718","","","0.71073","MoKα","","","0.055","","","","0.151","","","","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008162","10.696","0.005","11.305","0.005","13.301","0.005","90","0.005","110.06","0.005","90","0.005","1510.8","1.1","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-butyl N-(1-aminocarbonyl-1-isopropylbut-3-enyl)carbamate","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C52 H96 N8 O12 -","4","1","JZ1318","Badorrey, Ramón; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.; Lapeña, Yolanda","2-<i>tert</i>-Butoxycarbonylamino-2-isopropyl-4-pentenamide, a new conformationally restricted α,α-dialkylglycine derivative","Acta Crystallographica Section C","1999","55","2","241","243","10.1107/S010827019801172X","","","0.71069","MoKα","","","0.054","","","","0.154","","","","","","1.006","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008163","8.111","0.001","13.449","0.002","24.09","0.005","90","","90","","90","","2627.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),2(2R),4R]-2-ethyl-2-(2-hydroxy-1-methyl-2-phenylpropyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C112 H132 N4 O16 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.032","0.031","","","","0.085","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008164","8.901","0.001","11.935","0.002","25.898","0.002","90","","90","","90","","2751.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),4R]-2-[1-(3-ethoxy-3-oxo)-1-hydroxy-1-phenylpropyl]-2-ethyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C29 H33 N O6 S -","- C29 H33 N O6 S -","- C116 H132 N4 O24 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.046","0.042","","","","0.109","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008165","11.054","0.001","14.824","0.003","15.25","0.003","90","","90","","90","","2498.9","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,3,4,5)-tetrahydro-3-methylen-2-oxo-5-phenyl-furan-5-yl)- 1,3-oxazolidine","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.03","0.029","","0.084","0.081","","","","1.06","1.06","1.06","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008166","10.236","0.001","22.433","0.003","12.188","0.002","90","","104.89","0.01","90","","2704.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Methyl-(p-chorophenacyl)aniline","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","KA1278","M. Paz Martínez-Alcázar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodríguez","<i>N</i>-(<i>p</i>-Chlorobenzoyl)-<i>N</i>-methylaniline","Acta Crystallographica Section C","1999","55","2","256","258","10.1107/S0108270198010774","","","1.5418","CuKα","","0.077","0.0535","","","","0.1415","","","","","","0.932","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008167","18.3481","0.0016","8.3075","0.0007","13.2995","0.0009","90","","113.96","0.006","90","","1852.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Bis(2-aminobenzothiazole-N)-bis(formato-O,O')copper(II)","","- C16 H14 Cu N4 O4 S2 -","- C16 H14 Cu N4 O4 S2 -","- C64 H56 Cu4 N16 O16 S8 -","4","0.5","KA1298","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>cis</i>-Bis(2-amino-1,3-benzothiazole-<i>N</i>^3^)bis(formato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","2","167","169","10.1107/S0108270198011743","","","0.71073","MoKα","","0.0387","0.0325","","","","0.0801","","","","","","1.142","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008168","24.49","0.005","39.314","0.008","11.808","0.002","90","","90","","90","","11369","4","150","","150","","","","","","","","","6","F d d 2","F 2 -2d","43","","Tris(tetraethylammonium)tetrakis(thiophenolato-μ~3~- selenido-iron)","","- C48 H80 Fe4 N3 S4 Se4 -","- C48 H80 Fe4 N3 S4 Se4 -","- C384 H640 Fe32 N24 S32 Se32 -","8","0.5","LN1065","Hauptmann, Ralf; Schneider, Jörg; Chen, Changneng; Henkel, Gerald","Tris(tetraethylammonium) tetra-μ~3~-selenido-tetrakis[(thiophenolato-<i>S</i>)iron]","Acta Crystallographica Section C","1999","55","2","192","194","10.1107/S0108270198012190","","","0.71073","MoKα","","","0.0366","","","","0.0824","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008169","8.744","0.004","14.219","0.007","19.552","0.009","90","","98.63","0.04","90","","2403","2","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquabis(2,2'-bipyridine-N,N')(perchlorato-O)-manganese(II) perchlorate","","- C20 H18 Cl2 Mn N4 O9 -","- C20 H16 Cl2 Mn N4 O9 -","- C80 H64 Cl8 Mn4 N16 O36 -","4","1","LN1066","Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina","Aquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(perchlorato-<i>O</i>)manganese(II) perchlorate","Acta Crystallographica Section C","1999","55","2","186","188","10.1107/S0108270198012049","","","1.54179","CuKα","","0.121","0.068","","","","0.211","","","","","","1.079","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008170","9.024","0.003","11.442","0.002","17.506","0.003","86.12","0.01","79.1","0.02","68.33","0.02","1649.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O4 -","- C20 H12 N2 O4 -","- C80 H48 N8 O16 -","4","2","LN1070","Elmali, Ayhan; Kabak, Mehmet; Elerman, Yalc̨in","2-Salicylideneamino-4,5-bis(2-furyl)furan-3-carbonitrile","Acta Crystallographica Section C","1999","55","2","258","260","10.1107/S0108270198012268","","","0.71069","MoKα","","0.0773","0.0467","","0.1618","0.1162","","","","1.092","0.987","0.987","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008171","10.118","0.002","9.705","0.003","11.919","0.003","90","","97.32","0.01","90","","1160.8","0.5","292","","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(tert-Butyl)-3-(2-pyridyl)thiourea","","- C10 H15 N3 S -","- C10 H15 N3 S -","- C40 H60 N12 S4 -","4","1","NA1341","Angelova, Olyana; Kossev, Krasimir; Atanasov, Vladimir","1-(<i>tert</i>-Butyl)-3-(2-pyridyl)thiourea","Acta Crystallographica Section C","1999","55","2","220","222","10.1107/S0108270198009615","","","0.71073","MoKα","","0.063","0.043","","","","0.128","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008172","6.5118","0.0004","8.1702","0.0006","13.9142","0.0008","72.501","0.005","75.962","0.005","71.093","0.006","659.22","0.08","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 Cl3 N2 -","- C14 H9 Cl3 N2 -","- C28 H18 Cl6 N4 -","2","1","NA1364","Kendi̇, Engi̇n; Özbey, Süheyla; Göker, Hakan","2,5-Dichloro-1-(<i>p</i>-chlorobenzyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","1999","55","2","243","245","10.1107/S0108270198011196","","","0.71073","MoKα","","","0.03","","","0.031","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008173","15.684","0.003","16.17","0.003","17.222","0.003","90","","116.75","0.01","90","","3900.2","1.3","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0)","","- C14 H27 Cr O3 P3 -","- C14 H27 Cr O3 P3 -","- C112 H216 Cr8 O24 P24 -","8","2","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0572","","","","0.0595","","","","","","1.53","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008174","8.601","0.002","16.324","0.004","14.422","0.002","90","","96.59","0.02","90","","2011.5","0.7","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]molybdenum(0)","","- C14 H27 Mo O3 P3 -","- C14 H27 Mo O3 P3 -","- C56 H108 Mo4 O12 P12 -","4","1","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0408","","","","0.0502","","","","","","1.746","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008175","8.566","0.001","16.281","0.002","14.41","0.002","90","","96.77","0.01","90","","1995.6","0.4","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]tungsten(0)","","- C14 H27 O3 P3 W -","- C14 H27 O3 P3 W -","- C56 H108 O12 P12 W4 -","4","1","OA1069","Suzuki, Takayoshi; Imamura, Takeshi; Kaizaki, Sumio","Tricarbonyl[1,1,1-tris(dimethylphosphinomethyl)ethane]chromium(0), -molybdenum(0) and -tungsten(0) complexes","Acta Crystallographica Section C","1999","55","2","182","186","10.1107/S0108270198012414","","","0.7107","MoKα","","","0.0268","","","","0.0347","","","","","","1.382","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2008176","7.2454","0.0003","9.1927","0.0004","15.6539","0.0007","92.418","0.001","99.687","0.001","112.666","0.001","941.79","0.07","203","2","203","2","","","","","","","","5","P -1","-P 1","2","SN 18071.Ts","1,4-bis[4-(1-pyridinium)styryl)]benzene ditosylate","","- C46 H40 N2 O6 S2 -","- C46 H40 N2 O6 S2 -","- C46 H40 N2 O6 S2 -","1","0.5","OS1035","Clark, George R.; Denny, William A.; Squire, Christopher J.","1,4-Bis[4-(1-pyridinium)styryl]benzene ditosylate","Acta Crystallographica Section C","1999","55","2","230","232","10.1107/S0108270198012396","","","0.71073","MoKα","","0.049","0.04","","","","0.107","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008177","11.36","0.003","12.237","0.002","11.717","0.002","90","","93.63","0.03","90","","1625.5","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro[1-(thiomethyl)-2-(diphenylphosphino)ethane]palladium(II)","","- C15 H17 Cl2 P Pd S -","- C15 H17 Cl2 P Pd S -","- C60 H68 Cl8 P4 Pd4 S4 -","4","1","OS1039","Adnan S. Abu-Surrah; Kristian Lappalainen; Martti Klinga; Markku Leskelä; Hamdallah A. Hodali; Bernhard Rieger","A dichloropalladium(II) complex with a mixed-donor bidentate ligand: dichloro[2-(diphenylphosphino)-1-(methylthio)ethane-<i>P</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section C","1999","55","2","188","190","10.1107/S0108270198012773","","","0.71073","MoKα","","0.05","0.037","","0.077","0.073","","","","1.03","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008178","14.901","0.002","15.785","0.001","8.012","0.002","90","","98.67","0.02","90","","1863","0.6","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O3 -","- C10.5 H12 N O1.5 -","- C84 H96 N8 O12 -","8","1","OS1040","Hökelek, Tuncer; Kılıç, Zeynel; Bilge, Selen","2,5,8-Trioxa-16,20-diazatricyclo[20.4.0.0^9,14^]hexacosa-9,11,13,15,20,22,24,26-octaene","Acta Crystallographica Section C","1999","55","2","248","250","10.1107/S0108270198012281","","","0.71069","MoKα","","","0.0691","","","0.075","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008179","9.557","0.001","16.14","0.001","13.688","0.001","90","0.001","100.978","0.001","90","0.001","2072.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","QA0067","Aatif, A.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Alilou, E. H.; Pierrot, M.","Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chlorophenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate","Acta Crystallographica Section C","1999","55","2","IUC9900010","","10.1107/S0108270199099849","","","0.71073","MoKα","","","0.061","","","0.087","","","","","1.506","1.506","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008180","9.942","0.001","16.184","0.001","13.787","0.001","90","0.001","107.64","0.001","90","0.001","2114","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl N4 O3 -","- C23 H23 Cl N4 O3 -","- C92 H92 Cl4 N16 O12 -","4","1","QA0067","Aatif, A.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Alilou, E. H.; Pierrot, M.","Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chlorophenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate","Acta Crystallographica Section C","1999","55","2","IUC9900010","","10.1107/S0108270199099849","","","0.71073","MoKα","","","0.069","","","0.093","","","","","1.56","1.56","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008181","14.84","0.001","7.0447","0.0007","4.2585","0.0004","81.292","0.008","84.988","0.008","84.837","0.008","437.05","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Potassium 2,4-dichloro-6-nitrophenolate","potassium 2,4-dichloro-6-nitrophenolate","","- C6 H2 Cl2 K N O3 -","- C6 H2 Cl2 K N O3 -","- C12 H4 Cl4 K2 N2 O6 -","2","1","QA0075","Vasiliev, Alexander D.; Solovyov, Leonid A.","Potassium 2,4-dichloro-6-nitrophenolate","Acta Crystallographica Section C","1999","55","2","IUC9900004","","10.1107/S0108270199099904","","","1.54051","CuKα","","0.053","0.051","","","","0.13","","","","","","1.099","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008182","7.242","0.007","10.01","0.007","10.962","0.006","115.96","0.05","90.89","0.03","107.84","0.07","669.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","phenanthridine hydrogenselenate monohydrate","9-azaphenathrenium(1+) hydrogenselenate(1-) monohydrate","","- C13 H13 N O5 Se -","- C13 H13 N O5 Se -","- C26 H26 N2 O10 Se2 -","2","1","QA0076","Slouf, Miroslav; Cisarova, Ivana","Phenathridinium hydrogenselenate monohydrate","Acta Crystallographica Section C","1999","55","2","IUC9900003","","10.1107/S0108270199099874","","","0.71073","MoKα","","0.065","0.055","","","","0.148","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008183","5.2326","0.0003","16.766","0.002","6.613","0.0005","90","","106.983","0.005","90","","554.86","0.09","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(3-bromopropyl)-5-nitro-1H-indole","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C22 H22 Br2 N4 O4 -","2","1","QA0079","Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.","Two 3-substituted 5-nitroindoles","Acta Crystallographica Section C","1999","55","2","IUC9900007","","10.1107/S0108270199099783","","","1.54184","CuKα","","","0.025","","","0.036","","","","","1.978","1.978","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008184","10.3272","0.0007","13.962","0.001","7.4435","0.0006","90","","99.489","0.006","90","","1058.58","0.14","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-hydroxypropyl)-5-nitro-1H-indole","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","QA0079","Garcia, J. Gabriel; Billodeaux, Damon R.; Fronczek, Frank R.","Two 3-substituted 5-nitroindoles","Acta Crystallographica Section C","1999","55","2","IUC9900007","","10.1107/S0108270199099783","","","1.54184","CuKα","","0.052","0.047","","0.056","0.056","","","","1.851","1.848","1.848","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008185","9.952","0.002","11.767","0.002","6.206","0.002","90","","90","","90","","726.8","0.3","125","2","125","2","","","","","","","","3","I b a m","-I 2 2c","72","","2-Propenoic Acid","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Boese, R.; Bläser, D.; Steller, I.; Latz, R.; Bäumen, A.","Redetermination of 2-propenoic acid at 125K","Acta Crystallographica Section C","1999","55","2","IUC9900006","","10.1107/S0108270199099850","","","0.71073","MoKα","","0.05","0.04","","","","0.118","","","","","","1.074","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008186","13.129","0.003","19.201","0.004","27.672","0.006","90","","90","","90","","6976","3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(1R,5S,6R)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]- dec-2-en-5-yl)-2-tert-butyldimethylsilyloxy-4,6-dimethoxy-phenyl]-3-methyl- butan-1-one","","- C32.5 H52 O6.5 S Si -","- C32.5 H52 O6.5 S Si -","- C260 H416 O52 S8 Si8 -","8","2","QA0081","Bats, Jan W.; Berger, Bernd; Gerlach, Matthias; Reggelin, Michael","(+)-(1<i>R</i>,5<i>S</i>,6<i>R</i>)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]dec-2-en-5-yl)-2-<i>tert</i>-butyldimethylsilyloxy-4,6-dimethoxyphenyl]-3-methylbutan-1-one methyl <i>tert</i>-butyl ethersolvate at 133K","Acta Crystallographica Section C","1999","55","2","IUC9900002","","10.1107/S0108270199099837","","","0.71073","MoKα","","0.103","0.061","","","","0.114","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008187","13.151","0.003","3.923","0.001","5.762","0.001","90","","90","","90","","297.27","0.11","40","2","40","2","","","","","","","","3","P n a 21","P 2c -2n","33","Acetic acid","Ethanoic acid","","- C2 H4 O2 -","- C2 H4 O2 -","- C8 H16 O8 -","4","1","QA0082","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Acetic acid at 40K","Acta Crystallographica Section C","1999","55","2","IUC9900001","","10.1107/S0108270199099862","","","0.71073","MoKα","","0.0413","0.0397","","","","0.0986","","","","","","1.131","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008188","7.0377","0.0001","25.6325","0.0002","8.7769","0.0001","90","","108.731","0.001","90","","1499.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5-Di(2-chlorophenyl)-1,2,4-triazole-3-thione.","","- C14 H9 Cl2 N3 S -","- C14 H9 Cl2 N3 S -","- C56 H36 Cl8 N12 S4 -","4","1","QA0084","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Vayalakkavoor T. Ramakrishnan","3,4-Bis(2-chlorophenyl)-1,2,4-1<i>H</i>-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","2","IUC9900005","","10.1107/S0108270199099813","","","0.71073","MoKα","","0.114","0.07","","","","0.207","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008189","14.436","0.003","28.732","0.003","8.592","0.002","90","","106.34","0.02","90","","3419.8","1.2","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(N,N'-disalicylideneethylenediamine)(isothiocyanato)oxovanadium(V)","","","- C17 H14 N3 O3 S V -","- C17 H14 N3 O3 S V -","- C136 H112 N24 O24 S8 V8 -","8","2","QA0085","Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(salicylidene)ethylenediamine](isothiocyanato)oxovanadium(V)","Acta Crystallographica Section C","1999","55","2","IUC9900008","","10.1107/S0108270199099898","","","0.71073","MoKα","","0.123","0.051","","","","0.081","","","","","","1.095","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008190","8.0436","0.0002","8.7719","0.0003","8.9585","0.0003","73.188","0.001","63.829","0.001","73.398","0.002","533.76","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","9-hydroxy-4-methyl-9,10-dihydro-7,8-benzocoumarin","","- C14 H12 O3 -","- C14 H12 O3 -","- C28 H24 O6 -","2","1","QA0086","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","9-Hydroxy-4-methyl-9,10-dihydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","2","IUC9900011","","10.1107/S0108270199099825","","","0.71073","MoKα","","0.095","0.072","","","","0.231","","","","","","1.059","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008191","4.1458","0.0002","12.5203","0.0004","11.1023","0.0004","90","","100.06","0.002","90","","567.42","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","E-1,2-(Di-2'-chlorocyclopentenyl)ethylene","","- C12 H14 Cl2 -","- C12 H14 Cl2 -","- C24 H28 Cl4 -","2","0.5","QA0087","Susmita Gupta; Jayanta Kumar Ray; Kandasamy Chinnakali; Hoong-Kun Fun","(<i>E</i>)-1,2-Bis(2-chlorocyclopentenyl)ethene","Acta Crystallographica Section C","1999","55","2","IUC9900012","","10.1107/S0108270199099801","","","0.71073","MoKα","","0.088","0.064","","","","0.172","","","","","","0.923","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008192","12.8316","0.0002","13.5924","0.0002","23.8128","0.0004","79.5365","0.0009","88.225","0.0008","63.4592","0.0008","3647.83","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,3,5-tri-tertbutyldimethylsilyloxymethyl-2,4,6-triiodbenzene","","- C27 H51 I3 O3 Si3 -","- C27 H51 I3 O3 Si3 -","- C108 H204 I12 O12 Si12 -","4","2","QA0088","Løiten, Marianne Sveaas; Gløgård, Christian; Dalhus, Bjørn; Fjartoft, Berit; Klaveness, Jo","2,4,6-Triiodo-1,3,5-tris(<i>tert</i>-butyldimethylsilyloxymethyl)benzene","Acta Crystallographica Section C","1999","55","2","IUC9900009","","10.1107/S0108270199099795","","","0.71073","MoKα","","0.068","0.057","","0.151","0.136","","","","1.997","2.074","2.074","","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2008193","8.486","0.001","9.571","0.001","19.68","0.002","90","","101.54","0.01","90","","1566.1","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethoxyl-6,7,9,10,11-pentahydro-2-hydroxyl-2-methyl-1H-cyclopenta[jk] pyrrolo[2,1-b][3]benzazepine-1-one","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","QA0092","Zhong, Sanbao; Deng, Yijian; Yu, Kaibei; Zhu, Jin; Mi, Aiqiao; Jiang, Yaozhong; Zhang, Guoling","2-Hydroxy-3,4-dimethoxy-2-methyl-1,2,6,7,10,11-hexahydro-9<i>H</i>-cyclopenta[<i>jk</i>]pyrrolo[2,1-<i>b</i>][3]benzazepin-1-one","Acta Crystallographica Section C","1999","55","2","IUC9900013","","10.1107/S0108270199099886","","","0.71073","MoKα","","0.049","0.034","","0.142","0.083","","","","0.952","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008194","13.524","0.002","11.221","0.001","18.41","0.002","90","","96.06","0.01","90","","2778.2","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H15 Cu Na O12 -","- C9 H15 Cu Na O12 -","- C72 H120 Cu8 Na8 O96 -","8","1","SK1164","Chui, Stephen Sin Yin; Siu, Alvin; Williams, Ian D.","Sodium copper(II) trimesate, [NaCu{C~6~H~3~(COO)~3~}(H~2~O)~4~].2H~2~O, a double-sheet coordination polymer with bridging aqua ligands","Acta Crystallographica Section C","1999","55","2","194","196","10.1107/S0108270198010944","","","0.71073","MoKα","","0.0391","0.0317","","0.0848","0.0788","","","","1.064","1.084","1.084","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008195","11.6017","0.001","11.2268","0.0011","16.752","0.0015","90","","108.936","0.008","90","","2063.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","A Binuclear Cadmium(II) complex: Bis(diisopropyldithiocarbamate) Cadmium(II)","","- C28 H56 Cd2 N4 S8 -","- C28 H56 Cd2 N4 S8 -","- C56 H112 Cd4 N8 S16 -","2","0.5","SK1201","Fang-fang Jian; Zuo-xiang Wang; Hoong-Kun Fun; Zhi-ping Bai; Xiao-zeng You","A binuclear cadmium(II) complex: bis[bis(<i>N,N</i>-diisopropyldithiocarbamato)cadmium(II)]","Acta Crystallographica Section C","1999","55","2","174","176","10.1107/S0108270198012062","","","0.71073","MoKα","","0.0586","0.0411","","0.1056","0.0989","","","","0.95","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008196","21.935","0.001","11.4354","0.0007","9.9743","0.0006","90","","90","","90","","2501.9","0.2","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[2-(dimethylamino)ethylaminomethyl]-4-chlorophenol","","- C11 H17 Cl N2 O -","- C11 H17 Cl N2 O -","- C88 H136 Cl8 N16 O8 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.041","","","0.046","","","","","","","1.295","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008197","15.9034","0.0008","10.5054","0.0005","16.1559","0.0008","90","","90","","90","","2699.2","0.2","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-dimethylamino)ethylaminomethyl]-6-methoxyphenol","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C96 H160 N16 O16 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.048","","","0.056","","","","","","","1.569","","","","has coordinates,has Fobs","190596","2020-10-21","18:00:00",""
"2008198","14.283","0.002","17.083","0.004","7.723","0.003","90","","90","","90","","1884.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-indolyl)acrylamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","1","SX1071","Leopoldo Suescun; Raúl A. Mariezcurrena; Alvaro W. Mombrú; Danilo Davyt; Eduardo Manta","3-(3-Indolyl)acrylamide","Acta Crystallographica Section C","1999","55","2","211","213","10.1107/S0108270198012505","","","0.71069","MoKα","","0.159","0.041","","","","0.132","","","","","","0.98","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008199","7.0518","0.0001","5.851","0.0001","10.3799","0.0002","90","","108.22","0.001","90","","406.803","0.012","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","silver(I) diammino-disulfito-palladat(II)","disilver(I) diamminedisulfitopalladium(II)","","- Ag2 H6 N2 O6 Pd S2 -","- Ag2 H6 N2 O6 Pd S2 -","- Ag4 H12 N4 O12 Pd2 S4 -","2","0.5","AV1026","Solovyov, Leonid A.; Blokhin, Alexander I.; Mulagaleev, Ruslan F.; Kirik, Sergei D.","Ag~2~[Pd(NH~3~)~2~(SO~3~)~2~] powder","Acta Crystallographica Section C","1999","55","3","293","296","10.1107/S0108270198012724","","","1.5418","CuKα","","","","","","","","","","1.66","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008200","7.72","0.006","13.72","0.001","15.161","0.003","63.3","0.01","88.1","0.05","86.56","0.05","1432","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine","Nickel(II) Thiocyanate complex of Bis( 3 - Aminopropyl) methylamine","","- C18 H38 N10 Ni2 S4 -","- C18 H38 N10 Ni2 S4 -","- C36 H76 N20 Ni4 S8 -","2","1","BK1416","Mukherjee, Alok K.; Nayak, Nirmalya P.; Mondal, Arunendu; Chaudhuri, Nirmalendu Ray","A dimeric form of the nickel(II) thiocyanate complex of bis(3-aminopropyl)methylamine","Acta Crystallographica Section C","1999","55","3","365","368","10.1107/S010827019801419X","","","0.71073","MoKα","","0.05","0.039","","0.099","0.095","","","","1.216","1.277","1.277","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008201","16.991","0.002","12.307","0.001","9.5","0.002","90","","107.5","0.02","90","","1894.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(dihydrogen phosphato-O)[(1RS,4RS,8SR,10SR)-1,4,8,10- tetraazacyclotetradecane-κ^4^N]nickel(II) monohydrate","","- C10 H30 N4 Ni O9 P2 -","- C10 H28 N4 Ni O9 P2 -","- C40 H112 N16 Ni4 O36 P8 -","4","0.5","BK1417","Namouchi-Cherni, Saoussen; Driss, Ahmed; Jouini, Tahar","Bis(dihydrogen phosphato-<i>O</i>)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","3","345","347","10.1107/S0108270198014620","","","0.71069","MoKα","","0.0301","0.025","","0.067","0.0638","","","","1.077","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008202","12.932","0.002","11.273","0.002","14.921","0.003","90","","100.16","0.014","90","","2141.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ~2~-Hydrydo)-(μ~2~-N-methylcarboxamido-C,O)-trimethylamine)- nonacarbonyl- tri-osmium","","- C14 H14 N2 O10 Os3 -","- C14 H14 N2 O10 Os3 -","- C56 H56 N8 O40 Os12 -","4","1","BK1418","Andrés Vega; Evgenia Spodine; Alejandro Arce; Jorge Manzur; Ana María García; María Teresa Garland","Nonacarbonyl-μ~2~-hydrido-μ~2~-(<i>N</i>-methylcarboxamido)-<i>C</i>:<i>O</i>-(<i>N</i>-trimethylamine)triosmium(3 <i>Os</i>—<i>Os</i>)","Acta Crystallographica Section C","1999","55","3","322","323","10.1107/S0108270198012839","","","0.71073","MoKα","","0.0659","0.0362","","0.0787","0.0671","","","","1.016","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008203","7.268","0.002","12.747","0.002","13.357","0.004","90","","90","","90","","1237.5","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(4-pyridyl)-5-phenylhydantoin","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","BK1423","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Braswell, Anthony; Hadley, Johnathan","5-(4-Pyridyl)-5-phenylhydantoin","Acta Crystallographica Section C","1999","55","3","405","407","10.1107/S0108270198014528","","","0.71073","MoKα","","0.0338","0.0306","","0.0784","0.076","","","","1.111","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008204","16.734","0.003","10.267","0.002","17.173","0.004","90","","110.34","0.02","90","","2766.5","1","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dioxo-di-μ-dioxo-bis(difluoroacetato)-bis-(2,2 -bipyridine)-dimolybdenum(V)","","- C24 H22 F4 Mo2 N4 O10 -","- C24 H22 F4 Mo2 N4 O10 -","- C96 H88 F16 Mo8 N16 O40 -","4","0.5","BK1424","Webb, Thomas R.; Talbott, E. Shane","Di-μ-oxo-bis[(2,2'-bipyridine)(difluoroacetato)oxomolybdenum(V)] dihydrate","Acta Crystallographica Section C","1999","55","3","370","372","10.1107/S0108270198014206","","","0.71073","MoKα","","0.03","0.024","","0.06","0.056","","","","1.12","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008205","11.688","0.002","12.561","0.004","3.945","0.001","90","","90","","90","","579.2","0.3","296","","","","","","","","","","","5","C m m m","-C 2 2","65","","μ-4,4'-bipyridylium di-μ-bromide-mercury(II)","","- C10 H8 Br2 Hg N2 -","- C10 H8 Br2 Hg N2 -","- C20 H16 Br4 Hg2 N4 -","2","0.125","BM1222","Pan, Long; Zheng, Nengwu; Wu, Yonggang; Yu, Shichun; Huang, Xiaoying","Poly[mercury(II)-μ-4,4'-bipyridine-di-μ-bromo]","Acta Crystallographica Section C","1999","55","3","343","345","10.1107/S0108270198006325","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","1.25","","","","has coordinates","198516","2020-10-21","18:00:00",""
"2008206","9.257","0.001","10.947","0.003","11.911","0.001","96.86","0.01","108.997","0.007","96.59","0.01","1117.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{3-[(1-protonated-4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium}{3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5- (2-hydroxyethyl)-4-methylthiazolium} heptaiododimercurate dihydrate","","- C24 H39 Hg2 I7 N8 O4 S2 -","- C24 H28 Hg2 I7 N8 O4 S2 -","- C24 H28 Hg2 I7 N8 O4 S2 -","1","0.5","BM1259","Hu, Ning-Hai; Liu, Yong-Sheng; Aoki, Katsuyuki","Interactions of thiamine with anions: (Hthiamine)(thiamine) heptaiododimercurate dihydrate and its dimethanol monohydrate","Acta Crystallographica Section C","1999","55","3","304","308","10.1107/S0108270198013407","","","0.71073","MoKα","","0.101","0.042","","0.147","0.108","","","","0.87","","","0.924","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008207","11.797","0.001","19.238","0.002","22.012","0.004","90","","98.57","0.01","90","","4939.9","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{3-[(1-protonated-4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium}{3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5- (2-hydroxyethyl)-4-methylthiazolium} heptaiododimercurate dimethanol-monohydrate","","- C26 H45 Hg2 I7 N8 O5 S2 -","- C26 H40 Hg2 I7 N8 O5 S2 -","- C104 H160 Hg8 I28 N32 O20 S8 -","4","0.5","BM1259","Hu, Ning-Hai; Liu, Yong-Sheng; Aoki, Katsuyuki","Interactions of thiamine with anions: (Hthiamine)(thiamine) heptaiododimercurate dihydrate and its dimethanol monohydrate","Acta Crystallographica Section C","1999","55","3","304","308","10.1107/S0108270198013407","","","0.71073","MoKα","","0.105","0.053","","0.161","0.131","","","","0.998","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008208","7.4875","0.0006","14.4756","0.0014","12.1879","0.0012","90","","92.702","0.007","90","","1319.5","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trymethylpyridine benzoic acid","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.083","0.068","","0.103","0.091","","","","0.992","1","1","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008209","25.732","0.003","7.8359","0.0004","13.954","0.001","90","","90","","90","","2813.6","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Trymethylpyridinium ortho-nitro-benzoate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.068","0.059","","0.077","0.07","","","","0.944","0.947","0.947","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008210","7.5078","0.0004","7.319","0.0004","27.632","0.008","90","","92.06","0.009","90","","1517.4","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trymethylpyridinium 3,5-dinitro-benzoate","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C60 H60 N12 O24 -","4","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.048","0.044","","0.054","0.052","","","","0.964","0.977","0.977","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008211","6.834","0.001","9.672","0.001","11.317","0.001","91.72","0.01","96.56","0.01","97.27","0.01","736.41","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1D1CC","4'-propen-1-ylbicyclohexyl-4-carbonitrile","","- C16 H25 N -","- C16 H25 N -","- C32 H50 N2 -","2","1","BM1266","Gupta, Sakuntala; Bhattacharyya, Kinkini; SenGupta, S.P.; Paul, Sukla; Alajos, Kalman; Laszlo, Parkanyi","A mesogenic alkenyl compound","Acta Crystallographica Section C","1999","55","3","403","405","10.1107/S0108270198013791","","","0.7107","MoKα","","0.0882","0.0445","","0.1511","0.1376","","","","1.03","1.307","1.307","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008212","11.8241","0.0005","11.8241","0.0005","19.8441","0.0011","90","","90","","120","","2402.7","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexa(dimethylsulfoxide-O)nickel(II) tetraiodide(2-)","","- C12 H36 I4 Ni O6 S6 -","- C12 H36 I4 Ni O6 S6 -","- C36 H108 I12 Ni3 O18 S18 -","3","0.166667","BM1277","De-Liang Long; Huai-Ming Hu; Jiu-Tong Chen; Jin-Shun Huang","[Ni{(CH~3~)~2~SO}~6~]I~4~, a redetermination and reinterpretation","Acta Crystallographica Section C","1999","55","3","339","341","10.1107/S0108270198013055","","","0.71073","MoKα","","0.024","0.019","","0.041","0.039","","","","1.131","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008213","7.3648","0.0005","8.1825","0.0006","32.657","0.002","90","","90","","90","","1968","0.2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(dimethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2-naphtyl) acetyl]piperidine chloride","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.041","0.0375","","0.1208","","0.1208","","","1.136","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008214","7.2011","0.0008","7.63","0.0006","41.223","0.003","90","","90","","90","","2265","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(Methylethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2- naphthyl)acetyl]piperidine chloride dihydrate","","- C21 H35 Cl N2 O4 -","- C21 H35 Cl N2 O4 -","- C84 H140 Cl4 N8 O16 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.0819","0.05","","0.1302","","0.1302","","","1.062","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008215","12.2516","0.0008","13.2439","0.0009","10.1913","0.0007","90","","90.291","0.002","90","","1653.61","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7-hexahydro-10-methyl-naphtho[2,3-c]acridine","","- C22 H21 N -","- C22 H21 N -","- C88 H84 N4 -","4","1","BM1281","Jayanta Kumar Ray; Manas Kumar Haldar; Susmita Gupta; Kandasamy Chinnakali; Hoong-Kun Fun","7,8,10,11,12,13-Hexahydro-4-methylnaphtho[2,3-<i>c</i>]acridine","Acta Crystallographica Section C","1999","55","3","397","399","10.1107/S0108270198013225","","","0.71073","MoKα","","0.163","0.074","","","","0.241","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008216","8.4793","0.0002","22.5318","0.001","9.7774","0.0003","90","","90","","90","","1868.01","0.11","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","Tris(2-aminobenzyl)amine","","- C21 H24 N4 -","- C21 H24 N4 -","- C84 H96 N16 -","4","1","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.03","0.029","","0.031","0.03","","","","0.901","","","0.891","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008217","18.1459","0.0006","18.1459","0.0006","12.2532","0.0005","90","","90","","120","","3494.1","0.2","150","","150","","","","","","","","","7","R 3 :H","R 3","146","","N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","","- C40 H66 B F4 N4 O9 P3 -","- C40 H66 B F4 N4 O9 P3 -","- C120 H198 B3 F12 N12 O27 P9 -","3","0.333333","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.; N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.042","0.042","","0.048","0.048","","","","1.518","","","1.517","","","","has coordinates","207948","2020-10-21","18:00:00",""
"2008218","12.9598","0.0016","53.6","0.003","8.2907","0.0012","90","","90","","90","","5759.1","1.1","293","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","","- C16 H11 Br N4 -","- C16 H11 Br N4 -","- C256 H176 Br16 N64 -","16","1","BM1286","Kumar, A.; Parmar, V. S.; Errington, W.","(<i>E</i>)-2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","Acta Crystallographica Section C","1999","55","3","456","457","10.1107/S0108270198013067","","","0.71073","MoKα","","0.0679","0.0457","","","","0.0986","","","","","","0.994","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008219","17.882","0.005","6.8049","0.0009","11.712","0.006","90","","90","","90","","1425.2","0.9","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H13 Ca2 N O11 -","- C6 H13 Ca2 N O11 -","- C24 H52 Ca8 N4 O44 -","4","0.5","BM1288","Cooksey, Brian G.; Gibson, Lorraine T.; Kennedy, Alan R.; Littlejohn, David; Stewart, Lesley; Tennent, Norman H.","Dicalcium triacetate nitrate dihydrate","Acta Crystallographica Section C","1999","55","3","324","326","10.1107/S0108270198012864","","","0.71069","MoKα","","0.085","0.035","","","","0.106","","","","","","1.023","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008220","7.733","0.002","6.295","0.002","34.222","0.005","90","","95.32","0.03","90","","1658.7","0.7","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-(1'-N,N-dimethylaminophen-4'-yl)-3,4,4a,5,6,10,10a-heptahydroanthracen-2-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","BM1290","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","Bond-length alternation in rigidized merocyanines","Acta Crystallographica Section C","1999","55","3","446","450","10.1107/S0108270198013778","","","0.71073","MoKα","","0.1311","0.0637","","0.1498","0.1177","","","","1.028","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008221","32.972","0.007","8.046","0.002","19.647","0.004","90","","122.371","0.015","90","","4402.2","1.8","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-dicyanomethylene-7-(2'-piperidinothien-5'-yl)-3,4,4a,5,6,10,10a- heptahydroanthracene","","- C26 H27 N3 S -","- C26 H27 N3 S -","- C208 H216 N24 S8 -","8","1","BM1290","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","Bond-length alternation in rigidized merocyanines","Acta Crystallographica Section C","1999","55","3","446","450","10.1107/S0108270198013778","","","0.71073","MoKα","","0.1185","0.0632","","0.1452","0.1194","","","","1.026","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008222","8.2103","0.0001","25.6785","0.0006","11.6874","0.0002","90","","105.004","0.001","90","","2380.03","0.08","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2'R,6'R)-1-Methoxy-4-(2""-methylprop-2""-enyloxy)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","2","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.06","0.043","","","","0.11","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008223","6.793","0.0001","14.0076","0.0002","22.277","0.0001","90","","90","","90","","2119.74","0.04","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2'R,6'R)-4-Hydroxy-3-(2""methylprop-2""-enyloxo)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone.","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.044","0.034","","","","0.086","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008224","14.984","0.008","14.437","0.005","25.361","0.009","90","0.02","107.39","0.03","90","0.03","5235","4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquanonaphenyltristiboxane diperchlorate","","- C54 H49 Cl2 O12 Sb3 -","- C54 H49 Cl2 O12 Sb3 -","- C216 H196 Cl8 O48 Sb12 -","4","0.5","BM1295","Baker, L-J; Rickard, Clifton E. F.; Taylor, Michael J.","Diaquanonaphenyltristiboxane diperchlorate","Acta Crystallographica Section C","1999","55","3","335","337","10.1107/S0108270198014632","","","0.71069","MoKα","","0.051","0.034","","","","0.098","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008225","10.2981","0.0008","10.8896","0.0009","12.1733","0.0007","90","","90","","90","","1365.14","0.17","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R)-(-)-2-(1,3-thiazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","BM1296","Fitzsimons, Lavelle M.; Gallagher, John F.","Intermolecular C—H···N and C—H···O interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-3,4-dimethyl-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","3","472","474","10.1107/S0108270198014103","","","0.7107","MolybdenumKα","","0.0434","0.0347","","","","0.0905","","","","","","1.024","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008226","10.422","0.005","10.422","0.005","7.467","0.003","90","","90","","120","","702.4","0.6","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","pentalead tris(vanadate) iodide","","","- I1.7 O24 Pb9.85 V6 -","- I1.704 O24 Pb9.844 V6 -","- I1.704 O24 Pb9.844 V6 -","1","0.0833333","BR1208","Fabienne Audubert; Jean-Michel Savariault; Jean-Louis Lacout","Pentalead tris(vanadate) iodide, a defect vanadinite-type compound","Acta Crystallographica Section C","1999","55","3","271","273","10.1107/S0108270198005034","","","0.71073","MoKα","","0.0526","0.0364","","","0.0783","0.0705","","","","","","0.834","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008227","15.181","0.009","5.0319","0.0008","20.76","0.004","90","","109.07","0.03","90","","1498.8","1","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","sodium vanadate","","- Na4.5 O17.5 V7 -","- Na4.5 O17.5 V7 -","- Na18 O70 V28 -","4","1","BR1224","Millet, Patrice; Henry, Jean-Yves; Galy, Jean","The vanadium oxide bronze η-Na~<i>x~</i>V~2~O~5~ (<i>x</i> = 1.286)","Acta Crystallographica Section C","1999","55","3","276","279","10.1107/S010827019801587X","","","0.71069","MoKα","","0.106","0.045","","0.127","0.112","","","","0.963","1.176","1.176","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008228","17.38","0.003","11.6","0.002","13.418","0.003","90","","110.92","0.03","90","","2526.9","1","292","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Co N7 O6 -","- C27 H21 Co N7 O6 -","- C108 H84 Co4 N28 O24 -","4","0.5","CF1249","Fu, You-Jun; Gao, Zhang-Shou; Yang, Hao; Dai, Wenning; Wang, Defen; Hu, Hongwen; Tang, Wenxia; Zhang, Zeying; Mak, Thomas C.W.","A monohelical cobalt(II) complex of a quinquepyridine ligand","Acta Crystallographica Section C","1999","55","3","349","351","10.1107/S0108270198013651","","","0.71073","MoKα","","","0.054","","","0.061","","","","","1.25","1.25","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2008229","7.7544","0.0002","31.6493","0.001","13.2174","0.0004","90","","93.004","0.001","90","","3239.37","0.16","150","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(saccharinato)aquabis(2,2'-bipyridene)manganese(II)saccharinate","","- C34 H26 Mn N6 O7 S2 -","- C34 H26 Mn N6 O7 S2 -","- C136 H104 Mn4 N24 O28 S8 -","4","1","CF1256","Dillon, Keith B.; Bilton, Clair; Howard, Judith A. K.; Hoy, Vanessa J.; Deng, Robert M. K.; Sethatho, David T.","The first manganese(II) compound with the saccharinate ligand present both in the complex cation and as the counter-ion: [Mn(bipy)~2~(sac)(H~2~O)]^+^^.^sac^{-^}","Acta Crystallographica Section C","1999","55","3","330","332","10.1107/S0108270198013663","","","0.71073","MoKα","","","0.048","","","0.079","0.105","","","","1.065","1.065","1.064","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008230","16.5433","0.0004","16.4583","0.0005","12.3847","0.0002","90.0107","0.0003","103.965","0.001","90.0089","0.0011","3272.37","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dicyano-4-thiodiphenylaminobenzene","","- C20 H11 N3 S -","- C20 H11 N3 S -","- C160 H88 N24 S8 -","8","2","CF1257","Sema Öztürk; Şamil Işık; Hoong-Kun Fun; Engin Kendi; Erbil Ag̃ar; Selami Şaşmaz; Abdul Razak İbrahim","4-(Phenothiazin-10-yl)benzene-1,2-dicarbonitrile","Acta Crystallographica Section C","1999","55","3","395","397","10.1107/S0108270198012347","","","0.71073","MoKα","","0.0515","0.036","","0.0949","0.0856","","","","1.034","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008231","8.735","0.002","9.093","0.002","15.64","0.003","82.94","0.03","85.85","0.02","81.76","0.02","1218.2","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Sodium Aquo(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)holmium(III) Tetrahydrate.","","- C16 H34 Ho N4 Na O13 -","- C16 H34 Ho N4 Na O13 -","- C32 H68 Ho2 N8 Na2 O26 -","2","1","CF1277","Benetollo, Franco; Bombieri, Gabriella; Aime, Silvio; Botta, Mauro","A holmium complex of a macrocyclic ligand (DOTA) and its isostructural europium analogue","Acta Crystallographica Section C","1999","55","3","353","356","10.1107/S0108270198014450","","","0.71073","MoKα","","0.024","0.024","","0.061","0.061","","","","1.069","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008232","8.734","0.002","9.116","0.003","15.773","0.003","82.83","0.03","85.34","0.03","81.43","0.02","1229.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Sodium Aquo(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)europium(III) Tetrahydrate.","","- C16 H34 Eu N4 Na O13 -","- C16 H34 Eu N4 Na O13 -","- C32 H68 Eu2 N8 Na2 O26 -","2","1","CF1277","Benetollo, Franco; Bombieri, Gabriella; Aime, Silvio; Botta, Mauro","A holmium complex of a macrocyclic ligand (DOTA) and its isostructural europium analogue","Acta Crystallographica Section C","1999","55","3","353","356","10.1107/S0108270198014450","","","0.71073","MoKα","","0.019","0.019","","0.052","0.051","","","","1.109","1.109","1.109","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008233","30.968","0.002","6.003","0.002","11.394","0.002","90","","107.26","0.01","90","","2022.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Z-Proψ[CO-N(NH2)]-Ala-NH^i^Pr","","","- C19 H28 N4 O4 -","- C19 H28 N4 O4 -","- C76 H112 N16 O16 -","4","1","CF1278","Aubry, Andre; Del Duca, Valerio; Pedone, Carlo; Zerkout, Said; Marraud, Michel","Dipeptide (<i>Z</i>)-Pro-ψ[CO-N(NH~2~)]-Ala-NH^<i>i^</i>Pr","Acta Crystallographica Section C","1999","55","3","439","441","10.1107/S0108270198013675","","","1.5418","CuKα","","0.0925","0.0543","","0.1588","0.1163","","","","0.971","1.078","1.078","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008234","9.3761","0.0006","9.4407","0.0005","10.7822","0.0006","71.424","0.003","87.87","0.01","67.852","0.003","834.18","0.09","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","trans-Diiodobis(triphenylphosphine)palladium(II)","","- C36 H30 I2 P2 Pd -","- C36 H30 I2 P2 Pd -","- C36 H30 I2 P2 Pd -","1","0.5","CF1284","Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.","<i>trans</i>-Diiodobis(triphenylphosphine)palladium(II)","Acta Crystallographica Section C","1999","55","3","320","322","10.1107/S0108270198015868","","","0.71073","MoKα","","0.047","0.034","","","","0.094","","","","","","1.012","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008235","11.173","0.004","7.324","0.005","12.024","0.008","90","","97.82","0.04","90","","974.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Homolycorine Hydrochloride dihydrate","(1S,5S,4aR,10bS)-8,9-diethoxy-N-methyl-(2)benzopyran(3,4-g)indolin-6-one","","- C18 H26 Cl N O6 -","- C18 H24 Cl N O6 -","- C36 H48 Cl2 N2 O12 -","2","1","CF1288","Francesc Viladomat; Jaume Bastida; Carles Codina; Xavier Solans; 'Mercè Font-Bardia","Homolycorine hydrochloride dihydrate","Acta Crystallographica Section C","1999","55","3","385","387","10.1107/S0108270198014644","","","0.71069","MoKα","","0.0439","0.0329","","","","0.0568","","","","","","0.875","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008236","15.018","0.005","18.383","0.004","14.671","0.007","98.91","0.03","117.43","0.03","97.21","0.02","3461","2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","1-chloro-1-hydrido-2,6-di(2-hydroxyethoxy)-1,3,5-tris(triphenylphosphine)- iso-closo-1-ruthenadecaborane‒trichloromethane (1:1.2)","","- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -","- C59.2 H62.2 B9 Cl4.6 O4 P3 Ru -","- C118.4 H124.4 B18 Cl9.2 O8 P6 Ru2 -","2","1","DA1032","Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jing-De Wei; Ruo-Shui Jin; Zu-En Huang; Pei-Ju Zheng","A degraded glycol-substituted <i>iso</i>-<i>closo</i> ten-vertex ruthenaborane: [(PPh~3~)HClRuB~9~H~5~(OCH~2~CH~2~OH)~2~(PPh~3~)~2~]^.^1.2CHCl~3~","Acta Crystallographica Section C","1999","55","3","337","339","10.1107/S0108270198013237","","","0.71069","MoKα","","0.17","0.07","","","","0.242","","","","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008237","9.027","0.001","11.095","0.003","7.275","0.002","106.23","0.02","108.02","0.02","78.09","0.02","659.5","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Co N2 O10 -","- C24 H32 Co N2 O10 -","- C24 H32 Co N2 O10 -","1","0.5","DA1034","Okabe, Nobuo; Makino, Tomomi","<i>trans</i>-Diaquabis(quinoline-2-carboxylato-<i>N</i>,<i>O</i>)cobalt(II)‒water‒ethanol (1/2/2)","Acta Crystallographica Section C","1999","55","3","300","302","10.1107/S0108270198013584","","","0.71069","MoKα","","","0.063","","","0.097","","","","","1.5","1.5","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2008238","10.735","0.002","13.31","0.002","5.205","0.001","90","","90","","90","","743.7","0.2","296","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Co N4 O6 -","- C12 H14 Co N4 O6 -","- C24 H28 Co2 N8 O12 -","2","0.5","DA1037","Okabe, Nobuo; Adachi, Yukari","Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]cobalt(II)","Acta Crystallographica Section C","1999","55","3","302","304","10.1107/S0108270198013614","","","0.71069","MoKα","","","0.032","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008239","4.906","0.003","14.838","0.005","19.488","0.003","90","","90","","90","","1418.6","1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methoxymethyl- 4-dimethylamino-(1H)-pyrimidin-2-one","","- C13 H21 N3 O5 -","- C13 H21 N3 O5 -","- C52 H84 N12 O20 -","4","1","DA1046","Audette, Gerald F.; Zoghaib, Wajdi M.; Gupta, Sagar V.; Quail, J. Wilson; Delbaere, Louis T. J.","<i>N</i>,<i>N</i>-Dimethyl-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1999","55","3","427","430","10.1107/S0108270198013249","","","0.7093","MoKα","","0.046","0.037","","","","0.09","","","","","","1.065","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008240","6.5429","0.0008","9.0345","0.0009","23.894","0.004","90","0.011","90","0.011","90","0.01","1412.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilin","3-Hydroxyestra-1,3,5(10),7-tetraen-17-one","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","DA1048","Sawicki, Mark W.; Li, Naiyin; Ghosh, Debashis","Equilin","Acta Crystallographica Section C","1999","55","3","425","427","10.1107/S0108270198013250","","","1.54178","CuKα","","0.052","0.05","","","","0.134","","","","","","1.071","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008241","10.115","0.003","10.757","0.004","30.986","0.004","90","","96.24","0.02","90","","3351.5","1.7","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cl8 Cu2 N2 O18 -","- C62 H50 Cl8 Cu2 N2 O18 -","- C124 H100 Cl16 Cu4 N4 O36 -","2","0.5","DA1053","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Noguchi, Masakazu; Tokii, Tadashi","A dimeric copper(II) bis(4-chlorophenoxy)acetate adduct with dimethylformamide","Acta Crystallographica Section C","1999","55","3","316","318","10.1107/S0108270198014899","","","0.71073","MoKα","","0.065","0.059","","","","0.062","","","","","","1.795","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008242","8.045","0.002","8.937","0.002","26.773","0.003","90","0.01","90","0.01","90","0.02","1924.9","0.7","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5'-(toluenesulfonyl)adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C68 H76 N20 O24 S4 -","4","1","DE1093","D. Prahadeeswaran; T. Parthasarathy Seshadri","5'-<i>O</i>-(Toluenesulfonyl)adenosine","Acta Crystallographica Section C","1999","55","3","389","391","10.1107/S0108270198013262","","","1.5418","CuKα","","0.055","0.039","","0.129","0.115","","","","1.032","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008243","4.851","0.002","13.535","0.003","14.013","0.005","90","","97.28","0.01","90","","912.7","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^4^Anisoylcytidine Dihydrate","","- C17 H23 N3 O9 -","- C17 H23 N3 O9 -","- C34 H46 N6 O18 -","2","1","DE1095","S. Kolappan; T. P. Seshadri","<i>N</i>^4^-Anisoylcytidine dihydrate","Acta Crystallographica Section C","1999","55","3","391","392","10.1107/S0108270198013274","","","1.5418","CuKα","","0.049","0.042","","0.132","0.117","","","","1.051","1.062","1.062","","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2008244","16.239","0.003","11.717","0.003","11.627","0.004","90","","93.69","0.02","90","","2207.7","1","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Troglitazone","5-{4-[(4a,5,6,7,8,8a-hexahydro-6-hydroxy-2,5,7,8-tetramethylchroman-2- yl)methyloxy]benzyl}thiazolidine-2,4-dione","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C96 H108 N4 O20 S4 -","4","1","DE1099","K. Vyas; A. Sivalakshmidevi; C. Prabhakar; G. Om Reddy","Troglitazone, an euglycemic antidiabetic drug","Acta Crystallographica Section C","1999","55","3","411","413","10.1107/S010827019801467X","","","1.5418","CuKα","","0.092","0.062","","0.058","","0.056","","","1.828","","","2.039","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008245","29.501","0.002","8.5509","0.0014","7.963","0.003","90","","101.15","0.02","90","","1970.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(méta-anisidinium) Dihydrogénodiphosphate","","- C14 H22 N2 O9 P2 -","- C14 H22 N2 O9 P2 -","- C56 H88 N8 O36 P8 -","4","0.5","DU1178","Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar","Bis(<i>m</i>-anisidinium) dihydrogénodiphosphate","Acta Crystallographica Section C","1999","55","3","474","476","10.1107/S010827019801155X","","","0.71069","MoKα","","0.0899","0.0516","","0.1296","0.1107","","","","1.058","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008246","14.5297","0.0016","8.2314","0.0014","14.3684","0.0018","90","","90","","90","","1718.5","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H16 Cl2 N2 Ni S2 -","- C14 H16 Cl2 N2 Ni S2 -","- C56 H64 Cl8 N8 Ni4 S8 -","4","0.5","FG1490","Thangarasu Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen","Dichloro[2,2'-(2,5-dithiahexamethylene)dipyridine-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1999","55","3","318","320","10.1107/S010827019801422X","","","0.71073","MoKα","","0.0445","0.03","","","0.0641","0.0694","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008247","11.009","0.002","5.949","0.001","14.466","0.003","90","","105.66","0.01","90","","912.2","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","FG1506","Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.","Two new spiro lactam-lactones","Acta Crystallographica Section C","1999","55","3","416","419","10.1107/S0108270198010403","","","0.71073","MoKα","","0.1783","0.074","","0.2297","","0.163","","","1.029","","","1.026","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008248","9.991","0.001","10.098","0.001","10.576","0.001","90","","108.98","0.01","90","","1008.99","0.18","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","FG1506","Zukerman-Schpector, J.; Biaggio, Francisco C.; Rufino, Alessandra R.; Caracelli, I.","Two new spiro lactam-lactones","Acta Crystallographica Section C","1999","55","3","416","419","10.1107/S0108270198010403","","","0.71073","MoKα","","0.1631","0.047","","0.1326","","0.104","","","0.97","","","0.97","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008249","6.9403","0.0005","9.948","0.0007","9.5931","0.0007","90","","90","","90","","662.33","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H6 O6 Pb -","- C4 H6 O6 Pb -","- C16 H24 O24 Pb4 -","4","0.5","FG1511","Norberg, Stefan; Svensson, Göran; Albertsson, Jörgen","Lead(II) oxydiacetate hydrate","Acta Crystallographica Section C","1999","55","3","356","358","10.1107/S0108270198014115","","","0.71073","MoKα","","0.061","0.044","","0.129","","0.112","","","1.158","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2008250","10.458","0.002","7.619","0.002","13.28","0.002","90","","91.94","0.01","90","","1057.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxo-5α-cholan-24-oic Acid","(+)-3-Oxo-5α-cholan-24-oic Acid","","- C24 H38 O3 -","- C24 H38 O3 -","- C48 H76 O6 -","2","1","FG1512","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxo-5α-cholan-24-oic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","3","419","422","10.1107/S0108270198012931","","","0.71073","MoKα","","0.069","0.046","","0.122","0.101","","","","1.07","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008251","11.401","0.001","14.698","0.002","5.0903","0.0006","90","","94.53","0.009","90","","850.33","0.17","293","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxyethyl-2,2'-biimidazole","","- C8 H10 N4 O -","- C8 H10 N4 O -","- C32 H40 N16 O4 -","4","1","FG1514","Lin, Geng; Collier, Harvest; Baughman, Russell G.","1-Hydroxyethyl-2,2'-biimidazole","Acta Crystallographica Section C","1999","55","3","476","478","10.1107/S0108270198017387","","","0.71073","MoKα","","0.063","0.04","","0.113","0.095","","","","1.012","1.075","1.075","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008252","7.579","0.002","17.55","0.002","11.111","0.005","90","","90","","90","","1477.9","0.8","296","","296","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C32 H80 N24 Ni4 S8 -","4","0.5","FR1148","Moore, Stephanie L.; Philip J. Squattrito","Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","3","332","334","10.1107/S0108270198013419","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","2.12","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008253","8.817","0.002","9.872","0.002","13.672","0.003","90","","90","","90","","1190","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Idazoxan hydrobromide","2-(1,4-benzodioxan-2-yl)imidazolinium bromide","","- C11 H13 Br N2 O2 -","- C11 H13 Br N2 O2 -","- C44 H52 Br4 N8 O8 -","4","1","FR1149","Brunel, Serge; Maurel, Jean Louis; Ribet, Jean Paul; Monconduit, Laure; Tillard, Monique; Belin, Claude","Absolute configuration of 2-(1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","1999","55","3","441","443","10.1107/S0108270198013286","","","0.71073","MoKα","","0.08","0.036","","","","0.089","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008254","9.871","0.002","11.044","0.002","13.117","0.003","87.403","0.008","89.625","0.004","67.3872","0.0011","1318.6","0.5","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","2","FR1159","John S. Davidson; Steven J. Rettig; James Trotter","Fromm's methylphenyldithiodimethylketuret","Acta Crystallographica Section C","1999","55","3","434","436","10.1107/S0108270198013432","","","0.71069","MoKα","","0.1182","0.04","","0.0768","0.077","","","","1.02","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008255","12.8953","0.0017","10.0927","0.0011","14.413","0.002","90","","106.638","0.012","90","","1797.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","paroxetine hydrochloride hemihydrate","","","- C19 H22 Cl F N O3.5 -","- C19 H22 Cl F N O3.5 -","- C76 H88 Cl4 F4 N4 O14 -","4","2","","Ibers, James A.","Paroxetine hydrochloride hemihydrate","Acta Crystallographica Section C","1999","55","3","432","434","10.1107/S0108270198013444","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2008256","8.7931","0.0005","9.2891","0.0004","13.2423","0.0009","89.657","0.004","73.646","0.007","82.804","0.005","1029.21","0.11","291","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F6 Na O7 -","- C15 H21 F6 Na O7 -","- C30 H42 F12 Na2 O14 -","2","1","GD1004","Farrugia, Louis J.; Watson, Ian M.","(1,1,1,5,5,5-Hexafluoro-2,4-pentanedionato-<i>O</i>,<i>O</i>')(1,4,7,10,13-pentaoxapentadecane-κ^5^<i>O</i>)sodium","Acta Crystallographica Section C","1999","55","3","326","328","10.1107/S0108270198013031","","","0.71073","MoKα","","","0.055","","","","0.175","","","","","","1.045","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008257","20.43","0.004","5.591","0.004","5.288","0.0006","90","","93.26","0.01","90","","603","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Nitrate d'Argent et de Césium: AgCs(NO~3~)~2~","","- Ag Cs N2 O6 -","- Ag Cs N2 O6 -","- Ag4 Cs4 N8 O24 -","4","0.5","GS1014","Ben Amor, Fatma; Hellali, Dalila; Zamali, Hmida","Nitrate d'argent et de césium: AgCs(NO~3~)~2~","Acta Crystallographica Section C","1999","55","3","281","282","10.1107/S0108270198013304","","","0.71069","MoKα","","0.045","0.043","","0.129","0.128","","","","1.265","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008258","10.9742","0.0007","14.467","0.001","6.731","0.001","90","","104.28","0.01","90","","1035.62","0.19","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Nickel potassium arsenate.","","- As6 K4 Ni7 O24 -","- As6 K4 Ni7 O24 -","- As12 K8 Ni14 O48 -","2","0.25","GS1015","Ben Smail, Ridha; Driss, Ahmed; Jouini, Tahar","K~4~Ni~7~(AsO~4~)~6~","Acta Crystallographica Section C","1999","55","3","284","286","10.1107/S0108270198012293","","","0.71069","MoKα","","0.0379","0.0339","","0.0812","0.0798","","","","1.264","1.306","1.306","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008259","11.992","0.003","15.932","0.002","7.222","0.002","90","","90","","90","","1379.8","0.5","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","Strontium vanadium monophosphate","","","- O10 P2 Sr V2 -","- O10 P2 Sr V2 -","- O80 P16 Sr8 V16 -","8","0.5","GS1016","Berrah, Fadila; Leclaire, André; Borel, Marie-Madeleine; Guesdon, Anne; Raveau, Bernard","A new vanadium(IV) monophosphate, Sr(VO)~2~(PO~4~)~2~, isotypic with Ca(VO)~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","3","288","291","10.1107/S0108270198012372","","","0.71073","Mo_Kα","","0.042","0.042","","0.041","0.041","","","","2.454","2.454","2.454","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008260","25.867","0.002","17.085","0.002","20.363","0.003","90","","106.328","0.002","90","","8636.2","1.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 N3 O9 -","- C51 H53 N3 O9 -","- C408 H424 N24 O72 -","8","2","GS1018","Thuéry, Pierre; Nierlich, Martine; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","A 2,2'-azobenzene-substituted calix[4]arene-crown-6","Acta Crystallographica Section C","1999","55","3","443","445","10.1107/S0108270198013882","","","0.71073","MoKα","","","0.0591","","0.1638","0.1015","","","","0.822","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008261","7.7385","0.0012","12.199","0.003","20.667","0.002","90","","99.735","0.018","90","","1922.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethyl-2,3-dihydro-4H-pyrido[3,2-e]-1,2,4-thiadiazine 1,1-dioxide","","- C8 H11 N3 O2 S -","- C8 H11 N3 O2 S -","- C64 H88 N24 O16 S8 -","8","2","GS1021","Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal","4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","3","461","464","10.1107/S0108270198013894","","","1.5418","CuKα","","0.0852","0.0453","","","","0.1317","","","","","","0.943","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008262","8.1628","0.0004","11.6259","0.0008","10.2405","0.0011","90","","97.841","0.007","90","","962.74","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethyl-2,3-dihydro-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C8 H11 N3 O2 S -","- C8 H11 N3 O2 S -","- C32 H44 N12 O8 S4 -","4","1","GS1021","Dupont, Léon; Pirotte, Bernard; Podona, Tchao; Diouf, Ousmane; Delarge, Jacques; De Tullio, Pascal","4-Ethyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide and 4-ethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","3","461","464","10.1107/S0108270198013894","","","1.5418","CuKα","","0.0463","0.0382","","","","0.1064","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008263","10.313","0.004","11.871","0.002","12.713","0.002","90","","90","","90","","1556.4","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(S)-7-methoxy-2-(3-(R)-4,5-dihydro-4,4-dimethyl-3H-2-oxo-3-oxicarbonyl)- 2,3-dihydro-1,4-benzodioxin","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","GS1024","Mostafa Khouili; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia; Abdelaman Souizi; Gerard Coudert; Gerald Guillaumet","(3<i>R</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (<i>2S</i>)-7-methoxy-2,3-dihydro-1,4-benzodioxin-2-carboxylate","Acta Crystallographica Section C","1999","55","3","387","389","10.1107/S0108270198013900","","","0.71069","MoKα","","0.0631","0.0536","","","","0.152","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008264","14.618","0.003","9.323","0.002","25.766","0.005","90","","99.31","0.03","90","","3465.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acetato-O,O')-(acetato-O)-(2,9-dimethyl-1,10-phenanthroline) zinc(ii)","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C144 H144 N16 O32 Zn8 -","8","1","HA1237","Harvey, Miguel; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro W.","(Acetato-<i>O</i>,<i>O</i>')(acetato-<i>O</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section C","1999","55","3","308","310","10.1107/S0108270198013481","","","0.71073","MoKα","","0.083","0.037","","","","0.121","","","","","","1.015","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008265","9.034","0.002","10.155","0.001","12.368","0.002","110.35","0.01","89.9","0.02","103.02","0.01","1032.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","HA1241","Alok K. Mukherjee; Rajib Lal De; Indrajit Banerjee; Chitra Samanta; Nirmalya P. Nayak","6-[<i>N</i>-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section C","1999","55","3","407","410","10.1107/S0108270198013912","","","1.5418","CuKα","","0.0574","0.0499","","0.1316","0.1248","","","","1.053","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008266","4.5686","0.0001","15.7687","0.0002","20.1621","0.0004","90","","90","","90","","1452.5","0.05","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Aminopyrimidine and p-phenylenediacetic acid","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","0.5","HA1242","Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam","2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal","Acta Crystallographica Section C","1999","55","3","399","401","10.1107/S0108270198013626","","","0.71073","MoKα","","0.116","0.059","","","","0.161","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008267","12.225","0.002","13.29","0.003","12.387","0.003","90","","90","","90","","2012.5","0.7","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trimethylphosphonium trichlorogermanate(II)","Trimethylphosphonium trichlorogermanate(II)","","- C3 H10 Cl3 Ge P -","- C3 H10 Cl3 Ge P -","- C24 H80 Cl24 Ge8 P8 -","8","1","JZ1290","Gabriele Kociok-Köhn; Johannes G. Winter; Alexander C. Filippou","Trimethylphosphonium trichlorogermanate(II)","Acta Crystallographica Section C","1999","55","3","351","353","10.1107/S010827019801169X","","","0.71073","MoKα","","0.0365","0.0307","","","","0.0845","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008268","9.674","0.002","8.482","0.002","17.446","0.004","90","","104.81","0.02","90","","1384","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3,7-diethyl-3,7-diazanonane-1,9-dithiolato-S,N,N'S')nickel(II)","","- C11 H24 N2 Ni S2 -","- C11 H24 N2 Ni S2 -","- C44 H96 N8 Ni4 S8 -","4","1","JZ1315","Jörg Schneider; Ralf Hauptmann; Frank Osterloh; Gerald Henkel","(3,7-Diethyl-3,7-diazanonane-1,9-dithiolato-<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>')nickel(II)","Acta Crystallographica Section C","1999","55","3","328","330","10.1107/S0108270198012578","","","0.71073","MoKα","","","0.024","","","","0.058","","","","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008269","9.304","0.002","10.9792","0.0013","13.685","0.003","107.896","0.01","107.812","0.014","96.383","0.011","1233.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(triphenylphosphine)-1κP,2κP-dicopper(I) Di(triphenylphosphine) Diquinoline Bis(μ-Iodine) Dicopper","","- C54 H44 Cu2 I2 N2 P2 -","- C54 H44 Cu2 I2 N2 P2 -","- C54 H44 Cu2 I2 N2 P2 -","1","0.5","JZ1317","Jin, Qiong-Hua; Wang, Yu-Xian; Xin, Xiu-Lan","Di-μ-iodo-1:2κ^4^<i>I</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I)","Acta Crystallographica Section C","1999","55","3","341","343","10.1107/S010827019801333X","","","0.71073","MoKα","","","0.029","","","","0.065","","","","","","1.023","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008270","8.8005","0.0003","11.1","0.0005","11.628","0.0005","89.746","0.002","69.678","0.003","75.414","0.003","1026.53","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Gd N6 O12 -","- C15 H17 Gd N6 O12 -","- C30 H34 Gd2 N12 O24 -","2","1","JZ1321","Leverd, Pascal C.; Charbonnel, Marie-Christine; Dognon, Jean-Pierre; Lance, Monique; Nierlich, Martine","Triaquabis(nitrato-<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>)gadolinium(III) nitrate","Acta Crystallographica Section C","1999","55","3","368","370","10.1107/S0108270198013316","","","0.71073","MoKα","","0.033","0.027","","0.07","0.062","","","","0.963","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008271","13.59","0.002","6.581","0.0011","9.9321","0.0014","90","","90","","90","","888.3","0.2","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Guanine dihydrochloride","","- C5 H7 Cl2 N5 O -","- C5 H7 Cl2 N5 O -","- C20 H28 Cl8 N20 O4 -","4","0.5","JZ1324","Matković-Čalogović, Dubravka; Sanković, Krešimir","Guaninium dichloride","Acta Crystallographica Section C","1999","55","3","467","469","10.1107/S0108270198014607","","","0.71073","MoKα","","0.098","0.039","","","","0.108","","","","","","1.016","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008272","11.687","0.002","7.576","0.001","24.153","0.003","90","","95.91","0.01","90","","2127.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1-(4-methylphenylazo)-2-oxo-2-phenylethyl)-(4-acetanilide) sulfone","","- C23 H21 N3 O4 S -","- C23 H21 N3 O4 S -","- C92 H84 N12 O16 S4 -","4","1","KA1293","Wojciech M. Wolf","X-ray investigations of sulfur-containing fungicides. I. 4'-{[Benzoyl(4-tolylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","1999","55","3","469","472","10.1107/S0108270198013559","","","0.71073","MoKα","","0.0598","0.0417","","","","0.1711","","","","","","1.02","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008273","9.7172","0.0006","10.2638","0.0005","10.5991","0.0004","89.996","0.004","102.938","0.004","110.121","0.004","963.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","calcium hydronium decavanadate hexadecahydrate","","- Ca2 H38 O46 V10 -","- Ca2 H38 O46 V10 -","- Ca2 H38 O46 V10 -","1","0.5","KA1295","Strukan, Neven; Cindrić, Marina; Kamenar, Boris","Ca~2~(H~3~ O)~2~[V~10~O~28~]^.^16H~2~O","Acta Crystallographica Section C","1999","55","3","291","293","10.1107/S0108270198013468","","","0.7107","MoKα","","0.048","0.03","","","","0.081","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008274","8.001","0.001","15.639","0.001","16.405","0.001","90","","94.15","0.01","90","","2047.3","0.3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","KA1300","Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen","5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene","Acta Crystallographica Section C","1999","55","3","381","383","10.1107/S0108270198013687","","","0.71073","MoKα","","","0.064","","","0.06","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008275","7.894","0.001","13.892","0.001","9.556","0.001","90","","103.28","0.02","90","","1019.9","0.2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N3 O2 -","- C12 H7 N3 O2 -","- C48 H28 N12 O8 -","4","1","KA1302","Hökelek, Tuncer; Kılıç, Emine; Aktan, Selami","1-Nitrobenzo[<i>c</i>]cinnoline","Acta Crystallographica Section C","1999","55","3","383","385","10.1107/S0108270198013560","","","0.71073","MoKα","","","0.048","","","0.06","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008276","6.1818","0.001","13.008","0.003","13.605","0.009","105","0.03","92.46","0.03","101.74","0.02","1029.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H2 F28 N4 -","- C44 H2 F28 N4 -","- C44 H2 F28 N4 -","1","0.5","LN1059","Leroy, Jacques; Bondon, Arnaud; Toupet, Loic","2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin","Acta Crystallographica Section C","1999","55","3","464","466","10.1107/S0108270198014000","","","0.71073","MoKα","","0.083","0.0421","","","","0.1267","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2008277","9.3138","0.0008","10.1641","0.0008","18.0633","0.0015","90","","90","","90","","1710","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cr O3 -","- C18 H22 Cr O3 -","- C72 H88 Cr4 O12 -","4","1","","Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós","(η^6^-Arylhimachalene)tricarbonylchromium(0)","Acta Crystallographica Section C","1999","55","","361","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008278","17.46","0.004","14.33","0.003","10.25","0.002","90","","96.73","0.03","90","","2546.9","0.9","223","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Hexacesium-hexatellurodistannate(III)","Hexacesium-hexatellurodistannate(III)","","- Cs6 Sn2 Te6 -","- Cs6 Sn2 Te6 -","- Cs24 Sn8 Te24 -","4","0.5","LN1072","Friede, Bernd; Jansen, Martin","Cs~6~Sn~2~Te~6~, a new telluridodistannate(III)","Acta Crystallographica Section C","1999","55","3","282","284","10.1107/S0108270198014681","","","0.71073","MoKα","","0.0345","0.0265","","","","0.0613","","","","","","1.199","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008279","6.039","0.002","9.587","0.003","12.598","0.006","80.32","0.03","77.51","0.02","89.48","0.03","701.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4-cyclohexyl-5-cyclohexylamine-tetrazole","","- C13 H23 N5 -","- C13 H23 N5 -","- C26 H46 N10 -","2","1","NA1380","Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun","1-Cyclohexyl-5-cyclohexylaminotetrazole","Acta Crystallographica Section C","1999","55","3","393","395","10.1107/S0108270198012888","","","0.71073","MoKα","","0.0693","0.0547","","0.1557","0.1447","","","","1.021","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008280","10.19","0.009","19.104","0.009","12.808","0.009","90","","110.67","0.06","90","","2333","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 S Sn -","- C27 H24 S Sn -","- C108 H96 S4 Sn4 -","4","1","NA1382","Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav","(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene","Acta Crystallographica Section C","1999","55","3","363","365","10.1107/S0108270198015200","","","0.71073","MoKα","","0.048","0.044","","0.098","0.094","","","","1.16","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008281","9.5512","0.0008","11.0433","0.0008","12.3793","0.001","83.38","0.008","81.737","0.008","67.018","0.007","1187.1","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 S Sn -","- C27 H24 S Sn -","- C54 H48 S2 Sn2 -","2","1","NA1382","Bruhn, Clemens; Steinborn, Dirk; Lébl, Tomáš; Holeček, Jaroslav","(<i>Z</i>)- and (<i>E</i>)-1-methylthio-1-triphenylstannyl-2-phenylethene","Acta Crystallographica Section C","1999","55","3","363","365","10.1107/S0108270198015200","","","0.71073","MoKα","","0.077","0.051","","0.189","0.132","","","","1.239","1.008","1.008","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008282","8.3987","0.0015","6.89","0.004","17.8585","0.0015","90","","90.868","0.011","90","","1033.3","0.6","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O4 -","- C28 H16 N2 O4 -","- C56 H32 N4 O8 -","2","0.5","OA1075","Okuyama, Kenji; Rozhanskii, Igor; Goto, Kohei","Bilayered structure of <i>N</i>,<i>N</i>'-diphenyl-4,4'-biphthalimide","Acta Crystallographica Section C","1999","55","3","424","425","10.1107/S0108270198013080","","","0.7107","MoKα","","","0.0487","","","0.0668","","","","","1.145","1.145","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008283","5.4508","0.0012","10.2229","0.0012","8.883","0.0017","90","","91.5","0.02","90","","494.82","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indium phosphate dihydrate","Indium phosphate dihydrate","","- H4 In O6 P -","- H4 In O6 P -","- H16 In4 O24 P4 -","4","1","OH1113","Sugiyama, Kazumasa; Yu, Jihong; Hiraga, Kenji; Terasaki, Osamu","Monoclinic InPO~4~^.^2H~2~O","Acta Crystallographica Section C","1999","55","3","279","281","10.1107/S010827019801292X","","","0.71069","MoKα","","0.04","0.028","","","","0.068","","","","","","1.071","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2008284","7.118","0.001","20.894","0.001","7.768","0.002","90","","92.2","0.03","90","","1154.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 -","- C13 H15 N3 -","- C52 H60 N12 -","4","1","OS1029","S. Selladurai; R. Chandrasekaran; L. Govindasamy; P. Murugan; V. T. Ramakrishnan","2-[3-(Pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile","Acta Crystallographica Section C","1999","55","3","401","403","10.1107/S0108270198009627","","","1.5418","CuKα","","0.0629","0.059","","0.1881","0.172","","","","0.994","1.013","1.013","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008285","5.776","0.008","12.599","0.005","15.288","0.005","90","","90","","90","","1112.5","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","QA0083","Kumar, G. Biju; Shah, Amrish C.; Cardin, Christine J.; Trenkle, Markus","A substituted isoindolin-1-one derived from (<i>R</i>)-(‒)-2-amino-1-butanol","Acta Crystallographica Section C","1999","55","3","IUC9900019","","10.1107/S0108270199099758","","","0.71073","MoKα","","0.056","0.04","","0.135","0.092","","","","1","1.018","1.018","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008286","17.836","0.004","9.805","0.002","5.813","0.001","90","","90","","90","","1016.6","0.4","103","2","103","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","2,2,5,5-tetramethyl-hex-3-yne","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","0.5","QA0089","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,2,5,5-Tetramethylhex-3-yne at 281K","Acta Crystallographica Section C","1999","55","3","IUC9900016","","10.1107/S0108270199099746","","","0.71073","MoKα","","0.063","0.05","","","","0.145","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008287","7.5623","0.0002","19.8757","0.0006","21.2828","0.0006","90","","90","","90","","3198.93","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethyl-1-(2-chlorophenyl)-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione- 5-carboxylate","","- C15 H17 Cl N2 O2 S -","- C15 H17 Cl N2 O2 S -","- C120 H136 Cl8 N16 O16 S8 -","8","1","QA0090","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","Ethyl 1-(2-chlorophenyl)-4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","1999","55","3","IUC9900017","","10.1107/S0108270199099734","","","0.71073","MoKα","","0.071","0.06","","","","0.15","","","","","","1.211","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008288","11.078","0.001","11.078","0.001","16.231","0.001","90","","90","","90","","1991.9","0.3","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C8 H24 Ca Cu O14 -","- C8 H24 Ca Cu O14 -","- C32 H96 Ca4 Cu4 O56 -","4","0.25","QA0093","El-Bali, Brahim; Bolte, Michael","Redetermination of [CaCu(C~2~H~3~O~2~)~4~(H~2~ O)~2~]^.^6H~2~O at 173 K","Acta Crystallographica Section C","1999","55","3","IUC9900015","","10.1107/S0108270199099771","","","0.71073","MoKα","","0.025","0.02","","","","0.056","","","","","","1.073","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008289","9.789","0.007","12.754","0.003","24.586","0.009","90","","90","","90","","3070","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C14-oxygenated taxoid","Taxa-4(20),11-diene-2α,5α,10β,14β-tetrayl 2α,5α,10β-triacetate 14β-(2-methylbutyrate)","","- C31 H46 O8 -","- C31 H46 O8 -","- C124 H184 O32 -","4","1","QA0094","Chattopadhyay, Sunil K.; Sarkhel, Sanjay; Kulshrestha, Manish; Maulik, Prakas R.","A C-14 oxygenated taxoid from the heartwood of <i>Taxus wallichiana</i>","Acta Crystallographica Section C","1999","55","3","IUC9900014","","10.1107/S0108270199099722","","","0.71073","MoKα","","0.1324","0.0665","","0.2701","0.1886","","","","0.731","0.805","0.805","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008290","19.263","0.002","11.285","0.002","30.361","0.005","90","","104.96","0.01","90","","6376.3","1.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-oxobis[(trimethylphosphine-P)(trimethylphosphine oxide-O)dichloro- oxomolybdenum(V)] diethylether semisolvate","","- C14 H41 Cl4 Mo2 O5.5 P4 -","- C14 H41 Cl4 Mo2 O5.5 P4 -","- C112 H328 Cl32 Mo16 O44 P32 -","8","2","QB0081","Cotton, F. Albert; Daniels, Lee M.; Herrero, Santiago","μ-Oxo-bis[dichlorooxo(trimethylphosphine-<i>P</i>)(trimethylphosphine oxide-<i>O</i>)molybdenum(V)] diethyl ether hemisolvate","Acta Crystallographica Section C","1999","55","3","IUC9900018","","10.1107/S010827019909976X","","","0.71073","MoKα","","0.093","0.062","","0.147","0.117","","","","1.203","1.137","1.137","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008291","9.83","0.003","23.121","0.002","15.701","0.001","90","","105.95","0.01","90","","3431.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro{rac,trans-[1-(chloro{piperidin-1-yl})phosphino-2-bis(piperidin-1-yl)- phosphino]cyclopentane}neopentylplatinum(II) Acetone Solvate","","- C28 H55 Cl2 N3 O P2 Pt -","- C28 H55 Cl2 N3 O P2 Pt -","- C112 H220 Cl8 N12 O4 P8 Pt4 -","4","1","SK1171","Dahlenburg, Lutz; Mertel, Stefan","Chiral bisphosphanes. V. Chloro{<i>rac</i>,<i>trans</i>-1-[chloro(piperidin-1-yl)phosphino]-2-[bis(piperidin-1-yl)phosphino]cyclopentane-<i>P</i>,<i>P</i>'}neopentylplatinum(II) acetone solvate","Acta Crystallographica Section C","1999","55","3","347","349","10.1107/S010827019801498X","","","0.7107","MoKα","","","0.061","","0.103","","0.1","","","1.041","","","1.015","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008292","14.91","0.002","10.299","0.001","15.184","0.001","90","0.01","92.93","0.01","90","0.01","2328.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-ethoxycarbonylmethyl-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a] quinolizin-5-ium trifluoromethanesulfonate","","- C22 H27 F3 N2 O5 S -","- C22 H27 F3 N2 O5 S -","- C88 H108 F12 N8 O20 S4 -","4","1","SK1208","Bombicz, Petra; Kálmán, Alajos","Crystallographic evidence of the formation of an <i>N</i>-alkylated enammonium salt: 5-ethoxycarbonylmethyl-1-ethyl-2,3,6,7-tetrahydro-4<i>H</i>,12<i>H</i>-indolo[2,3-<i>a</i>]quinolizin-5-ium trifluoromethanesulfonate","Acta Crystallographica Section C","1999","55","3","454","455","10.1107/S0108270198013936","","","1.54178","CuKα","","0.0635","0.0505","","0.1609","","0.1543","","","1.083","","","1.116","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008293","7.862","0.0008","19.526","0.002","10.469","0.001","90","0.009","105.15","0.01","90","0.009","1551.3","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N N'-bis(2-methoxyethyl)pyromellitimide","2,6-bis(3oxabutyl)pyrrolo[3,4f]isoindole-1,3,5,7 tetraone","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","1","SK1219","Bernadette Suchod; Jean-Pierre Curtet; David Djurado; Michel Armand","<i>N,N</i>'-Bis(2-methoxyethyl)pyromellitimide","Acta Crystallographica Section C","1999","55","3","445","446","10.1107/S0108270198013997","","","0.71073","MoKα","","0.072","0.044","","0.04","0.036","","","","1.345","","","1.526","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008294","14.465","0.001","8.3997","0.0004","9.4614","0.0004","90","","97.74","0.01","90","","1139.1","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dicesium trimolybdate","","- Cs2 Mo3 O10 -","- Cs2 Mo3 O10 -","- Cs8 Mo12 O40 -","4","0.5","SK1225","Enjalbert, Renée; Guinneton, Frédéric; Galy, Jean","Cs~2~Mo~3~O~10~","Acta Crystallographica Section C","1999","55","3","273","276","10.1107/S0108270198012979","","","0.71069","MoKα","","0.042","0.028","","0.079","0.075","","","","1.079","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008295","10.3121","0.0004","11.3409","0.0007","12.7787","0.0008","113.224","0.005","101.056","0.004","102.401","0.004","1276.1","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(diisopropylammonium) bis(oxalatotriphenylstannate)","","- C26 H31 N O4 Sn -","- C26 H31 N O4 Sn -","- C52 H62 N2 O8 Sn2 -","2","1","SK1232","Ng, Seik Weng; Hook, James M.","Diisopropylammonium oxalatotriphenylstannate","Acta Crystallographica Section C","1999","55","3","310","312","10.1107/S0108270198011858","","","0.71073","MoKα","","0.0377","0.0275","","","","0.0656","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008296","9.6433","0.0006","21.545","0.002","25.366","0.002","101.73","0.006","93.312","0.005","96.534","0.006","5108.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquatriphenyl-μ-(N,N-3-oxapentamethylenethiocarbamoylthioacetato)tin- triphenyl(N,N-3-oxapentametheylenethiocarbamoylthioacetato)tin","","- C50 H52 N2 O7 S4 Sn2 -","- C50 H52 N2 O7 S4 Sn2 -","- C200 H208 N8 O28 S16 Sn8 -","4","2","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.084","0.048","","","","0.116","","","","","","0.994","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008297","20.771","0.001","9.1734","0.0006","22.756","0.002","90","","90","","90","","4335.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate)","","- C19 H34 N2 O3 S2 -","- C19 H34 N2 O3 S2 -","- C152 H272 N16 O24 S16 -","8","1","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.107","0.052","","","","0.131","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2008298","7.506","0.001","29.143","0.002","9.832","0.001","90","","99.04","0.01","90","","2124","0.4","130","","130","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H16 N2 O8 -","- C24 H16 N2 O8 -","- C96 H64 N8 O32 -","4","1","SK1240","Meetsma, Auke; Keller, Erik; Feringa, Ben L.","(±)-6,6'-Dinitro-1,1'-binaphthyl 2,2'-diacetate","Acta Crystallographica Section C","1999","55","3","450","452","10.1107/S0108270198013109","","","0.71073","MoKα","","0.0371","0.0321","","","","0.0825","","","","","","1.041","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008299","10.8952","0.0017","9.9647","0.001","16.288","0.004","90","","93.982","0.012","90","","1764.1","0.5","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Biphenol‒4,4'-bipyridyl (1/1)","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","SK1245","Lavender, Emma S.; Ferguson, George; Glidewell, Christopher","Self-assembled triple helices in the hydrogen-bonded structure of 2,2'-biphenol‒4,4'-bipyridyl (1/1)","Acta Crystallographica Section C","1999","55","3","430","432","10.1107/S0108270198012980","","","0.71073","MolybdenumKα","","0.1111","0.0377","","","","0.1039","","","","","","0.905","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008300","4.0188","0.0003","4.0188","0.0003","9.72","0.001","90","","90","","90","","156.99","0.02","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","Potassium tetracopper triselenide","","","- Cu4 K Se3 -","- Cu4 K Se3 -","- Cu4 K Se3 -","1","0.0625","SK1247","Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","KCu~4~Se~3~","Acta Crystallographica Section C","1999","55","3","286","288","10.1107/S0108270198014358","","","0.71073","MoKα","","0.028","0.024","","0.062","0.06","","","","1.17","1.186","1.186","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008301","7.716","0.002","8.597","0.002","12.54","0.003","80.19","0.03","74.83","0.03","81.74","0.03","786.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Ge I4 N8 -","- C32 H16 Ge I4 N8 -","- C32 H16 Ge I4 N8 -","1","0.5","SK1249","Jan Janczak; Mariola Razik; Ryszard Kubiak","Diiodo[phthalocyaninato(2‒)]germanium(IV) diiodine","Acta Crystallographica Section C","1999","55","3","359","361","10.1107/S0108270198015716","","","0.71073","MoKα","","0.091","0.037","","","","0.077","","","","","","0.925","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008302","7.941","0.003","17.481","0.002","14.511","0.003","90","","90","","90","","2014.4","0.9","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(3R,4S,4aR,10aS)-5,10-diacetyl-3,4,4a,5,6,7,10a,10-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin]-3,4-diyl diacetate","","- C18 H22 N4 O9 -","- C18 H22 N4 O9 -","- C72 H88 N16 O36 -","4","1","SK1253","Low, John N.; M. Dolores López; M. Luisa Quijano; Sánchez, Adolfo; Nogueras, Manuel","(3<i>R</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridin-3,4-diyl diacetate","Acta Crystallographica Section C","1999","55","3","452","454","10.1107/S0108270198014371","","","0.71073","MoKα","","0.054","0.039","","","","0.084","","","","","","0.837","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008303","36.925","0.004","36.925","0.004","8.256","0.002","90","","90","","120","","9749","3","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","hexanoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C19 H23 Cl N2 O7 S -","- C19 H23 Cl N2 O7 S -","- C342 H414 Cl18 N36 O126 S18 -","18","1","SX1070","Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi","Two absorption furosemide prodrugs","Acta Crystallographica Section C","1999","55","3","413","416","10.1107/S010827019801213X","","","0.71069","MoKα","","0.1034","0.0561","","","","0.1994","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008304","7.836","0.002","17.605","0.01","15.4951","0.0018","90","","94.026","0.016","90","","2132.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","benzoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C20 H17 Cl N2 O7 S -","- C20 H17 Cl N2 O7 S -","- C80 H68 Cl4 N8 O28 S4 -","4","1","SX1070","Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi","Two absorption furosemide prodrugs","Acta Crystallographica Section C","1999","55","3","413","416","10.1107/S010827019801213X","","","0.7107","MoKα","","0.0931","0.0633","","","","0.2155","","","","","","1.041","","","","has coordinates","255755","2020-10-21","18:00:00",""
"2008305","16.517","0.003","23.533","0.005","5.1124","0.0006","90","","90","","90","","1987.2","0.6","293","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d[gamma]afg","Retro-enantiomeric [gammaCONH]-achatin-I, H-D-Asp-[γCONH]-D-Ala-L-Phe-Gly-OH","","- C18 H24 N4 O7 -","- C18 H24 N4 O7 -","- C72 H96 N16 O28 -","4","1","SX1074","Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Minakata, Hiroyuki; Nomoto, Kyosuke","A β-turn retro-enantiomeric analogue of achatin-I, H‒<small>D</small>-Asp-[γCONH]-<small>D</small>-Ala‒<small>L</small>-Phe‒Gly‒OH","Acta Crystallographica Section C","1999","55","3","422","424","10.1107/S0108270198012141","","","1.5418","CuKα","","0.061","0.045","","","","0.143","","","","","","1.134","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008306","9.8951","0.0004","16.243","0.0007","25.0787","0.001","90","","90.444","0.001","90","","4030.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-iodo-dimolybdenum(I)(Mo—Mo)","","- C34 H46 I Mo2 N O6 S2 -","- C34 H46 I Mo2 N O6 S2 -","- C136 H184 I4 Mo8 N4 O24 S8 -","4","1","TA1215","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A mixed tribridging dimolybdenum(I) compound, bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-iodo-dimolybdenum(I)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1999","55","3","297","298","10.1107/S0108270198012025","","","0.71073","MoKα","","0.09","0.051","","0.089","0.078","","","","1.054","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008307","14.4791","0.0002","12.9825","0.0002","24.4658","0.0003","90","","104.79","0.001","90","","4446.58","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrabutylammonium bis(μ-benzenethiolato-S:S)hexacarbonyl-μ-pivalate-O:O'-dimolybdenum(Mo—Mo)","","- C39 H55 Mo2 N O8 S2 -","- C39 H55 Mo2 N O8 S2 -","- C156 H220 Mo8 N4 O32 S8 -","4","1","TA1216","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A dimolybdenum(I) carbonyl compound with thiolate and carboxylate bridges: tetrabutylammonium bis(μ-benzenethiolato-<i>S</i>:<i>S</i>)hexacarbonyl-μ-pivalate-<i>O</i>:<i>O</i>'-dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1999","55","3","298","300","10.1107/S0108270198012037","","","0.71073","MoKα","","0.082","0.052","","0.135","0.117","","","","1.011","1.044","1.044","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008308","12.355","0.003","11.645","0.003","12.75","0.003","90","","117.407","0.016","90","","1628.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N~1~,N~4~-Diformyl-t-5-methyl-r-2,t-3-diphenylpiperazine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","VJ1091","Laavanya. P; Panchanatheswaran. K; Murugadoss. R; Jeyaraman. R","1,4-Diformyl-<i>t</i>-5-methyl-<i>r</i>-2,<i>t</i>-3-diphenylpiperazine-1,4-dicarbaldehyde","Acta Crystallographica Section C","1999","55","3","410","411","10.1107/S0108270198011779","","","1.5418","CuKα","","0.0748","0.0627","","","","0.2266","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008309","6.698","0.001","7.171","0.001","30.604","0.005","90","","90","","90","","1470","0.4","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","BK1392","Kumaradhas, P.; Kalyanam, N.; Ravikumar, K.; Chandra Mohan, K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nirmala, K.A.","(+)-<i>cis</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide","Acta Crystallographica Section C","1999","55","4","614","615","10.1107/S0108270198012827","","","0.71073","MoKα","","","0.0438","","","0.0897","","","","","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008310","13.657","0.001","14.464","0.001","11.014","0.001","90","","112.104","0.003","90","","2015.7","0.3","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-N,N-dimethylamino-6-hydroxy-1,4-naphthoquinone","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","2","BK1411","Doriguetto, Antônio C.; Santos, Cátia A.; Raslan, Délio S.; Fernandes, Nelson G.","2-(<i>N</i>,<i>N</i>-Dimethylamino)-6-hydroxy-1,4-naphthoquinone","Acta Crystallographica Section C","1999","55","4","639","642","10.1107/S0108270198013213","","","0.71073","MoKα","","0.0949","0.054","","0.1534","","0.0958","","","0.919","1.016","1.016","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008311","22.997","0.005","8.069","0.002","20.001","0.004","90","","125","0.03","90","","3040.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-chloro-2,4-dimorpholino-5-nitrobenzene","","- C14 H18 Cl N3 O4 -","- C14 H18 Cl N3 O4 -","- C112 H144 Cl8 N24 O32 -","8","1","BK1415","Zucco, César; Neves, Ademir; Vencato, Ivo; Szpoganicz, Bruno; Bertoldi, Fabiano C.","1-Chloro-2,4-dimorpholino-5-nitrobenzene","Acta Crystallographica Section C","1999","55","4","654","656","10.1107/S0108270198014516","","","0.71073","MoKα","","0.066","0.042","","","","0.124","","","","","","1.105","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008312","10.009","0.0013","15.472","0.002","16.216","0.002","90","","90","","90","","2511.2","0.6","160","3","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Diethylaminomethyl)phenol Nitrate","diethyl(2-hydroxybenzyl)ammonium nitrate","","- C11 H18 N2 O4 -","- C11 H18 N2 O4 -","- C88 H144 N16 O32 -","8","1","BK1426","Bouayad, Abdelouahed; Dartiguenave, Michèle; Lamandé, Lydia; El Ghadraoui, El Houssine; Beauchamp, André L.","Nitrate salt of protonated 2-(diethylaminomethyl)phenol","Acta Crystallographica Section C","1999","55","4","681","683","10.1107/S0108270198014218","","","0.71073","MoKα","","0.06","0.039","","0.087","","0.082","","","1.042","","","1.209","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008313","13.855","0.004","21.573","0.006","13.163","0.004","90","","90","","90","","3934","2","295","2","295","2","","","","","","","","6","C c c 2","C 2 -2c","37","","μ-Oxo-bis-[bis-(2,2'-bi(1H-imidazole-N^3^))-oxo-rhenium(V)]tetrachloride hexahydrate, [{ReO(C~6~H~4~N~2~)~2~}~2~O]Cl~4~^.^6H~2~O.","","- C24 H36 Cl4 N16 O9 Re2 -","- C24 H24 Cl4 N16 O9 Re2 -","- C96 H96 Cl16 N64 O36 Re8 -","4","0.5","BK1428","Bélanger, Suzanne; Beauchamp, André L.","μ-Oxo-bis{bis[2,2'-bi(1<i>H</i>-imidazole-<i>N</i>^3^)]oxorhenium(V)} tetrachloride hexahydrate","Acta Crystallographica Section C","1999","55","4","517","521","10.1107/S010827019801511X","","","1.54056","CuKα","","0.051","0.03","","0.086","0.075","","","","0.6","0.68","0.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008314","7.5766","0.0006","9.6207","0.0007","11.2537","0.0009","89.227","0.001","85.764","0.001","82.531","0.001","811.12","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","8-Hydroxy-1,2,3-trimethoxybenz[a]anthracene-7,12-dione","","- C21 H16 O6 -","- C21 H16 O6 -","- C42 H32 O12 -","2","1","BK1433","Ilia A. Guzei; Alex Melekhov; George A. Kraus","A new strained angularly fused ring system: 8-hydroxy-1,2,3-trimethoxybenz[<i>a</i>]anthracene-7,12-dione","Acta Crystallographica Section C","1999","55","4","620","622","10.1107/S0108270198012840","","","0.71073","MoKα","","0.063","0.053","","","","0.163","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008315","8.8166","0.0006","9.9326","0.0006","9.9764","0.0006","76.875","0.002","76.582","0.001","74.331","0.001","805.52","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[b]fluoren-11-one-oxime","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C40 H38 N2 O6 -","2","1","BK1435","Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Nirmal Kumar Hazra; Sujit Kumar Ghorai; Gur Dayal Nigam","5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[<i>b</i>]fluoren-11-one oxime","Acta Crystallographica Section C","1999","55","4","585","586","10.1107/S0108270198015017","","","0.71073","MoKα","","0.0862","0.0576","","","","0.1714","","","","","","1.017","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008316","5.8512","0.0002","13.041","0.0006","14.8412","0.0007","90","","90","","90","","1132.47","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-imino(dimethylamino)benzenesulfonic acid","","- C9 H14 N2 O4 S -","- C9 H14 N2 O4 S -","- C36 H56 N8 O16 S4 -","4","1","BK1436","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","A Schiff base formed from sulfanilic acid and dimethylformamide","Acta Crystallographica Section C","1999","55","4","697","698","10.1107/S0108270198016060","","","0.71073","MoKα","","0.0465","0.0343","","","","0.0818","","","","","","1.129","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008317","12.014","0.006","9.8","0.002","16.068","0.003","90","","93.8","0.03","90","","1887.6","1.1","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione","","- C24 H24 S -","- C24 H24 S -","- C96 H96 S4 -","4","1","BK1440","Meyers, Cal Y.; Hou, Yuqing; Robinson, Paul D.","<i>ap</i>-9-(<i>o-tert</i>-Butylphenyl)-9-methylthiofluorene, the first isolated <i>ap</i> rotamer of a 9-substituted 9-(<i>o-tert</i>-butylphenyl)fluorene","Acta Crystallographica Section C","1999","55","4","626","628","10.1107/S010827019801453X","","","0.71069","MoKα","","0.069","0.036","","","","0.102","","","","","","1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008318","10.8956","0.0009","8.2532","0.0005","20.205","0.0012","90","","98.411","0.006","90","","1797.4","0.2","295","","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-bis(2-pyridinooxyethoxy)benzene","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","BK1447","Bryan, Jeffrey C.; Delmau, Laetitia H.; Sachleben, Richard A.; Moyer, Bruce A.","1,2-Bis[2-(pyridin-2-yloxy)ethoxy]benzene","Acta Crystallographica Section C","1999","55","4","618","620","10.1107/S0108270198016722","","","0.71073","MoKα","","0.074","0.036","","","","0.094","","","","","","1.01","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008319","10.203","0.002","13.047","0.004","15.99","0.005","68.54","0.03","85.85","0.02","76.48","0.02","1925.9","1","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","bis-triphenylphosphane silver 1-phenyltetrazolethiolate","","- C44 H39 Ag N4 O P2 S -","- C44 H39 Ag N4 O P2 S -","- C88 H78 Ag2 N8 O2 P4 S2 -","2","1","BM1275","Molloy, Kieran C.; Mahon, Mary F.; Barret, Marie C.","(1-Phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)bis(triphenylphosphine)silver(I) methanol solvate","Acta Crystallographica Section C","1999","55","4","555","557","10.1107/S0108270199000311","","","0.71069","MoKα","","0.049","0.029","","0.071","0.065","","","","1.015","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008320","10.0761","0.0012","10.6819","0.0013","10.9819","0.0012","63.847","0.002","72.015","0.003","79.359","0.002","1007.5","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cu3 N4 O10 -","- C42 H46 Cu3 N4 O10 -","- C42 H46 Cu3 N4 O10 -","1","0.5","BM1276","Atakol, Orhan; Arici, Cengiz; Ercan, Filiz; Ülkü, Dinçer","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}copper(II) dioxane solvate","Acta Crystallographica Section C","1999","55","4","511","513","10.1107/S0108270198014334","","","0.71073","MoKα","","","0.044","","","0.046","","","","","0.96","0.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008321","6.9693","0.0002","9.5268","0.0003","11.1032","0.0004","97.595","0.001","104.295","0.0005","95.327","0.002","702.04","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Phenyl 5-(2-chlorophenyl) 1,2,4-triazole-3-thione","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C28 H20 Cl2 N6 S2 -","2","1","BM1285","Kumaran,D.; Ponnuswamy,M.N.; Jayanthi,G.; Ramakrishnan, V.T.; Chinnakali, K.; Fun, H.-K.","3-(2-Chlorophenyl)-4-phenyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","4","581","582","10.1107/S0108270198013808","","","0.71073","MoKα","","0.0691","0.0478","","0.1288","0.1126","","","","1.043","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008322","8.778","0.002","8.781","0.001","10.998","0.002","85.52","0.01","85.42","0.02","78.57","0.01","826.6","0.3","203","2","203","2","","","","","","","","3","P -1","-P 1","2","4,4'‒Bipyridyl","4,4'‒Bipyridinyl","","- C20 H16 N4 -","- C10 H8 N2 -","- C40 H32 N8 -","4","2","BM1287","Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C; Pemble, Martyn E.; Thompson, J. Robin","4,4'-Bipyridyl at 203K","Acta Crystallographica Section C","1999","55","4","672","674","10.1107/S0108270198016333","","","0.71073","MoKα","","0.0921","0.0514","","0.1341","","0.1341","","","1.01","","","1.01","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008323","8.915","0.004","10.623","0.004","17.243","0.005","90","","90","","90","","1633","1.1","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diosbulbin-B","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","BM1291","Singh, Amarjit; Parmar, Virinder S.; Errington, William; Howarth, Oliver W.; Lawrie, Stephen","Diosbulbin B, a constituent of <i>Dioscorea pentaphylla</i>","Acta Crystallographica Section C","1999","55","4","559","561","10.1107/S0108270198014978","","","0.71073","MoKα","","0.064","0.044","","","","0.097","","","","","","1.106","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008324","9.022","0.003","15.576","0.002","13.489","0.003","90","","103.52","0.02","90","","1843","0.8","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl-5,7,8-tri-O-acetyl-2-deoxy-α-D-erythro-L-arabino-oct-3-ulofuranosid- 1,4-lactone","","- C16 H22 O10 -","- C16 H22 O10 -","- C64 H88 O40 -","4","2","BM1305","Linden, Anthony; Lee, C. Kuan; Li, Xiaofeng","A fused furanoside-1,4-lactone at 173K","Acta Crystallographica Section C","1999","55","4","642","644","10.1107/S0108270198016692","","","0.71073","MoKα","","0.089","0.044","","","","0.114","","","","","","1.023","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008325","18.5888","0.0012","8.1378","0.001","28.964","0.002","90","","90","","90","","4381.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 N2 O11 S2 -","- C14 H34 N2 O11 S2 -","- C112 H272 N16 O88 S16 -","8","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.058","0.033","","","","0.074","","","","","","0.883","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008326","11.67","0.003","15.623","0.005","14.528","0.004","90","","108.74","0.03","90","","2508.3","1.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminopyridinium Di(methanesulfonyl)amidate 1,4,7,1O,13,16-Hexaoxacyclooctadecane (1/1/1)","","- C19 H37 N3 O10 S2 -","- C19 H37 N3 O10 S2 -","- C76 H148 N12 O40 S8 -","4","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.049","0.038","","","","0.094","","","","","","1.061","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008327","9.782","0.002","10.283","0.002","10.497","0.002","90","","90","","90","","1055.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Mn N O7 -","- C6 H13 Mn N O7 -","- C24 H52 Mn4 N4 O28 -","4","1","BR1217","Liu, Ye-Qi; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei; Shao, Mei-Cheng","A one-dimensional coordination polymer of manganese(II) with <i>N</i>-(2-hydroxyethyl)iminodiacetate: {[Mn(Hheidi)(H~2~O)]^.^H~2~O}~<i>n~</i>","Acta Crystallographica Section C","1999","55","4","534","536","10.1107/S0108270198016084","","","0.71073","MoKα","","0.044","0.038","","0.106","0.094","","","","1.031","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008328","5.37","0.002","8.268","0.004","12.693","0.003","90","","90.37","0.02","90","","563.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium iron II diphosphate","","","- Fe O7 P2 Sr -","- Fe O7 P2 Sr -","- Fe4 O28 P8 Sr4 -","4","1","BR1225","Le Meins, Jean-Marc; Courbion, Georges","SrFeP~2~O~7~, a new homologue in the <i>AM</i>P~2~O~7~ series","Acta Crystallographica Section C","1999","55","4","481","483","10.1107/S0108270198017375","","","0.71073","MoKα","","0.054","0.033","","0.09","0.084","","","","1.018","1.082","1.082","","","","","has coordinates","191888","2020-10-21","18:00:00",""
"2008329","10.2357","0.0014","10.2357","0.0014","3.5425","0.0007","90","","90","","90","","371.15","0.1","293","2","293","2","","","","","","","","2","I 4/m","-I 4","87","","","","- Sb4 Ta5 -","- Sb4 Ta5 -","- Sb8 Ta10 -","2","0.125","BR1226","Kang, Sung Kwon; Miller, Gordon J.","Ta~5~Sb~4~","Acta Crystallographica Section C","1999","55","4","483","485","10.1107/S0108270198015881","","","0.71073","MoKα","","0.071","0.029","","","","0.065","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008330","8.9928","0.0001","11.2809","0.0002","5.48116","0.00009","90","","90","","90","","556.05","0.02","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","gadolinium gallium oxide","","","- Ga Gd3 O6 -","- Ga Gd3 O6 -","- Ga4 Gd12 O24 -","4","0.5","BR1230","Yamane, Hisanori; Sakamoto, Takashi; Kubota, Shun-ichi; Shimada, Masahiko","Gd~3~GaO~6~ by X-ray powder diffraction","Acta Crystallographica Section C","1999","55","4","479","481","10.1107/S0108270198016096","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008331","13.8627","0.0003","12.6533","0.0003","16.6278","0.0004","90","","111.697","0.001","90","","2710.02","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(C4 H12 N)4 Ge9 H12 O26 14(H2 O)","","- C16 H88 Ge9 N4 O40 -","- C16 H88 Ge9 N4 O40 -","- C32 H176 Ge18 N8 O80 -","2","0.5","BR1237","Tripathi, Akhilesh; Young Jr., Victor G.; Johnson, Geoffrey M.; Cahill, Christopher L.; Parise, John B.","[N(CH~3~)~4~]~4~H~12~Ge~9~O~26~^.^14H~2~O","Acta Crystallographica Section C","1999","55","4","496","499","10.1107/S0108270198014838","","","0.71073","MoKα","","0.0766","0.0483","","0.1096","","0.0998","","","","1.149","1.149","1.08","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2008332","20.5254","0.0013","15.1311","0.001","6.1276","0.0004","90","","90","","90","","1903.1","0.2","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2H-pyran-2-one","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","CF1285","Kumar, Rajesh; Parmar, Virinder S.; Errington, William","3-Cyano-5-(4-methoxybenzyl)-6-(4-methoxyphenyl)-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1999","55","4","561","563","10.1107/S0108270198015121","","","0.71073","MoKα","","0.067","0.047","","","","0.094","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008333","10.48","0.002","11.949","0.002","15.005","0.003","90","","90","","90","","1879","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4‒(N‒Methylnitramino)-1‒methylpyridinium bromide","","- C7 H10 Br N3 O2 -","- C7 H10 Br N3 O2 -","- C56 H80 Br8 N24 O16 -","8","1","CF1290","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz","1-Methyl-4-(<i>N</i>-methylnitramino)pyridinium bromide","Acta Crystallographica Section C","1999","55","4","691","693","10.1107/S0108270198014656","","","0.71073","MoKα","","0.0664","0.0293","","","","0.0823","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008334","13.003","0.001","8.8836","0.0006","20.196","0.002","90","","95.065","0.008","90","","2323.8","0.3","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N-phenyl benzoylhydroxamate-O,O')(acetylacetone benzoylhydrazonato-O,N,O')- oxo-vanadium(V)","","- C25 H22 N3 O5 V -","- C25 H22 N3 O5 V -","- C100 H88 N12 O20 V4 -","4","1","DA1036","Chen, Wei; Gao, Shan; Liu, Shi-Xiong","Monooxovanadium(V) complexes with bidentate <i>N</i>-phenylbenzohydroxamate","Acta Crystallographica Section C","1999","55","4","531","533","10.1107/S0108270198014875","","","0.71073","MoKα","","0.104","0.056","","0.124","0.109","","","","0.976","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008335","9.72","0.001","18.274","0.002","12.542","0.001","90","","104.868","0.009","90","","2153.2","0.4","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-phenyl benzoylhydroxamate-O,O')(N-salicylidene-L-alaninato-O,N,O')- oxo-vanadium(V)","","- C23 H19 N2 O6 V -","- C23 H19 N2 O6 V -","- C92 H76 N8 O24 V4 -","4","2","DA1036","Chen, Wei; Gao, Shan; Liu, Shi-Xiong","Monooxovanadium(V) complexes with bidentate <i>N</i>-phenylbenzohydroxamate","Acta Crystallographica Section C","1999","55","4","531","533","10.1107/S0108270198014875","","","0.71073","MoKα","","0.096","0.062","","0.145","0.129","","","","0.97","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008336","9.125","0.0007","12.769","0.001","16.428","0.002","90","","98.738","0.009","90","","1891.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylphosphoniopropionate dihydrate","","- C21 H23 O4 P -","- C21 H23 O4 P -","- C84 H92 O16 P4 -","4","1","DA1039","Ng, Seik Weng","3-Triphenylphosphoniopropionate dihydrate","Acta Crystallographica Section C","1999","55","4","646","648","10.1107/S0108270198014887","","","0.71073","MoKα","","0.1303","0.0729","","","","0.2145","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008337","15.64","0.004","22.765","0.006","5.681","0.001","90","","92.663","0.005","90","","2020.5","0.8","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-Bis(p-nitrophenylsulfonyl)cyclohexylamine","","- C18 H19 N3 O8 S2 -","- C18 H19 N3 O8 S2 -","- C72 H76 N12 O32 S8 -","4","1","DA1049","Brunzelle, Joseph S.; Curtis-Palmer, Veronica A.; Pavkovic, Stephen F.","<i>N</i>,<i>N</i>-Bis(<i>p</i>-nitrophenylsulfonyl)cyclohexylamine","Acta Crystallographica Section C","1999","55","4","624","626","10.1107/S0108270198017612","","","0.7107","MoKα","","0.0639","0.039","","0.1043","0.0969","","","","1.004","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008338","8.984","0.003","11.912","0.004","9.548","0.003","90","","108.34","0.03","90","","969.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-(Diaqua-O,O')(C-meso-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')Nickel(II) Chloride","","- C14 H36 Cl2 N4 Ni O2 -","- C14 H36 Cl2 N4 Ni O2 -","- C28 H72 Cl4 N8 Ni2 O4 -","2","0.5","DA1051","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","<i>trans</i>-Diaqua(<i>C</i>-<i>meso</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) dichloride","Acta Crystallographica Section C","1999","55","4","543","545","10.1107/S0108270198017594","","","0.71073","MoKα","","0.0506","0.045","","","","0.1436","","","","","","1.132","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008339","11.503","0.004","4.975","0.002","13.304","0.003","90","","99.86","0.02","90","","750.1","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-propylimidazolidinetrion","","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C24 H32 N8 O12 -","4","1","DA1052","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-Propylimidazolidinetrione and <i>N</i>-methyl-<i>N</i>'-phenylethylimidazolidinetrione","Acta Crystallographica Section C","1999","55","4","594","596","10.1107/S0108270198017600","","","0.71073","MoKα","","0.106","0.047","","","","0.087","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008340","49.87","0.02","5.406","0.003","8.471","0.003","90","","88.66","0.03","90","","2283.1","1.8","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-phenylethyl-N-methylimidazolidinetrione","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","DA1052","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-Propylimidazolidinetrione and <i>N</i>-methyl-<i>N</i>'-phenylethylimidazolidinetrione","Acta Crystallographica Section C","1999","55","4","594","596","10.1107/S0108270198017600","","","0.71073","MoKα","","0.174","0.052","","","","0.116","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008341","26.9834","0.0006","16.8216","0.0004","28.1","0.0004","90","","90.164","0.001","90","","12754.6","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","dodecamolybodtetrakis(p‒cyanophenyl)arsonate tetrabutylammonium salt","","","- C92 H160 As4 Mo12 N8 O46 -","- C92 H160 As4 Mo12 N8 O46 -","- C368 H640 As16 Mo48 N32 O184 -","4","0.5","DA1056","Johnson, Bret J.S.; Buss, Carrie E.; Young Jr., Victor G.; Stein, Andreas","Tetrakis(tetrabutylammonium) tetrakis[(<i>p</i>-cyanophenyl)trioxoarsonato]tetratriacontaoxododecamolybdate(4 ‒)","Acta Crystallographica Section C","1999","55","4","549","551","10.1107/S0108270198017636","","","0.71073","MoKα","","0.0833","0.0463","","0.1156","0.1024","","","","0.992","1.076","1.076","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008342","18.178","0.003","9.233","0.004","30.904","0.007","90","","101.3","0.01","90","","5086","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Chloro(diethyl dithiophosphato-S,S')(triphenylphosphine-P)palladium(II)","","- C22 H25 Cl O2 P2 Pd S2 -","- C22 H25 Cl O2 P2 Pd S2 -","- C176 H200 Cl8 O16 P16 Pd8 S16 -","8","2","DE1097","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Narayan, Sanjay; Jain, Vimal K.","Chloro(diethyl dithiophosphato-<i>S</i>,<i>S</i>')(triphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","541","543","10.1107/S0108270198014905","","","0.71073","MoKα","","0.081","0.053","","0.217","0.159","","","","1.07","0.902","0.902","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"2008343","13.9841","0.0002","16.8118","0.0002","16.8033","0.0002","90","","93.858","0.001","90","","3941.47","0.09","203","2","203","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl9 D3 N2 O6 P2 Pd -","- C28 H25 Cl9 N2 O6 P2 Pd -","- C112 H100 Cl36 N8 O24 P8 Pd4 -","4","1","FG1483","Rath, Nigam P.; Stockland Jr, Robert A.; Anderson, Gordon K.","[Bis(diphenylphosphino)methane]dinitratopalladium(II) tris(deuteriochloroform) solvate","Acta Crystallographica Section C","1999","55","4","494","496","10.1107/S0108270198016345","","","0.71073","MoKα","","0.047","0.04","","","","0.109","","","","","","1.034","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008344","7.791","0.001","11.198","0.001","16.986","0.002","90","","90","","90","","1481.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Santonic Acid","(-)-octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano- 1H-indene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FG1516","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","Santonic acid: catemeric hydrogen bonding in a γ,ε-diketo carboxylic acid","Acta Crystallographica Section C","1999","55","4","566","568","10.1107/S0108270198014231","","","0.71073","MoKα","","0.077","0.053","","0.135","0.12","","","","1.08","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008345","10.3179","0.0001","13.6397","0.0001","27.183","0.0005","90","","90","","90","","3825.55","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Leucyl-L-leucine 2-methyl-1-propanol (1:1)","","- C16 H34 N2 O4 -","- C16 H34 N2 O4 -","- C128 H272 N16 O32 -","8","2","FG1518","Görbitz, Carl Henrik","<small>L</small>-Leucyl-<small>L</small>-leucine 2-methyl-1-propanol solvate","Acta Crystallographica Section C","1999","55","4","670","672","10.1107/S0108270198016369","","","0.71073","MoKα","","0.077","0.059","","0.145","0.135","","","","1.076","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008346","9.975","0.002","9.975","0.002","10.418","0.002","90","","90","","90","","1036.6","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","FF-arabino-uridine","1-(2'-fluoro-2'-deoxy-β-D-arabinofuranosyl) -5-fluoro-2,4(1H,3H)-pyrimidinedione","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","FG1521","Hempel, Andrew; Camerman, Norman; Grierson, John; Mastropaolo, Donald; Camerman, Arthur","FF-β-<small>D</small>-Arabinofuranosyluracil","Acta Crystallographica Section C","1999","55","4","632","633","10.1107/S0108270198015455","","","1.54178","CuKα","","0.029","0.0284","","","","0.0917","","","","","","0.865","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008347","9.305","0.002","12.78","0.003","10.444","0.003","90","","101.79","0.02","90","","1215.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(+/-)-10a-Carboxy-1,9,10,10a-tetrahydrophenanthren-3(2H)-one","(+/-)-10a-Carboxy-1,9,10,10a-tetrahydrophenanthren-3(2H)-one","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","FG1524","Miller, Alan J.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Oxo-1,2,3,9,10,10a-hexahydrophenanthrene-10a-carboxylic acid: catemeric hydrogen bonding in a δ-keto acid","Acta Crystallographica Section C","1999","55","4","563","566","10.1107/S0108270198017417","","","0.71073","MoKα","","0.123","0.059","","0.138","0.109","","","","1.04","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008348","8.945","0.001","10.318","0.001","10.127","0.001","90","","96.4","0.01","90","","928.84","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-Indanone-2-acetic Acid","(+\-)-2-(carboxymethyl)-2,3-dihydro-1H-indene-1-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1525","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-1-Indanone-2-acetic and -2-propionic acids: catemeric <i>versus</i> dimeric hydrogen bonding in homologous γ- and δ-keto acids","Acta Crystallographica Section C","1999","55","4","568","572","10.1107/S0108270198017405","","","0.71073","MoKα","","0.069","0.043","","","","0.108","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008349","8.093","0.001","8.326","0.001","15.614","0.002","90","","96.2","0.01","90","","1046","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-Indanone-2-propionic Acid","(+\-)-2-(2-carboxyethyl)-2,3-dihydro-1H-inden-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","FG1525","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-1-Indanone-2-acetic and -2-propionic acids: catemeric <i>versus</i> dimeric hydrogen bonding in homologous γ- and δ-keto acids","Acta Crystallographica Section C","1999","55","4","568","572","10.1107/S0108270198017405","","","0.71073","MoKα","","0.074","0.048","","","","0.134","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008350","13.2974","0.0006","7.9474","0.0004","27.3988","0.0014","90","","90","","90","","2895.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,4-Dihydro-1H-isoquinoline-2-carbamoyl-3-methylimidazolium Iodide","","- C14 H16 I N3 O -","- C14 H16 I N3 O -","- C112 H128 I8 N24 O8 -","8","1","FG1529","Batey, Robert A.; Yoshina-Ishii, Chiaki; Lough, Alan J.","3-Methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl)imidazolium iodide","Acta Crystallographica Section C","1999","55","4","615","618","10.1107/S0108270198016473","","","0.71073","MoKα","","0.086","0.041","","","","0.091","","","","","","0.981","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008351","16.38","0.003","6.536","0.002","8.514","0.002","90","","90","","90","","911.5","0.4","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","2,3-Dicyano-1,4-dihydroxybenzene","","","- C8 H2 Cl2 N2 O2 -","- C8 H2 Cl2 N2 O2 -","- C32 H8 Cl8 N8 O8 -","4","0.5","FG1531","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","Redetermination of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene","Acta Crystallographica Section C","1999","55","4","592","594","10.1107/S0108270198017399","","","0.7107","MoKα","","0.038","0.031","","","","0.058","","","","","","0.991","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008352","9.6682","0.0009","33.169","0.002","9.9711","0.0008","90","","98.82","0.01","90","","3159.8","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H48 O4 Si4 -","- C23 H48 O4 Si4 -","- C92 H192 O16 Si16 -","4","1","FR1141","Moreno-Fuquen, Rodolfo; Jaramillo-Gómez, Luz Marina; Martín-Franco, Jaime","(<i>E</i>)-Dimethyl 4-isopropyl-3-[tris(trimethylsilyl)silylmethylene]-1,1-cyclohexanedicarboxylate","Acta Crystallographica Section C","1999","55","4","630","632","10.1107/S010827019801378X","","","0.71073","MoKα","","0.1005","0.0534","","0.1799","0.135","","","","1.097","1.015","1.015","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008353","9.153","0.001","11.495","0.001","10.277","0.001","90","","93.161","0.004","90","","1079.64","0.18","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'H)-furan]-2'10-dione","","- C12 H15 N O3 -","- C12 H14.76 N O3 -","- C48 H59.04 N4 O12 -","4","2","FR1145","Lynch, Vincent M.; Bur, Scott K.; Martin, Stephen F.","Spiro[1-azabicyclo[5.3.0]decane-6,2'(5'<i>H</i>)-furan]-5',10-dione: an example of kryptoracemic crystallization","Acta Crystallographica Section C","1999","55","4","622","624","10.1107/S0108270198012748","","","0.71073","MoKα","","0.0377","0.0337","","0.0824","0.0796","","","","1.006","1.015","1.015","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008354","7.736","0.006","11.69","0.004","14.704","0.005","82.58","0.04","79.28","0.04","88.56","0.04","1295.6","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","2","FR1151","Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J.","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","Acta Crystallographica Section C","1999","55","4","634","636","10.1107/S0108270198014929","","","0.71073","MoKα","","0.092","0.055","","","","0.154","","","","","","1.031","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008355","9.2792","0.0002","8.7627","0.0002","20.1726","0.0005","90","","98.445","0.001","90","","1622.47","0.07","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","FR1151","Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J.","2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione","Acta Crystallographica Section C","1999","55","4","634","636","10.1107/S0108270198014929","","","0.71073","MoKα","","0.043","0.035","","","","0.094","","","","","","1.042","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008356","5.406","0.004","6.512","0.004","13.118","0.005","74.52","0.03","79.4","0.03","70.3","0.03","416.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate","Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate","","- C12 H14 Cu N4 O12 -","- C12 H14 Cu N4 O12 -","- C12 H14 Cu N4 O12 -","1","0.5","FR1155","Sobanska, Sophie; Lagrenee, Michel; Wignacourt, Jean-Pierre; Holt, Elizabeth M.","Diaquabis(pyridazin-1-ium-3,6-dicarboxylato-<i>N</i>^2^,<i>O</i>^3^)copper(II) dihydrate","Acta Crystallographica Section C","1999","55","4","553","555","10.1107/S0108270199000116","","","0.71069","MoKα","","0.038","0.035","","","","0.09","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008357","27.7745","0.0012","7.327","0.0003","11.9575","0.0005","90","","91.126","0.001","90","","2432.93","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","FR1156","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhong-Lin Lu; Bei-Sheng Kang","<i>p</i>-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate","Acta Crystallographica Section C","1999","55","4","574","576","10.1107/S0108270198015893","","","0.71073","MoKα","","0.1211","0.0639","","","","0.146","","","","","","1.058","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008358","9.9152","0.0006","11.0521","0.0007","13.763","0.001","69.6","0.005","73.969","0.006","65.035","0.005","1266.67","0.16","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C56 H54 N2 O12 -","2","1","FR1166","Özbey, Süheyla; Kendi, Engin; Kılcıgil Ayhan, Gülgün; Ertan, Rahmiye","A flavone 1,4-dihydropyridine calcium antagonist","Acta Crystallographica Section C","1999","55","4","678","680","10.1107/S0108270198014930","","","0.71069","MoKα","","","0.047","","","0.054","","","","","1.05","1.05","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008359","12.5684","0.0009","14.4723","0.001","6.1016","0.0009","90","","90","","90","","1109.8","0.2","150","2","150","2","","","","","","","","2","P n a 21","P 2c -2n","33","Acefluoranthylene","Cyclopenta[cd]fluoranthene","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","GD1006","Lutz, Martin; Spek, Anthony L.; Sarobe, Martin; Jenneskens, Leonardus W.","Acefluoranthylene","Acta Crystallographica Section C","1999","55","4","659","661","10.1107/S0108270198013298","","","0.71073","MoKα","","0.04","0.034","","","","0.089","","","","","","1.024","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008360","13.271","0.002","6.674","0.002","14.79","0.001","90","","97.505","0.01","90","","1298.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","t-butylammonium hydrogenphenylphosphate","","- C10 H18 N O4 P -","- C10 H18 N O4 P -","- C40 H72 N4 O16 P4 -","4","1","GD1010","Reinoso, Santiago; Vitoria, Pablo; Ugalde, Maria; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Román, Pascual","<i>tert</i>-Butylammonium hydrogen phenyl phosphate","Acta Crystallographica Section C","1999","55","4","683","685","10.1107/S0108270198016734","","","0.71069","MoKα","","","0.037","","0.053","0.043","","","","","","","3.11","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008361","10.494","0.004","13.11","0.004","13.485","0.004","90","","90","","90","","1855.2","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Complexe de cuivre(II) diamino-1,2(cyclohexane diacétatodiacétique) trihydrate","","- C14 H26 Cu N2 O11 -","- C14 H26 Cu N2 O11 -","- C56 H104 Cu4 N8 O44 -","4","1","GS1006","Ben Amor, Fatma; Jouini, Tahar","Complexe de cuivre(II) diamino-1,2-(cyclohexane diacétatodiacétique) trihydrate","Acta Crystallographica Section C","1999","55","4","499","501","10.1107/S0108270198011561","","","0.71069","MoKα","","0.048","0.037","","0.1","0.09","","","","1.093","1.061","1.061","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008362","7.095","0.002","11.761","0.004","8.419","0.003","90","","98.4","0.02","90","","695","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Aqua(N,N,N',N'-tetramethylethylenediamine)diisothiocyanato-copper(II)","","- C8 H18 Cu N4 O S2 -","- C8 H18 Cu N4 O S2 -","- C16 H36 Cu2 N8 O2 S4 -","2","1","GS1023","Vrábel, Viktor; Garaj, Ján; Sivý, Július; Oktavec, Drahomír","Aquadiisothiocyanato(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","1999","55","4","551","553","10.1107/S0108270198014553","","","0.71069","MoKα","","0.033","0.024","","0.06","0.059","","","","0.83","0.901","0.901","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008363","8.761","0.0005","8.8907","0.0004","10.4403","0.0006","112.419","0.004","106.101","0.005","96.407","0.004","700.3","0.08","293","","","","","","","","","","","4","P -1","-P 1","2","","diclhoro (phenylethinyl)(butyl)tellurium(IV)","","- C12 H14 Cl2 Te -","- C12 H14 Cl2 Te -","- C24 H28 Cl4 Te2 -","2","1","GS1025","Zukerman-Schpector, J.; Camillo, Robinson L.; Dabdoub, Miguel J.; Begnini, Mauro L.; Caracelli, I.","Butyldichloro(phenylethynyl)tellurium(IV)","Acta Crystallographica Section C","1999","55","4","648","650","10.1107/S0108270198014565","","","0.71073","MoKα","","0.03","0.028","","0.077","","0.075","","","1.117","","","1.122","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008364","14.361","0.002","13.711","0.002","7.475","0.002","90","","90","","90","","1471.9","0.5","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H17 N O6 P2 -","- C11 H17 N O6 P2 -","- C44 H68 N4 O24 P8 -","4","1","GS1026","Saint-Clair, Jean-François; Siméon, Fabrice; Villemin, Didier; Averbuch-Pouchot, Marie-Thérèse","2-Hydroxy-5-methyl-2-oxo-6-phenyl-4-phosphonomethyl-1,4,2-oxazoniaphosphorinane","Acta Crystallographica Section C","1999","55","4","588","590","10.1107/S0108270198016643","","","0.7107","MoKα","","0.0264","0.0264","","0.0331","0.0331","","","","1.836","1.836","1.836","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008365","12.7246","0.0015","9.5273","0.0017","18.451","0.002","90","","93.098","0.012","90","","2233.6","0.5","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-methylbenzoyl)-6-(4-methylbenzilidene)-3-phenyl-2oxa-3-azabicyclo[3.3.0] oct-7-ene","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","GS1028","Djapa, Francis; Ciamala, Kabula; Vebrel, Joël; Kubicki, Marek M.; Blacque, Olivier","4-(4-Methylbenzoyl)-6-(4-methylbenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene","Acta Crystallographica Section C","1999","55","4","677","678","10.1107/S0108270198015947","","","0.71073","MoKα","","0.1658","0.0502","","","","0.1564","","","","","","0.995","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008366","3.7946","0.0002","19.1766","0.0007","13.0641","0.0006","90","","96.893","0.001","90","","943.77","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyrimidine-Fumaric Acid (1:2) co-crystal","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C32 H36 N12 O16 -","4","1","HA1239","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","2-Aminopyrimidine‒fumaric acid cocrystal","Acta Crystallographica Section C","1999","55","4","583","585","10.1107/S0108270198014127","","","0.71073","MoKα","","0.103","0.067","","","","0.184","","","","","","1.055","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008367","7.1276","0.0006","7.886","0.0006","8.9938","0.0007","100.143","0.002","91.493","0.002","110.972","0.001","462.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Acetylamino-6-methylpyridine N-oxide monohydrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","HA1243","Shyamaprasad Goswami; Kumaresh Ghosh; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","2-Acetylamino-6-methylpyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","1999","55","4","579","581","10.1107/S0108270198014139","","","0.71073","MoKα","","0.071","0.05","","","","0.161","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008368","13.585","0.002","35.391","0.007","7.067","0.002","90","","90","","90","","3397.7","1.3","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-aminoethyl)-2,3-diphenylpiperazine hydrochloride","","- C18 H24 Cl N3 -","- C18 H24 Cl N3 -","- C144 H192 Cl8 N24 -","8","1","HA1247","Sarmistha Basu Majumder; Monika Mukherjee; Goutam Kumar Patra; Dipankar Datta; Madeleine Helliwell","2-(2,3-Diphenylpiperazin-1-yl)ethylammonium chloride","Acta Crystallographica Section C","1999","55","4","668","670","10.1107/S0108270198017648","","","1.5418","CuKα","","0.14","0.0561","","0.2646","0.1371","","","","1.056","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008369","7.375","0.0001","12.53","0.0002","15.8752","0.0002","84.095","0.001","86.38","0.001","77.933","0.001","1425.67","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3,5,7,3'-tetrahydroxy-4'-methoxyflavone monohydrate","","- C16 H14 O8 -","- C16 H14 O8 -","- C64 H56 O32 -","4","2","HA1249","Nor Syarmila Shuib; Teng Wah Sam; Keng Chong Wong; Kandasamy Chinnakali; Hoong-Kun Fun","Tamarixetin monohydrate","Acta Crystallographica Section C","1999","55","4","576","578","10.1107/S0108270198017430","","","0.71073","MoKα","","0.076","0.059","","","","0.163","","","","","","1.184","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008370","31.425","0.005","14.289","0.002","12.375","0.002","90","","90","","90","","5556.8","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Cl N3 O8 Zn -","- C26 H36 Cl N3 O8 Zn -","- C208 H288 Cl8 N24 O64 Zn8 -","8","1","JZ1294","Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Huttner, Gottfried; Rutsch, Peter","[3,3'-Iminobis(<i>N</i>,<i>N</i>-dimethylpropylamine)](4'-methoxyflavonolato)zinc(II) perchlorate, [Zn(4'-MeOfla)(idpaH)]ClO~4~","Acta Crystallographica Section C","1999","55","4","557","558","10.1107/S0108270198016795","","","0.71073","MoKα","","0.097","0.059","","","","0.104","","","","","","1.123","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008371","11.684","0.002","14.943","0.003","16.749","0.003","105.79","0.01","106.85","0.01","91.36","0.01","2676.4","0.9","293","2","","","","","","","","","","7","P -1","-P 1","2","","Chlorobis-[1,2-bis(diphenylphosphino)ethane]oxotungsten(IV) hexafluorophospate chloroform solvate","","- C53 H49 Cl4 F6 O P5 W -","- C53 H49 Cl4 F6 O P5 W -","- C106 H98 Cl8 F12 O2 P10 W2 -","2","1","JZ1303","Llusar, R.; Mata, J.; Peris, E.; Köckerling, M.","The oxotungsten(IV) complex [WOCl(Ph~2~PCH~2~CH~2~PPh~2~)~2~]PF~6~^.^CHCl~3~","Acta Crystallographica Section C","1999","55","4","506","508","10.1107/S0108270198015856","","","0.71073","MoKα","","","0.046","","","","0.048","","","","1.421","1.421","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008372","11.663","0.004","25.704","0.005","12.07","0.004","90","","103.856","0.014","90","","3513.1","1.8","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxo-bis-[N,N'-ehtylene-bis(2-thioacetophenonidenimine)iron(III)]","","- C36 H36 Fe2 N4 O S4 -","- C36 H36 Fe2 N4 O S4 -","- C144 H144 Fe8 N16 O4 S16 -","4","1","JZ1316","Karsten, Peter; Strähle, Joachim","μ-Oxo-bis[<i>N</i>,<i>N</i>'-ethylenebis(2-thioacetophenonidenimine)iron(III)]","Acta Crystallographica Section C","1999","55","4","488","489","10.1107/S0108270198014826","","","1.5418","CuKα","","0.0909","0.0563","","0.194","","0.1514","","","0.931","","","0.854","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008373","3.9321","0.0008","10.886","0.002","8.3","0.0009","90","","103.6","0.01","90","","345.32","0.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 O2 S4 -","- C4 O2 S4 -","- C8 O4 S8 -","2","0.5","JZ1320","Harald Müller; Marie-Thérèse Averbuch","1,3,4,6-Tetrathiapentalene-2,5-dione","Acta Crystallographica Section C","1999","55","4","590","592","10.1107/S0108270198014346","","","0.7107","MoKα","","0.0295","0.0295","","0.0448","0.0448","","","","1.919","1.919","1.919","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008374","26.392","0.006","8.041","0.001","18.168","0.004","90","","132.39","0.01","90","","2847.6","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-[N,N'-diethyl-N,N'-bis(β-mercaptoethyl)-1,3- propanediamine]}dimanganese(II).","","- C22 H48 Mn2 N4 S4 -","- C22 H48 Mn2 N4 S4 -","- C88 H192 Mn8 N16 S16 -","4","0.5","JZ1322","Jörg Schneider; Birgit Schnautz; Ralf Hauptmann; Gerald Henkel","Bis(μ-3,7-diethyl-3,7-diazanonane-1,9-dithiolato)dimanganese(II)","Acta Crystallographica Section C","1999","55","4","489","491","10.1107/S0108270198016485","","","0.71073","MoKα","","","0.0245","","","","0.0646","","","","1.091","1.091","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2008375","9.798","0.003","18.752","0.004","19.246","0.002","90","","90","","90","","3536.1","1.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R,6S)-2-benzylcarbamoyl-6-bromo-3,3-dimethyl-4-thia-1- -azabicyclo[3.2.0]heptan-7-one 4-oxide hydrate","","- C15 H19 Br N2 O4 S -","- C15 H19 Br N2 O4 S -","- C120 H152 Br8 N16 O32 S8 -","8","2","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.28","0.069","","0.178","0.118","","","","0.969","1.239","1.239","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2008376","5.295","0.006","11.559","0.008","11.698","0.011","90","","90.64","0.08","90","","715.9","1.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R)-3-benzylimino-2-isopropylidene-4-thia-1-azabicyclo[3.2.0]heptan-7-one","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C30 H32 N4 O2 S2 -","2","1","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.128","0.061","","0.143","0.115","","","","0.992","1.164","1.164","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008377","12.5516","0.0015","7.6362","0.0007","19.828","0.002","90","","94.049","0.011","90","","1895.7","0.3","134","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-2-(3,3-dimethyl-2-butylidene)hydrazine.","","- C8 H16 N2 O -","- C8 H16 N2 O -","- C64 H128 N16 O8 -","8","2","KA1301","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","1-Acetyl-2-(3,3-dimethyl-2-butylidene)hydrazine: a monoclinic crystal structure with local orthorhombic pseudosymmetry","Acta Crystallographica Section C","1999","55","4","689","691","10.1107/S0108270198015157","","","0.71073","Mo-Kα","","","0.063","","","0.053","","","","","1.283","1.283","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008378","14.0723","0.0009","7.462","0.002","21.489","0.001","90","","90","","90","","2256.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Dibromobiphenyl","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C96 H64 Br16 -","8","1","LN1062","MacNeil, Dean D.; Decken, Andreas","2,2'-Dibromobiphenyl","Acta Crystallographica Section C","1999","55","4","628","630","10.1107/S0108270198015339","","","1.54178","CuKα","","","0.0326","","","","0.113","","","","","","1.032","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008379","14.627","0.003","15.834","0.004","43.135","0.013","90","","90","","90","","9990","4","203","1","203","1","","","","","","","","5","F 2 d d","F -2d 2","43","","1,13-Diaza-2,14-cyclotetraeicosanedione","","- C22 H43 Cl N2 O2 -","- C22 H43 Cl N2 O2 -","- C352 H688 Cl16 N32 O32 -","16","1","LN1071","Escudero, Encarnacion; Subirana, José A.; Solans, Xavier","Amino-11-undecanoic acid cyclic dimer hydrochloride","Acta Crystallographica Section C","1999","55","4","644","646","10.1107/S0108270198015480","","","0.71069","MoKα","","0.2026","0.0494","","","","0.1966","","","","","","0.847","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008380","9.308","0.002","10.6395","0.0019","11.225","0.002","86.959","0.016","70.753","0.019","79.375","0.018","1031.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","7,11-Dihydro-9,10-dimethoxy-3,11b-diphenyl[1,2,4]oxadiazolo[5,4-a][2,3] benzodiazepin-6(5H)-one","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C48 H42 N6 O8 -","2","1","NA1353","Bruno, Giuseppe; Chimirri, Alba; Gitto, Rosaria; Nicoló, Francesco; Scopelliti, Rosario","7,11b-Dihydro-9,10-dimethoxy-3,11b-diphenyl[1,2,4]oxadiazolo[5,4-<i>a</i>][2,3]benzodiazepin-6(5<i>H</i>)-one","Acta Crystallographica Section C","1999","55","4","685","687","10.1107/S010827019801227X","","","0.71073","MoKα","","0.0623","0.0342","","0.0802","0.0754","","","","0.796","1","1","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008381","6.1418","0.0002","7.5325","0.0001","14.5931","0.0005","91.876","0.002","101.71","0.001","95.106","0.002","657.55","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","fluoropyridyl-biphenyl","1-perfluoropyridyl-4-phenylbenzene","","- C17 H9 F4 N -","- C17 H9 F4 N -","- C34 H18 F8 N2 -","2","1","NA1381","Resel, Roland; Thurner, Philipp; Kahlert, Hartmut; Völlenkle, Horst; Winkler, Berthold; Müllner, Ruth; Stelzer, Franz; Tunega, Daniel; Leising, Günther","4-(4-Biphenyl)-2,3,5,6-tetrafluoropyridine, a new material for application in light-emitting diodes","Acta Crystallographica Section C","1999","55","4","693","695","10.1107/S0108270198015169","","","0.71073","MoKα","","0.065","0.046","","0.167","0.135","","","","1.189","1.116","1.116","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008382","9.2654","0.0012","10.6629","0.0014","27.703","0.004","90","","90","","90","","2736.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3beta-bromo-6beta-acetoxy-5alfa-spirostan-23-one","","- C29 H43 Br O5 -","- C29 H43 Br O5 -","- C116 H172 Br4 O20 -","4","1","NA1383","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Martín A. Iglesias Arteagas; Roxana Pérez Gil; Francisco Coll Manchado","(25<i>R</i>)-6β-Acetoxy-3β-bromo-5α-spirostan-23-one","Acta Crystallographica Section C","1999","55","4","601","603","10.1107/S0108270198016382","","","1.54178","CuKα","","0.081","0.061","","0.171","","0.142","","","1.097","","","1.097","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008383","9.185","0.001","12.052","0.001","18.899","0.001","90","","90","","90","","2092.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1S,R~S~)-N-methyl-6,7-dimethoxy-1-(p-tolylsulfinyl)methyl- 1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","","- C21 H24 F3 N O3 S -","- C21 H24 F3 N O3 S -","- C84 H96 F12 N4 O12 S4 -","4","1","NA1386","Pierfrancesco Bravo; Eleonora Corradi; Marcello Crucianelli; Stefano Valdo Meille; Matteo Zanda","(1<i>S</i>,<i>R</i>~S~)-6,7-Dimethoxy-<i>N</i>-methyl-1-(<i>p</i>-tolylsulfinylmethyl)-1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","4","687","689","10.1107/S0108270198016114","","","1.5418","CuKα","","0.0757","0.0575","","","","0.1612","","","","","","1.057","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008384","9.619","0.001","10.325","0.002","18.91","0.003","90","","90","","90","","1878.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)1-(1-hydroxymethyl-propyl)-pyrrolidine-2,5-dione","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C64 H104 N8 O24 -","8","2","NA1387","Pilati, Tullio; G. Biju Kumar; Amrish C. Shah","(<i>R</i>)-<i>N</i>-(1-Hydroxybut-2-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","1999","55","4","612","613","10.1107/S010827019801484X","","","0.71073","MoKα","","0.0956","0.0465","","","","0.1163","","","","","","0.97","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008385","11.8787","0.0008","15.483","0.001","12.3467","0.0008","90","","108.21","0.01","90","","2157.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3,6,6-tetramethyl-9-(3-nitrophenyl)-3,4,5,6,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C92 H104 N8 O16 -","4","1","NA1388","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán","3,3,6,6-Tetramethyl-9-(3-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section C","1999","55","4","596","599","10.1107/S0108270198016394","","","1.54178","CuKα","","0.087","0.059","","","","0.186","","","1.108","","","1.108","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008386","7.163","0.001","18.299","0.001","10.407","0.001","90","","109.55","0.01","90","","1285.5","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O8 -","- C26 H26 Co N4 O8 -","- C52 H52 Co2 N8 O16 -","2","0.5","NA1389","Hökelek, Tuncer; Necefoğlu, Hacalı","<i>trans</i>-Diaquabis(benzoato-<i>O</i>)bis(nicotinamide-<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section C","1999","55","4","545","547","10.1107/S0108270199000153","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.38","1.38","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008387","7.7585","0.0005","15.606","0.001","22.8759","0.0009","90","","90","","90","","2769.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl-4β-bromine-7α-cathyloxy-3-oxo-5β-cholanoate","","- C28 H43 Br O6 -","- C28 H40 Br O6 -","- C112 H160 Br4 O24 -","4","1","NA1393","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Francisco Coll Manchado; Roxana Pérez Gil","Methyl 4β-bromo-7α-cathyloxy-3-oxo-5β-cholanoate","Acta Crystallographica Section C","1999","55","4","599","601","10.1107/S0108270198016400","","","1.54178","CuKα","","0.054","0.044","","","","0.138","","","1.071","","","1.071","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008388","10.6629","0.0004","9.8546","0.0004","17.5982","0.0008","90","","94.249","0.001","90","","1844.11","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-benzoyl-1-naphthylbenzoate","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","NA1396","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","2-Benzoyl-1-naphthyl benzoate","Acta Crystallographica Section C","1999","55","4","587","588","10.1107/S010827019801765X","","","0.71073","MoKα","","0.105","0.065","","","","0.18","","","","","","1.142","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008389","9.245","0.002","16.226","0.002","8.828","0.002","92.41","0.01","98.17","0.02","78.08","0.01","1282.5","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","5-(8,8-Dicyanoheptafulven-3-yl)-2-hydroxy-1,3-xylyl-18-crown-5 potassium salt monohydrate","","- C26 H29 K N2 O7 -","- C26 H29 K N2 O7 -","- C52 H58 K2 N4 O14 -","2","1","OA1064","Shinya Matsumoto; Kaname Yumura; Hiroyuki Otani; Jin Mizuguchi","5-(8,8-Dicyanoheptafulven-3-yl)-2-hydroxy-1,3-xylyl-18-crown-5 potassium salt monohydrate","Acta Crystallographica Section C","1999","55","4","536","538","10.1107/S0108270198014772","","","1.5418","CuKα","","0.1006","0.0556","","0.0687","0.0605","","","","1.23","1.312","1.312","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008390","18.62","0.01","12.691","0.008","17.42","0.01","90","","121.17","0.05","90","","3522","4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone","","- C23 H15 Br O2 -","- C23 H15 Br O2 -","- C184 H120 Br8 O16 -","8","1","OA1073","Takumi Oshima; Kazuaki Fukushima; Tatsuya Kawamoto","2-Bromo-2,3-diphenylmethano-2,3-dihydronaphthoquinone","Acta Crystallographica Section C","1999","55","4","608","610","10.1107/S0108270198015212","","","0.71073","MoKα","","","0.054","","","0.067","","","","","2.296","2.296","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008391","13.15","0.002","11.545","0.002","14.565","0.002","90","","102.02","0.01","90","","2162.7","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(pyridine)-bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II)","","- C22 H16 Cu N2 O6 S2 -","- C22.334 H15.8 Cu N2 O6 S1.876 -","- C89.336 H63.2 Cu4 N8 O24 S7.504 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.039","","","0.04","","","","","1.401","1.401","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008392","20.16","0.003","9","0.002","24.497","0.003","90","","118.47","0.01","90","","3907.2","1.2","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II) -μ-(2-thiopheneglyoxylato-O^1^:O^1^,O^2^)-bis(3-methylpyridine)copper(II) -μ-(2-thiopheneglyoxylato-O^1^,O^2^:O^1^)monohydrate","","- C36 H28 Cu2 N2 O13 S4 -","- C37.666 H27 Cu2 N2 O13 S3.376 -","- C150.664 H108 Cu8 N8 O52 S13.504 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.052","","","0.05","","","","","1.643","1.643","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008393","11.894","0.002","18.092","0.003","11.452","0.002","90","","90","","90","","2464.3","0.7","299","","","","","","","","","","","6","P n c a","-P 2a 2n","60","","Bis(4-methylpyridine)-bis(2-thiopheneglyoxylato-O^1^,O^2^)copper(II)","","- C24 H20 Cu N2 O6 S2 -","- C24 H20 Cu N2 O6 S2 -","- C96 H80 Cu4 N8 O24 S8 -","4","0.5","OA1077","Nakasa, Kazuyuki; Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Copper(II) 2-thiopheneglyoxylate adducts with pyridine derivatives","Acta Crystallographica Section C","1999","55","4","513","517","10.1107/S0108270198016424","","","0.71073","MoKα","","","0.054","","","0.049","","","","","1.421","1.421","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008394","15.005","0.003","20.397","0.004","6.342","0.0013","90","","90","","90","","1941","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tri-p-tolyltriazine","2,4,6-tris-(4-Methylphenyl)-1,3,5-triazine","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","0.5","OA1078","Thalladi, Venkat R.; Muthuraman, Meiyappan; Nangia, Ashwini; Desiraju, Gautam R.","Tri-<i>p</i>-tolyl-1,3,5-triazine","Acta Crystallographica Section C","1999","55","4","698","700","10.1107/S0108270198018496","","","0.71073","MoKα","","0.072","0.049","","0.14","0.121","","","","1.171","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008395","7.922","0.002","8.198","0.002","26.58","0.004","90","","90","","90","","1726.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-Pentenoyl Sultam","3H-3aR,6S,7aS-8,8-Dimethyl-N-[(3S)-3,4-dimethylpent-4-enoyl]-2,2- dioxo-3a-6-methano-4,5,6,7-tetrahydro-2,1-benzisothiazole","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","OB1002","Hughes, Andrew B.; Mackay, Maureen F.; McCaffrey, Narelle L.","Absolute structure of an <i>N</i>-pentenoyl benzisothiazole","Acta Crystallographica Section C","1999","55","4","610","612","10.1107/S0108270198016126","","","1.5418","CuKα","","0.054","0.054","","0.152","0.144","","","","1.055","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008396","8.517","0.002","7.731","0.002","10.83","0.002","90","","90.38","0.03","90","","713.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cl2 N4 O10 -","- C6 H16 Cl2 N4 O10 -","- C12 H32 Cl4 N8 O20 -","2","0.5","OS1034","Cheng-Yong Su; Wen-Jun Zhang; Bei-Sheng Kang","<i>N</i>,<i>N</i>'-Bis(2-ammonioethyl)oxamide diperchlorate","Acta Crystallographica Section C","1999","55","4","636","637","10.1107/S010827019801470X","","","0.71073","MoKα","","0.0721","0.0662","","0.1746","0.1681","","","","1.115","1.115","1.115","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008397","4.76","0.001","26.181","0.005","9.62","0.002","90","","92.86","0.0005","90","","1197.4","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Caesium 5-(2-cyanoethylthio)-1,3-dithiole-2-thione-4-thiolate","","- C6 H4 Cs N S5 -","- C6 H4 Cs N S5 -","- C24 H16 Cs4 N4 S20 -","4","1","OS1038","Simonsen, Klaus B.; Simonsen, Ole; Becher, Jan","Caesium 5-(2-cyanoethylthio)-2-thioxo-1,3-dithiole-4-thiolate","Acta Crystallographica Section C","1999","55","4","547","549","10.1107/S0108270198017442","","","0.71073","MoKα","","0.046","0.033","","0.315","0.044","","","","8.19","1.189","1.189","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008398","10.223","0.001","11.48","0.001","12.058","0.001","81.619","0.008","70.668","0.006","87.605","0.006","1321","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 N2 O4 S2 -","- C27 H32 N2 O4 S2 -","- C54 H64 N4 O8 S4 -","2","1","OS1042","Hökelek, Tuncer; Patır, Süleyman","<i>N</i>-(2,2-Dimethoxyethyl)-<i>N</i>-{9-methoxymethyl-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-yl}benzamide","Acta Crystallographica Section C","1999","55","4","675","677","10.1107/S0108270198017454","","","0.71073","MoKα","","","0.0626","","","0.0786","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008399","5.842","0.002","16.593","0.005","17.561","0.007","90","","90","","90","","1702.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","toluene-4-sulfonic acid 2-isopropyl-5-methyl-cyclohexyl ester","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C68 H104 O12 S4 -","4","1","QA0096","Degen, Alexander; Bolte, Michael","(‒)-3-<i>p</i>-Menthyl tosylate","Acta Crystallographica Section C","1999","55","4","IUC9900024","","10.1107/S0108270199099667","","","0.71073","MoKα","","0.039","0.031","","","","0.081","","","1.055","","","1.054","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008400","7.331","0.0001","14.0055","0.0003","9.2714","0.0002","90","","109.451","0.001","90","","897.6","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Arylazo)imidazole","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","QA0098","Hoong-Kun Fun; Kandasamy Chinnakali; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","(1<i>H</i>-Imidazol-2-yl)phenyldiazene","Acta Crystallographica Section C","1999","55","4","IUC9900025","","10.1107/S0108270199099631","","","0.71073","MoKα","","0.074","0.043","","","","0.131","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008401","7.215","0.002","8.209","0.004","16.542","0.004","90","","100.21","0.02","90","","964.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Hydroxy-cyclooctanone-O-methyl-oxime","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","QA0099","Boese, Roland; Rademacher, Paul; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","5-Hydroxycyclooctanone <i>O</i>-methyloxime at 293K","Acta Crystallographica Section C","1999","55","4","IUC9900026","","10.1107/S010827019909962X","","","0.71073","MoKα","","0.057","0.042","","","","0.132","","","","","","1.027","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008402","8.916","0.003","6.0717","0.0015","12.62","0.003","90","","95.027","0.014","90","","680.6","0.3","103","2","103","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","dispiro[2.1.2.1]octane","","- C8 H12 -","- C8 H12 -","- C32 H48 -","4","0.5","QA0100","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Dispiro[2.1.2.1]octane at 103K","Acta Crystallographica Section C","1999","55","4","IUC9900023","","10.1107/S0108270199099618","","","0.71073","MoKα","","0.069","0.054","","","","0.156","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008403","9.222","0.005","9.365","0.005","16.728","0.009","90","","104.62","0.01","90","","1397.9","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Allyl-3-(ethoxycarbonylmethylen)-2-oxo-1,2,3,4-tetrahydroquinoxaline","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","QA0101","Sersra, Souad; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael","Ethyl 4-allyl-4-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylideneacetate","Acta Crystallographica Section C","1999","55","4","IUC9900021","","10.1107/S0108270199099655","","","0.71073","MoKα","","0.127","0.055","","","","0.135","","","","","","0.994","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008404","9.1581","0.0005","9.3318","0.0007","13.4647","0.0008","90","","100.14","0.005","90","","1132.74","0.13","293","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","azepinoquinoleine","6-chloro-5H-tetrahydroazepino[3,2-c]quinoleine","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","QA0102","Bureau, Isabelle; Chardon, Josiane; Leclaire, Andre; Hinschberger, Antoine; Rault, Sylvain","6-Chloro-1<i>H</i>-2,3,4,5-tetrahydroazepino[3,2-<i>c</i>]quinoline","Acta Crystallographica Section C","1999","55","4","IUC9900022","","10.1107/S010827019909959X","","","0.71073","MoKα","","0.152","0.044","","0.059","0.044","","","","0.739","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008405","44.3229","0.0004","13.3413","0.0001","25.3433","0.0001","90","","105.845","0.001","90","","14416.7","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[(acetato-O,O')bis(triphenylphosphine-P)silver(I)] monohydrate sesquiethanol solvate","","- C79 H77 Ag2 O6.5 P4 -","- C79 H77 Ag2 O6.5 P4 -","- C632 H616 Ag16 O52 P32 -","8","1","QA0103","Hanna, John V.; Ng, Seik Weng","Redetermination of bis[(acetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)] monohydrate sesquiethanol solvate","Acta Crystallographica Section C","1999","55","4","IUC9900031","","10.1107/S0108270199099692","","","0.71073","MoKα","","0.071","0.043","","","","0.112","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008406","7.3176","0.0006","8.9755","0.0006","17.909","0.001","90","","93.636","0.005","90","","1173.88","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1α,4α,4aβ,9β,9aβ,10β-hexahydro-9,10-Epithioanthracene-1,4-diol","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","QA0104","Bats, Jan W.; Krämer, Norbert H.; Linde, Hermann F.G.","1α,4α,4aβ,9β,10β,10aβ-Hexahydro-9,10-epithioanthracene-1,4-diol","Acta Crystallographica Section C","1999","55","4","IUC9900027","","10.1107/S0108270199099588","","","1.5418","CuKα","","0.034","0.034","","","","0.137","","","","","","2.148","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008407","11.9597","0.0001","18.3546","0.0003","15.0141","0.0003","90","","100.772","0.001","90","","3237.75","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Nitrito-O,O')bis(triphenylphosphine-P)silver(I)","","- C36 H30 Ag N O2 P2 -","- C36 H30 Ag N O2 P2 -","- C144 H120 Ag4 N4 O8 P8 -","4","1","QA0105","Hanna, John V.; Ng, Seik Weng","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","1999","55","4","IUC9900029","","10.1107/S0108270199099680","","","0.71073","MoKα","","0.087","0.046","","","","0.092","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008408","8.6226","0.0016","8.6226","0.0016","21.73","0.005","90","","90","","90","","1615.6","0.6","125","2","125","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","perfluoro-benzocyclobutene","","- C8 F8 -","- C8 F8 -","- C64 F64 -","8","0.5","QA0106","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,3,4,5,7,7,8,8,-Octafluorobicyclo[4.2.0]octa-1,3,5-triene at 125K","Acta Crystallographica Section C","1999","55","4","IUC9900036","","10.1107/S0108270199099606","","","0.71073","MoKα","","0.074","0.063","","","","0.2","","","","","","1.075","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008409","9.985","0.002","14.839","0.003","12.744","0.003","90","","108.81","0.01","90","","1787.4","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","QA0107","Elazami, Mohamed; Bitit, Najib; Kerbal, Abdelali; Fahim, Mohamed; El-Bali, Brahim; Bolte, Michael","Diethyl 2-anthracen-9-ylmethylenemalonate","Acta Crystallographica Section C","1999","55","4","IUC9900037","","10.1107/S0108270199099643","","","0.71073","MoKα","","0.112","0.054","","","","0.119","","","","","","1.017","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008410","10.195","0.0001","10.2164","0.0001","19.3172","0.0001","75.501","0.001","74.862","0.001","64.474","0.001","1730.53","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H30 N4 O3 W -","- C41 H30 N4 O3 W -","- C82 H60 N8 O6 W2 -","2","1","QB0073","Abboud, Khalil A.; He, Yingxia; McElwee-White, Lisa","Tricarbonylbis(1,2,3-triphenyl-1,3-diazaallyl)tungsten(IV)","Acta Crystallographica Section C","1999","55","4","IUC9900032","","10.1107/S0108270199099679","","","0.71073","MoKα","","0.033","0.027","","","0.058","0.061","","","","","","1.008","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008411","10.077","0.004","13.231","0.003","17.167","0.004","98.14","0.02","106.12","0.03","111.12","0.03","1975.2","1.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2,4-Di(triphenylphosphino)-closo-decaborane-Dichloromethane (1/1)","","- C37 H40 B10 Cl2 P2 -","- C37 H40 B10 Cl2 P2 -","- C74 H80 B20 Cl4 P4 -","2","1","QB0074","Yao, Hai-Jun; Hu, Chun-Hua; Dou, Jian-Min; Jin, Ruo-Shui; Zheng, Pei-Ju","2,4-Bis(triphenylphosphino)-<i>closo</i>-decaborane‒dichloromethane (1/1)","Acta Crystallographica Section C","1999","55","4","IUC9900033","","10.1107/S0108270199099576","","","0.71073","MoKα","","","0.057","","","","0.198","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008412","5.493","0.002","10.104","0.002","16.288","0.004","97.26","0.02","93.4","0.02","92.6","0.03","893.9","0.4","173","2","","","","","","","","","","5","P -1","-P 1","2","Iodoproxyfan","3-(1H-imidazol-4-yl)propyl (4-iodophenyl)methyl ether hydrogen maleate","","- C17 H19 I N2 O5 -","- C17 H19 I N2 O5 -","- C34 H38 I2 N4 O10 -","2","1","QB0075","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","4-[3-(4-Iodophenylmethoxy)propyl]-1<i>H</i>-imidazolium hydrogen maleate (iodoproxyfan hydrogen maleate)","Acta Crystallographica Section C","1999","55","4","IUC9900035","","10.1107/S0108270199099564","","","0.71073","MoKα","","0.022","0.021","","","","0.057","","","","","","1.184","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008413","12.889","0.003","25.096","0.005","16.189","0.003","90","","94.812","0.015","90","","5218.1","1.9","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Bi2 H88 Na6 Ni2 O112 W20 -","- Bi2 Na5.998 Ni1.62 O105 W20.38 -","- Bi4 Na11.996 Ni3.24 O210 W40.76 -","2","0.5","QB0077","Rosu, Cristina; Weakley, Timothy J.R.","Hexasodium tetrahydrogen bis(triaquanickelo)icosatungstodibismuthate(III)(10 ‒) 36-hydrate","Acta Crystallographica Section C","1999","55","4","IUC9900034","","10.1107/S0108270199099710","","","0.71073","MoKα","","0.117","0.052","","0.056","","0.05","","","1.35","","","1.5","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008414","9.364","0.0019","15.401","0.003","9.871","0.002","90","","112.38","0.03","90","","1316.3","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 P2 Pd -","- C26 H26 Cl2 P2 Pd -","- C52 H52 Cl4 P4 Pd2 -","2","0.5","QB0079","Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H.","<i>trans</i>-Dichlorobis(methyldiphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","IUC9900028","","10.1107/S0108270199099709","","","0.71073","MoKα","","0.052","0.035","","","","0.098","","","","","","1.092","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008415","7.361","0.003","16.269","0.004","9.622","0.003","90","","97.6","0.03","90","","1142.2","0.7","299","","299","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","QB0084","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","1999","55","4","IUC9900030","","10.1107/S0108270199099552","","","0.71073","MoKα","","0.125","0.066","","","","0.201","","","","","","1.048","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008416","10.9185","0.0011","28.281","0.004","8.638","0.0007","90","","90","","90","","2667.3","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","L-menthyl (-)-3-methoxy-13-methyl-14-ethyl-11,12,13(S)14(R)- tetrahydrophenanthrene 13-carboxylate IUPAC: L-menthyl (-)-(1R,2S)-1-ethyl-7-methoxy-2-methyl- 1,2,3,4-tetrahydrophenanthrene-2-carboxylate","","- C29 H40 O3 -","- C29 H40 O3 -","- C116 H160 O12 -","4","1","QB0088","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.; Adler, Stuart; Banz, William J.; Winters, Todd A.","<small>L</small>-Menthyl ester of highly estrogenic (‒)-(<i>Z</i>)-bisdehydrodoisynolic acid 3-methyl ether","Acta Crystallographica Section C","1999","55","4","IUC9900020","","10.1107/S0108270199099540","","","0.71069","MoKα","","0.186","0.034","","","","0.121","","","","","","0.958","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008417","9.285","0.001","11.86","0.003","12.53","0.002","90","","102.94","0.01","90","","1344.8","0.4","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-di-tert-butyl-1,2-benzoquinone","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","SK1163","Horng, Den-Nan; Chyn, Jong-Pyng; Shieh, Kuan-Jiunn; Chou, Jeh-Li; Wen, Yuh-Sheng","3,5-Di-<i>tert</i>-butyl-1,2-benzoquinone","Acta Crystallographica Section C","1999","55","4","652","653","10.1107/S010827019801436X","","","0.71073","MolybdenumKα","","0.081","0.044","","0.056","0.052","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008418","7.328","0.008","8.729","0.009","11.513","0.011","95.83","0.07","107.27","0.08","97.34","0.07","689.9","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxo-pyridine-3- carboxylate","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","SK1228","Viktor Kettmann; Ján Svetlík","Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxopyridine-3-carboxylate","Acta Crystallographica Section C","1999","55","4","661","663","10.1107/S0108270198015029","","","0.71073","MoKα","","0.104","0.06","","0.165","0.123","","","","1.041","1.182","1.182","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008419","4.8912","0.0006","11.6238","0.0012","5.6581","0.0003","90","","91.279","0.006","90","","321.61","0.05","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Ethylenebis(phosphonic acid)","","","- C2 H8 O4 P2 -","- C2 H8 O4 P2 -","- C4 H16 O8 P4 -","2","0.5","SK1229","Joachim Bruckmann; Carl Krüger; Christian W. Lehmann; Walter Leitner; Jörg Rust; Christian Six","Ethylenebis(phosphonic acid)","Acta Crystallographica Section C","1999","55","4","695","696","10.1107/S0108270198016448","","","0.71069","MoKα","","0.041","0.038","","","0.115","0.118","","","","","","1.286","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008420","6.893","0.004","18.222","0.008","6.981","0.003","90","","108.05","0.05","90","","833.7","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-oxa-3,17-dioxoandrostane-5α-carbaldehyde","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","SK1231","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3,17-Dioxo-4-oxaandrostane-5α-carbaldehyde","Acta Crystallographica Section C","1999","55","4","637","639","10.1107/S0108270198015728","","","0.71073","MoKα","","0.0728","0.0403","","","","0.1128","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008421","9.115","0.002","14.226","0.002","20.224","0.004","90","","93.532","0.009","90","","2617.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Coumarin-3-carboxylato)triphenyltin^.^ethanol","","- C30 H26 O5 Sn -","- C30 H26 O5 Sn -","- C120 H104 O20 Sn4 -","4","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.096","0.052","","","","0.118","","","","","","0.992","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008422","12.712","0.002","19.402","0.002","14.456","0.003","90","","97.242","0.009","90","","3537","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Coumarin-3-carboxylato)triphenyltin^.^1,2-diphenylcyclopropenone","","- C43 H30 O5 Sn -","- C43 H30 O5 Sn -","- C172 H120 O20 Sn4 -","4","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.126","0.059","","","","0.126","","","","","","0.989","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008423","10.4099","0.0003","11.52","0.001","13.725","0.002","111.754","0.008","95.758","0.007","98.695","0.005","1489.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Coumarin-3-carboxylato)triphenyltin^.^quinoline N-oxide","","- C37 H27 N O5 Sn -","- C37 H27 N O5 Sn -","- C74 H54 N2 O10 Sn2 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.041","0.032","","","","0.08","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008424","9.4696","0.0006","16.164","0.002","20.816","0.002","79.329","0.008","81.946","0.007","80.861","0.007","3071.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylphosphine oxide","","- C74 H55 O9 P Sn2 -","- C74 H55 O9 P Sn2 -","- C148 H110 O18 P2 Sn4 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.066","0.047","","","","0.102","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008425","9.5242","0.0004","16.219","0.002","20.807","0.002","79.501","0.009","81.793","0.007","80.523","0.006","3096","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylarsine oxide","","- C74 H55 As O9 Sn2 -","- C74 H55 As O9 Sn2 -","- C148 H110 As2 O18 Sn4 -","2","1","SK1234","Ng, Seik Weng","Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)","Acta Crystallographica Section C","1999","55","4","523","531","10.1107/S0108270198014991","","","0.71073","MoKα","","0.058","0.041","","","","0.093","","","","","","1.085","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008426","8.3216","0.0016","12.392","0.003","15.949","0.002","83.58","0.02","79.634","0.016","72.99","0.015","1544","0.5","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate","","- C38.9 H27.8 Cl1.8 Fe N4 -","- C38.898 H27.796 Cl1.796 Fe N4 -","- C77.796 H55.592 Cl3.592 Fe2 N8 -","2","1","SK1238","Ahmed, S. Zaka,; Glidewell, Christopher; Ferguson, George","1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate","Acta Crystallographica Section C","1999","55","4","503","506","10.1107/S010827019801186X","","","0.71073","MoKα","","0.145","0.067","","","","0.144","","","","","","0.852","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008427","8.5966","0.0007","11.4966","0.0014","12.4867","0.0011","70.432","0.008","77.619","0.007","85.302","0.009","1135.7","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C52 H36 N8 O12 Zn2 -","2","1","SK1243","Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan","Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups","Acta Crystallographica Section C","1999","55","4","508","510","10.1107/S0108270198015406","","","0.71073","MoKα","","","0.0412","","","0.0517","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008428","9.0778","0.0011","11.4052","0.0013","12.0973","0.0012","84.898","0.002","87.619","0.003","71.594","0.002","1183.6","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O4 Zn -","- C28 H24 N2 O4 Zn -","- C56 H48 N4 O8 Zn2 -","2","1","SK1243","Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan","Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups","Acta Crystallographica Section C","1999","55","4","508","510","10.1107/S0108270198015406","","","0.71073","MoKα","","","0.0279","","","0.0371","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008429","6.9446","0.0006","9.8415","0.0007","17.0921","0.0013","94.102","0.006","94.906","0.006","100.05","0.006","1141.57","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[diaqua(pyridine-2-carboxamide-N^1^,O)-copper(II)-μ-sulfato-O,O'] monohydrate","","- C6 H12 Cu N2 O8 S -","- C6 H12 Cu N2 O8 S -","- C24 H48 Cu4 N8 O32 S4 -","4","2","SK1250","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[[diaqua(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] monohydrate]","Acta Crystallographica Section C","1999","55","4","491","494","10.1107/S0108270198015340","","","0.71073","MoKα","","0.027","0.024","","","","0.066","","","","","","1.034","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008430","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Fangfang Jian; Lijian Jiang; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Xiaozeng You","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C","1999","55","","574","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008431","16.169","0.002","7.6796","0.0009","14.153","0.002","90","","90","","90","","1757.4","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","tris(ethylenediamine)-nickel(II)tetrathiomolybdate","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C24 H96 Mo4 N24 Ni4 S16 -","4","1","SK1258","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Tris(ethylenediamine-<i>N</i>,<i>N</i>')nickel(II) tetrathiomolybdate","Acta Crystallographica Section C","1999","55","4","501","503","10.1107/S0108270198016461","","","0.71073","MoKα","","0.039","0.021","","0.05","0.046","","","","1.01","1.044","1.044","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008432","12.189","0.006","6.64","0.003","12.393","0.005","90","","105.36","0.02","90","","967.2","0.8","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 K O7 -","- C3 H13 K O7 -","- C12 H52 K4 O28 -","4","1","SX1073","Allen W. Apblett; Elizabeth M. Holt","Potassium methoxyacetate tetrahydrate","Acta Crystallographica Section C","1999","55","4","539","541","10.1107/S0108270198014395","","","0.71073","MoKα","","","0.049","","","","0.072","","","","","","1.42","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008433","7.513","0.001","12.74","0.002","8.68","0.001","90","","95.67","0.02","90","","826.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Patassium (μ-oxo) [(oxalato)-oxomolybdate] monohydrate","","- C2 H2 K2 Mo O8 -","- C2 K2 Mo O8 -","- C8 K8 Mo4 O32 -","4","1","TA1220","Xing, Yong-Heng; Wang, Zuo; Xu, Ji-Qing; Li, Dong-Mei; Wang, Ren-Zhang; Bu, Wei-Ming; Ye, Ling; Xing Yan; Yong-Hua Lin; Heng-Qing Jia","K~2~[MoO~3~(C~2~O~4~)]^.^H~2~O","Acta Crystallographica Section C","1999","55","4","521","523","10.1107/S0108270198014851","","","0.71073","MoKα","","0.0378","0.0358","","0.1049","0.1034","","","","1.099","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008434","19.3111","0.0012","7.5851","0.0004","15.514","0.0008","90","","90","","90","","2272.4","0.2","298","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- H4 Mo4 O15 Sr -","- H4 Mo4 O15 Sr -","- H32 Mo32 O120 Sr8 -","8","1","TA1224","Harrison, William T. A.","Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O","Acta Crystallographica Section C","1999","55","4","485","487","10.1107/S0108270198013602","","","0.71073","MoKα","","","0.031","","","0.022","","","","","1.049","1.049","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008435","14.671","0.004","15.135","0.002","9.328","0.002","90","","90","","90","","2071.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,5-dihydro-1,2,4-oxadiazole","Methyl (2S)-2-[(5R)-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","TA1227","Xu, Jiaxi; Li, Xiaoyu; Wang, Zhemin; Yang, Qingchuan; Yan, Chunhua","Methyl (2<i>S</i>)-2-[(5<i>R</i>)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","Acta Crystallographica Section C","1999","55","4","650","652","10.1107/S0108270198015492","","","0.71073","MoKα","","0.0762","0.0549","","","","0.1228","","","","","","1.096","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008436","7.359","0.003","7.873","0.003","16.098","0.004","90","0.01","96","0.02","90","0.01","927.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-Tosyl adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C34 H38 N10 O12 S2 -","2","1","VJ1090","D. Prahadeeswaran; T. P. Seshadri","2'-<i>O</i>-Tosyladenosine","Acta Crystallographica Section C","1999","55","4","606","608","10.1107/S0108270198015236","","","1.5418","CuKα","","0.0573","0.0565","","0.1371","0.1356","","","","1.086","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008437","9.412","0.002","6.914","0.001","14.667","0.002","90","0.01","102.89","0.02","90","0.02","930.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^6^Anisoyl Adenosine Monohydrate","","- C18 H21 N5 O7 -","- C18 H21 N5 O7 -","- C36 H42 N10 O14 -","2","1","VJ1092","S. Kolappan; T. P. Seshadri","<i>N</i>^6^-Anisoyladenosine monohydrate","Acta Crystallographica Section C","1999","55","4","603","604","10.1107/S0108270198015248","","","1.5418","CuKα","","0.0371","0.0356","","0.1048","0.1021","","","","1.013","1.009","1.009","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008438","14.202","0.002","5.737","0.003","33.319","0.005","90","0.02","92.93","0.02","90","0.03","2711.2","1.5","293","2","293","2","","","","","","","","4","P 1 2 1","P 2y","3","","N^3^,2',3'-Tri-O-Benzoyluridine","","- C30 H24 N2 O9 -","- C30 H24 N2 O9 -","- C120 H96 N8 O36 -","4","2","VJ1093","S. Kolappan; T. P. Seshadri","<i>N</i>^3^-Benzoyl-2',3'-di-<i>O</i>-benzoyluridine","Acta Crystallographica Section C","1999","55","4","604","606","10.1107/S0108270198015224","","","1.5418","CuKα","","0.0632","0.0407","","0.157","0.1174","","","","1.03","1.055","1.055","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008439","9.2989","0.0007","14.057","0.001","3.6066","0.0003","90","","90","","90","","471.44","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-NRTZ","4-nitramino-1,2,4-triazole","","- C2 H3 N5 O2 -","- C2 H3 N5 O2 -","- C8 H12 N20 O8 -","4","1","AV1027","Vasiliev, Alexander D.; Astachov, Alexander M.; Stepanov, Rudolf S.; Kirik, Sergei D.","4-Nitramino-1,2,4-triazole","Acta Crystallographica Section C","1999","55","5","830","832","10.1107/S0108270199002243","","","1.5418","CuKα","","0.028","0.027","","","","0.073","","","","","","1.096","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008440","20.652","0.002","8.8934","0.0006","7.5917","0.0005","90","","90","","90","","1394.34","0.19","297","","273","","","","","","","","","5","A b a 2","A 2 -2ab","41","cadmium isopropylxanthate","cadmium(II) bis-(O-isopropyldithiocarbonate)","","- C8 H14 Cd O2 S4 -","- C8 H14 Cd0.5 O2 S4 -","- C32 H56 Cd2 O8 S16 -","4","","BK1413","Tomlin, David W.; Cooper, Thomas M.; Zelmon, David E.; Gebeyehu, Zewdu; Hughes, John M.","Cadmium isopropylxanthate","Acta Crystallographica Section C","1999","55","5","717","719","10.1107/S010827019801823X","","","0.7107","MoKα","","0.025","0.025","","","0.034","","","","1.27","1.27","1.27","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008441","13.2852","0.0004","11.4419","0.0003","13.5434","0.0004","90","","98.438","0.002","90","","2036.42","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.068","0.047","","0.123","0.105","","","","1.066","1.073","1.073","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008442","9.1757","0.0004","13.1247","0.0006","18.6567","0.0009","90","","97.412","0.003","90","","2228.02","0.18","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 N O5 -","- C23 H33 N O5 -","- C92 H132 N4 O20 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.097","0.059","","0.162","0.125","","","","1.083","1.064","1.064","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008443","14.5445","0.0005","9.668","0.0002","19.8101","0.0007","90","","90.186","0.001","90","","2785.61","0.15","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O6 -","- C33 H36 O6 -","- C132 H144 O24 -","4","1","BK1450","Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji","Imide and tribenzyl ester derivatives of Kemp's triacid","Acta Crystallographica Section C","1999","55","5","808","811","10.1107/S0108270198018241","","","0.71073","MoKα","","0.063","0.044","","0.115","0.099","","","","1.032","1.046","1.046","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008444","7.669","0.005","12.402","0.008","27.204","0.007","90","","90","","90","","2587","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","BM1292","K. Rajalakshmi; Niveta Jain; S. Deepthi; H.G. Krishnamurthy; Vasantha Pattabhi","7-Hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin","Acta Crystallographica Section C","1999","55","5","813","815","10.1107/S0108270198016072","","","1.5418","CuKα","","0.0749","0.0699","","0.2033","0.1918","","","","1.077","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008445","7.3239","0.0014","9.8199","0.0014","13.738","0.003","90","","90","","90","","988","0.3","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,2,4-Triazolium Di(methanesulfonyl)amidate","","- C4 H10 N4 O4 S2 -","- C4 H10 N4 O4 S2 -","- C16 H40 N16 O16 S8 -","4","1","BM1307","Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CIX. 1,2,4-Triazolium di(methanesulfonyl)amidate","Acta Crystallographica Section C","1999","55","5","754","756","10.1107/S0108270199000426","","","0.71073","MoKα","","0.0204","0.0199","","","","0.0549","","","","","","1.068","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008446","7.4177","0.0008","21.393","0.002","9.2734","0.001","90","","101.766","0.008","90","","1440.6","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-(2'-furyl)[2.2]paracyclophane","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","BM1314","Dix, Ina; Hopf, Henning; Jones, Peter G.","Heterocycle-substituted [2.2]paracyclophanes","Acta Crystallographica Section C","1999","55","5","756","759","10.1107/S0108270199001808","","","0.71073","MoKα","","0.0536","0.0478","","","","0.1254","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008447","16.85","0.002","7.6203","0.001","11.574","0.002","90","","95.523","0.011","90","","1479.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(2'-thienyl)[2.2]paracyclophane","","- C20 H18 S -","- C20 H18 S -","- C80 H72 S4 -","4","1","BM1314","Dix, Ina; Hopf, Henning; Jones, Peter G.","Heterocycle-substituted [2.2]paracyclophanes","Acta Crystallographica Section C","1999","55","5","756","759","10.1107/S0108270199001808","","","0.71073","MoKα","","0.0708","0.0378","","","","0.0841","","","","","","0.862","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008448","8.958","0.005","13.258","0.007","14.769","0.008","71.61","0.05","88.37","0.04","70.53","0.04","1563.5","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","5,9,14,18-N-(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18- tetraazadibenzo-[a,h]-tetraazacyclotetradecene)- dichlorozirconium(IV) tetrahydrofuran solvate(1/0.5)","","- C28 H34 Cl2 N4 O0.5 Zr -","- C28 H34 Cl2 N4 O0.5 Zr -","- C56 H68 Cl4 N8 O Zr2 -","2","1","CF1287","Corden, Jonathan P; Errington, William; Moore, Peter; Wallbridge, Malcolm G H","Dichloro(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18-tetraazadibenzo[<i>a</i>,<i>h</i>]cyclotetradecene-κ^4^<i>N</i>)zirconium(IV) tetrahydrofuran hemisolvate","Acta Crystallographica Section C","1999","55","5","706","707","10.1107/S0108270198018010","","","0.71073","MoKα","","0.123","0.051","","","","0.117","","","","","","0.709","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2008449","16.234","0.003","11.017","0.002","7.1954","0.0014","90","","93.15","0.03","90","","1285","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-pyridyl)4-p-tolyl-1,2,4-oxadiazoline-5-thione","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","DA1041","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar","Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4<i>H</i>)-thiones","Acta Crystallographica Section C","1999","55","5","761","764","10.1107/S0108270199000475","","","1.54184","CuKα","","0.091","0.07","","0.201","0.169","","","","1.069","1.088","1.088","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008450","7.728","0.001","8.826","0.002","9.3699","0.0009","112.89","0.01","112.029","0.009","94.84","0.01","525.57","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","3-(2-pyridyl)-4-n-propyl-1,2,4-oxadiazoline-5-thione","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C20 H22 N6 O2 S2 -","2","1","DA1041","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar","Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4<i>H</i>)-thiones","Acta Crystallographica Section C","1999","55","5","761","764","10.1107/S0108270199000475","","","0.71073","MoKα","","0.05","0.044","","0.058","0.058","","","","","1.955","1.955","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008451","12.105","0.003","12.105","0.003","5.776","0.003","90","","90","","90","","846.4","0.5","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","2-amino-4-phenylthiazole","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C36 H32 N8 S4 -","4","1","DA1045","Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés","2-Amino-4-phenylthiazole","Acta Crystallographica Section C","1999","55","5","821","823","10.1107/S0108270199001961","","","0.71073","MoKα","","0.066","0.042","","","","0.105","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008452","10.068","0.003","10.068","0.003","16.728","0.006","90","","90","","120","","1468.5","0.8","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C24 H27 Cl2 Mn N7 O8 -","- C24 H27 Cl2 Mn N7 O8 -","- C48 H54 Cl4 Mn2 N14 O16 -","2","0.333333","DA1054","Qian, Ming; Gou, Shao-Hua; He, Ling; Zhou, Yu-Ming; Duan, Chun-Ying","[Tris(2-pyridyl-κ<i>N</i>-methyleneamino-κ<i>N</i>-ethyl)amine-κ<i>N</i>]manganese(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","742","744","10.1107/S0108270198017624","","","0.71073","MoKα","","0.0844","0.0516","","0.1267","0.1165","","","","1.052","1.244","1.244","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008453","7.1325","0.0006","9.7959","0.0008","12.3235","0.0008","74.082","0.006","81.086","0.006","86.242","0.007","817.78","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 O Ti -","- C18 H14 Cl2 O Ti -","- C36 H28 Cl4 O2 Ti2 -","2","1","FG1495","Bu, Weiming; Wang, Jianhui; Ye, Ling; Mu, Ying; Yang, Guangdi; Fan, Yuguo","Dichloro{2-[(η^5^-cyclopentadienyl)phenylmethyl]phenolato-<i>O</i>}titanium","Acta Crystallographica Section C","1999","55","5","728","730","10.1107/S0108270198015479","","","0.71073","MoKα","","0.0562","0.0421","","0.0707","0.0615","","","","1.105","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008454","11.5121","0.0003","8.5186","0.0003","20.4454","0.0007","90","","100.768","0.002","90","","1969.71","0.11","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dibenzo[b,f]azepin-2-one","","- C14 H9 N O -","- C14 H9 N O -","- C112 H72 N8 O8 -","8","1","FG1517","Ruane, Patrick H.; McClelland, Robert A.; Lough, Alan J.","2<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepin-2-one","Acta Crystallographica Section C","1999","55","5","819","821","10.1107/S0108270198016357","","","0.71073","MoKα","","0.046","0.038","","","","0.099","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008455","10.2782","0.0001","11.4269","0.0002","13.5079","0.0002","96.11","0.01","99.224","0.001","113.462","0.001","1410.87","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","6,11-Dihydroxy-1,4-methano-1,4,4a-tetrahydronaphthacene-5,12-dione","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","2","FR1163","Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Sujit Kumar Ghorai; Nirmal Kumar Hazra; Gur Dayal Nigam","6,11-Dihydroxy-1,4-methano-1,4,4a,12a-tetrahydronaphthacene-5,12-dione","Acta Crystallographica Section C","1999","55","5","776","778","10.1107/S0108270199000657","","","0.71073","MoKα","","0.1033","0.0609","","","","0.1499","","","","","","1.079","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008456","9.063","0.001","16.543","0.002","8.46","0.001","90","","83.11","0.01","90","","1259.2","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl F N2 O2 -","- C13 H10 Cl F N2 O2 -","- C52 H40 Cl4 F4 N8 O8 -","4","1","FR1168","Candan, M. Murat; Kendi, Engin; Göker, Hakan","4-Chloro-<i>N</i>-(<i>p</i>-fluorobenzyl)-2-nitroaniline","Acta Crystallographica Section C","1999","55","5","825","827","10.1107/S0108270199001456","","","0.71069","MoKα","","","0.039","","","0.046","","","","","0.97","0.97","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008457","13.887","0.001","7.162","0.001","32.124","0.003","90","","90","","90","","3195","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[3-(tosyloxy)-propoxy]benzaldehyde","","- C17 H18 O5 S -","- C17 H18 O5 S -","- C136 H144 O40 S8 -","8","2","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.089","0.049","","","","0.11","","","","","","0.91","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008458","8.532","0.001","9.576","0.001","9.953","0.001","76.679","0.001","84.054","0.001","70.29","0.001","744.65","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-[3-(Tosyloxy)ethoxy]benzaldehyde","","- C16 H16 O5 S -","- C16 H16 O5 S -","- C32 H32 O10 S2 -","2","1","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.055","0.041","","","","0.11","","","","","","1.41","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008459","14.415","0.001","6.693","0.001","31.692","0.002","90","","90","","90","","3057.6","0.5","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-[3-(Tosyloxy)-ethoxy]benzaldehyde hemihydrate","","- C16 H17 O5.5 S -","- C16 H17 O5.5 S -","- C128 H136 O44 S8 -","8","1","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.07","0.043","","","","0.097","","","","","","1.13","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008460","7.685","0.001","9.042","0.001","32.071","0.003","90","","93.46","0.01","90","","2224.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrakis{3-[2-(1,3-dioxolan-2-yl)phenoxy]propoxy}-benzene","","- C50 H54 O16 -","- C50 H54 O16 -","- C100 H108 O32 -","2","0.5","FR1170","Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.","Capped-porphyrin precursors","Acta Crystallographica Section C","1999","55","5","801","806","10.1107/S0108270198018034","","","0.71073","MoKα","","0.089","0.042","","","","0.092","","","","","","0.88","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008461","12.148","0.002","24.682","0.002","8.021","0.002","90","","90","","90","","2405","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylbenzoic acid","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","FR1181","Gerkin, Roger E.","3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-methylbenzoic acid","Acta Crystallographica Section C","1999","55","5","798","801","10.1107/S0108270199000128","","","0.71073","MoKα","","","0.065","","","0.077","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008462","18.6342","0.0019","11.1941","0.0008","34.734","0.002","90","","99.188","0.009","90","","7152.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trinitrato-bis[N-(2-pyridinylmethylene)-N'-benzoyl-hydrazino]cerium(III) acetone dihydrate","","- C29 H32 Ce N9 O14 -","- C29.5 H28 Ce N8.5 O14 -","- C236 H224 Ce8 N68 O112 -","8","2","GD1012","Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.","Bis[<i>N</i>-benzoyl-<i>N</i>'-(2-pyridylmethylene)hydrazine]trinitratocerium(III) acetone dihydrate","Acta Crystallographica Section C","1999","55","5","707","710","10.1107/S0108270199000438","","","0.7107","MoKα","","0.1077","0.0462","","","","0.1162","","","","","","0.945","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008463","12.369","0.001","12.998","0.001","13.39","0.001","63.54","0.01","88.97","0.01","79.89","0.01","1892.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N-[2,3-dihydro-4-(2,5-Dimethoxyphenyl)thiazol-2-ylidene]-2,4- dichlorobenzenesulfonamide.","","- C17 H14 Cl2 N2 O4 S2 -","- C17 H14 Cl2 N2 O4 S2 -","- C68 H56 Cl8 N8 O16 S8 -","4","2","GS1030","Beuchet, Pierre; Léger, Jean-Michel; Varache-Lembége, Martine; Nuhrich, Alain","Tautomerism in a 2,4-dichlorobenzenesulfonamide derived from 2-amino-4-(2,5-dimethoxyphenyl)thiazole","Acta Crystallographica Section C","1999","55","5","791","794","10.1107/S0108270198017922","","","1.54178","CuKα","","0.07","0.041","","0.101","0.134","","","","1.043","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008465","9.033","0.001","11.081","0.001","13.447","0.001","90","","90","","90","","1346","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","HA1246","Guha, Subhadra; Mukherjee, Alok K.; Khan, M. Wahab; Kundu, Nitya G.","(<i>E</i>)-3-(Benzoylmethylene)-<i>N</i>-methylisoindolin-1-one","Acta Crystallographica Section C","1999","55","5","818","819","10.1107/S0108270198018393","","","0.71073","MoKα","","0.069","0.04","","0.104","0.096","","","","0.863","0.968","0.968","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008466","11.245","0.002","11.752","0.002","14.476","0.005","90","","90","","90","","1913","0.8","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R, 2'R)-3-[(cis-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2] octan-HBr","","- C19 H33 Br N2 -","- C19 H33 Br N2 -","- C76 H132 Br4 N8 -","4","1","JZ1314","Hartmann, Susanne; Weckert, Edgar; Frahm, August W.","(1'<i>R</i>,2'<i>R</i>)-3-[(<i>cis</i>-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2]octane hydrobromide, a hypoglycaemic semicyclic amidine","Acta Crystallographica Section C","1999","55","5","806","808","10.1107/S0108270199000402","","","0.71069","MoKα","","0.0196","0.0195","","","","0.0512","","","","","","1.102","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008467","12.106","0.002","6.831","0.001","13.411","0.003","90","","116.74","0.03","90","","990.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diaquahydrogen(1+) hexachloroantimonat","","","- Cl6 H5 O2 Sb -","- Cl6 H5 O2 Sb -","- Cl24 H20 O8 Sb4 -","4","0.5","JZ1325","Minkwitz, Rolf; Hirsch, Claudia","Tieftemperaturstruktur von diaquahydrogen(1+) hexachloroantimonat, H~5~O~2~^+^^.^SbCl~6~^{-^}","Acta Crystallographica Section C","1999","55","5","703","705","10.1107/S0108270198018058","","","0.71069","MoKα","","0.065","0.034","","0.064","0.058","","","","0.995","1.074","1.074","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008468","6.914","0.003","9.48","0.007","13.644","0.004","102.9","0.04","90.3","0.03","106.85","0.05","831.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","dimethyl (Z)-2-[1-methyl-2-(p-tolyl)-4,5-dihydro-1H-pyrrol-3- yl]but-2-enedioate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","JZ1327","Zellmer, Dirk; Niewa, Rainer; Kreher, Richard P.","A functionalized dimethyl maleate (maleic acid dimethyl ester)","Acta Crystallographica Section C","1999","55","5","823","825","10.1107/S0108270199000852","","","0.71069","MoKα","","0.153","0.054","","","","0.142","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008469","4.8112","0.0007","4.8112","0.0007","23.302","0.005","90","","90","","120","","467.12","0.14","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","barium dinickel(II) bis(phosphate)","","- Ba Ni2 O8 P2 -","- Ba Ni2 O8 P2 -","- Ba3 Ni6 O24 P6 -","3","0.166667","JZ1337","El-Bali, Brahim; Bolte, Michael; Boukhari, Ali; Aride, Jilali; Taibe, M'Hamed","BaNi~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","5","701","702","10.1107/S0108270199000499","","","0.71073","MoKα","","0.039","0.039","","","","0.099","","","","","","1.167","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008470","12.0311","0.0016","24.574","0.003","8.9357","0.0011","90","","99.245","0.014","90","","2607.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylato-(2,2'-bipyridine-N,N') manganese(II) 7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylic acid monohydrate","","- C26 H28 Mn N2 O11 -","- C26 H28 Mn N2 O11 -","- C104 H112 Mn4 N8 O44 -","4","1","KA1307","Baumeister, Ute; Hartung, Helmut; Kaplonek, Roland","(2,2'-Bipyridine-<i>N</i>,<i>N</i>')(7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>,3-<i>exo</i>-dicarboxylato-κ^3^<i>O</i>^2,3,7^)manganese(II)‒7-oxabicyclo[2.2.1]heptane-2-<i>exo</i>,3-<i>exo</i>-dicarboxylic acid‒water (1/1/1)","Acta Crystallographica Section C","1999","55","5","715","717","10.1107/S0108270198018095","","","0.71073","MoKα","","0.103","0.052","","","","0.123","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008471","7.2842","0.0006","13.45","0.001","16.503","0.002","90","","90","","90","","1616.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","androst-4-ene-3,6,17-trione","Androst-4-ene-3,6,17-trione","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","KA1312","Addlagatta Anthony; Mariusz Jaskólski; Ashwini Nangia","Androst-4-ene-3,6,17-trione","Acta Crystallographica Section C","1999","55","5","787","789","10.1107/S0108270199000517","","","1.54178","CuKα","","0.042","0.035","","","","0.101","","","","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008472","8.181","0.002","9.036","0.002","8.392","0.001","90","","90","","90","","620.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 Ba O6 -","- C4 H4 Ba O6 -","- C16 H16 Ba4 O24 -","4","1","LN1069","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel","Barium <small>L</small>-tartrate","Acta Crystallographica Section C","1999","55","5","740","742","10.1107/S0108270198016709","","","0.71069","MoKα","","0.019","0.019","","0.048","","0.048","","","1.21","","","1.21","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008473","9.5461","0.0015","6.251","0.001","20.773","0.003","90","","98.008","0.004","90","","1227.5","0.3","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-benzyloxy-1[H]-phenyltetrazole","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C56 H48 N16 O4 -","4","1","LN1073","Brigas, Amadeu F.; Clegg, William; Johnstone, Robert A.W.; Mendonca, Ricardo F.","5-Benzyloxy-1-phenyltetrazole: catalytic transfer hydrogenolysis of benzyl ethers","Acta Crystallographica Section C","1999","55","5","778","781","10.1107/S0108270199000141","","","0.71073","MoKα","","0.0902","0.0397","","","","0.0896","","","","","","0.91","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008474","14.276","0.003","15.29","0.003","19.807","0.004","90","","102.36","0.02","90","","4223.3","1.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-chlorohydridotetrakis(triethylphosphine)iridium(III) bis(catecholato)borate","","- C36 H69 B Cl Ir O4 P4 -","- C36 H69 B Cl Ir O4 P4 -","- C144 H276 B4 Cl4 Ir4 O16 P16 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.05","0.0289","","","","0.0796","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008475","12.5401","0.0008","13.5374","0.0009","16.931","0.0011","91.937","0.002","97.051","0.002","90.121","0.002","2850.8","0.3","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","trans-chlorohydridobis(1,2-bis(diphenylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane solvate","","- C65 H59 B Cl3 O4 P4 Rh -","- C65 H59 B Cl3 O4 P4 Rh -","- C130 H118 B2 Cl6 O8 P8 Rh2 -","2","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0591","0.0461","","","","0.1041","","","","","","1.139","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008476","13.932","0.0008","21.2938","0.001","25.5613","0.0014","90","","90","","90","","7583.1","0.7","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trans-chlorohydridobis(1,2-bis(dicyclohexylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane tetrasolvate","","- C68 H113 B Cl9 O4 P4 Rh -","- C68 H113 B Cl9 O4 P4 Rh -","- C272 H452 B4 Cl36 O16 P16 Rh4 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0993","0.0858","","","","0.1783","","","","","","1.381","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008477","9.7315","0.0009","29.559","0.003","10.8716","0.001","90","","102.541","0.002","90","","3052.6","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylphosphine)rhodium(I) bis(catecholato)borate","","- C24 H44 B O4 P4 Rh -","- C24 H44 B O4 P4 Rh -","- C96 H176 B4 O16 P16 Rh4 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0609","0.0365","","","","0.0815","","","","","","1.053","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008478","13.4442","0.0007","18.7746","0.001","24.5809","0.0012","90","","90","","90","","6204.5","0.6","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-dihydridotetrakis(trimethylphosphine)rhodium(III) bis(catecholato)borate","","- C24 H46 B O4 P4 Rh -","- C24 H46 B O4 P4 Rh -","- C192 H368 B8 O32 P32 Rh8 -","8","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.1043","0.0878","","","","0.1903","","","","","","1.448","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008479","10.387","0.001","10.248","0.001","13.857","0.003","90","","107.54","0.02","90","","1406.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","NA1384","Subramanian, E.; Renganayaki, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Methyl-2'-nitrocinnamanilide","Acta Crystallographica Section C","1999","55","5","764","766","10.1107/S010827019801806X","","","0.71073","MoKα","","0.058","0.044","","0.124","0.113","","","","1.029","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008480","13.5557","0.0013","9.8241","0.0009","17.604","0.002","90","","90","","90","","2344.4","0.4","295","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichloro(pentamethylcyclopentadienyl)(2,6-diisopropylaniline)rhodium(III)","","- C22 H34 Cl2 N Rh -","- C22 H34 Cl2 N Rh -","- C88 H136 Cl8 N4 Rh4 -","4","1","NA1385","Lee, Soon W.; Lee, Jae-Gyung","Dichloro(2,6-diisopropylaniline-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III)","Acta Crystallographica Section C","1999","55","5","722","724","10.1107/S0108270198014693","","","0.71073","MoKα","","","0.0232","","","","0.0611","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008481","12.336","0.001","13.447","0.001","20.024","0.001","75.44","0.01","88.71","0.01","63.8","0.01","2869.6","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","A W-Ag-Se Cluster Compound, (μ~3~-bromine)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver)- ethanol [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH","","- C56 H51 Ag3 Br O P3 Se4 W -","- C56 H51 Ag3 Br O P3 Se4 W -","- C112 H102 Ag6 Br2 O2 P6 Se8 W2 -","2","1","NA1390","Zhang, Qianfeng; Xin, Xinquan; Hong, Maochun; Cao, Rong; S.Shanmuga Sundara Raj; Hoong-Kun Fun","A W‒Ag‒Se cluster compound: (μ~3~-bromo)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver) ethanol solvate, [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH","Acta Crystallographica Section C","1999","55","5","726","728","10.1107/S0108270199000207","","","0.71073","MoKα","","0.055","0.041","","","","0.107","","","","","","1.038","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008482","14.084","0.005","14.047","0.005","10.402","0.005","90","0.005","93.463","0.005","90","0.005","2054.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(N,N,N',N"",N""pentamethyldiethylenetriamine)iodoplatinum(II)] [tetraiodo-μ-,μ'-diiododiplatinate(II)]","","- C18 H46 I8 N6 Pt4 -","- C18 H46 I8 N6 Pt4 -","- C36 H92 I16 N12 Pt8 -","2","0.5","NA1394","Francesco P. Fanizzi; Francesco P. Intini; Luciana Maresca; Giovanni Natile; Concetta Pacifico","Bis[iodo(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethyldiethylenetriamine-κ^3^<i>N</i>)platinum(II)] di-μ-iodo-bis[diiodoplatinate(II)]","Acta Crystallographica Section C","1999","55","5","712","714","10.1107/S010827019801693X","","","0.71069","MoKα","","","0.043","","","","0.079","","","","","","0.841","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008483","10.386","0.001","22.501","0.001","11.114","0.001","90","","110.08","0.03","90","","2439.4","0.6","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl5 N3 O P3 -","- C15 H23 Cl5 N3 O P3 -","- C60 H92 Cl20 N12 O4 P12 -","4","1","NA1395","Hökelek, Tuncer; Kılıç, Adem; Begeç, Saliha; Kılıç, Zeynel","2,4,4,6,6-Pentachloro-2-(2,6-di-<i>tert</i>-butyl-4-methylphenoxy)cyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene","Acta Crystallographica Section C","1999","55","5","783","785","10.1107/S0108270198016941","","","0.71073","MoKα","","","0.038","","","0.05","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008484","8.4481","0.0001","16.4652","0.0001","16.814","0.0002","104.33","0.001","97.886","0.001","92.943","0.001","2235.74","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2-di(2-methoxyphenyl)-4-methyl-7,8,9,10-tetrahydro-8,9epoxy[2H]benzo [ 1,2-b]chromene","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","2","NA1398","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2,2-Bis(2-methoxyphenyl)-4-methyl-8,9-epoxy-7,8,9,10-tetrahydro-2<i>H</i>-benzo[<i>h</i>]chromene","Acta Crystallographica Section C","1999","55","5","768","770","10.1107/S0108270198018071","","","0.71073","MoKα","","0.118","0.049","","","","0.138","","","","","","0.884","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008485","22.07","0.02","4.419","0.006","22.29","0.03","90","","127.18","0.08","90","","1732","4","293","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(+)-(2R-cis)-10-Bromo-2,3,3a,8-tetrahydro- N,N-dimethyl-dibenz[c,f]isoxazolo[2,3-a]azepine-2-methanamine","","- C19 H21 Br N2 O -","- C19 H21 Br N2 O -","- C76 H84 Br4 N8 O4 -","4","1","NA1399","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter; Hans L. De Winter","(+)-(2<i>R</i>-<i>cis</i>)-Dimethyl(10-bromo-2,3,3a,8-tetrahydrodibenz[<i>c</i>,<i>f</i>]isoxazolo[2,3-<i>a</i>]azepin-2-ylmethyl)amine","Acta Crystallographica Section C","1999","55","5","794","796","10.1107/S0108270199000219","","","0.71073","MoKα","","0.0633","0.0365","","0.0908","","0.0908","","","1.056","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008486","6.376","0.0001","18.121","0.0002","10.6546","0.0001","90","","107.408","0.0001","90","","1174.65","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal","5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5H-fluoreno[2,3-b]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5H-fluoreno[2,3-b]furan-5-ol","Acta Crystallographica Section C","1999","55","","774","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008487","9.8318","0.0001","9.9472","0.0002","14.2471","0.0003","73.852","0.008","86.554","0.009","78.916","0.001","1313.38","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5,5a,6,9,9a-pentahydro-5-hydroxy-6,9-methano-4-methoxyfluoreno[ 2,3-d]furan","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","2","NA1407","Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal","5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-ol","Acta Crystallographica Section C","1999","55","5","774","776","10.1107/S0108270199001596","","","0.71073","MoKα","","0.142","0.058","","","","0.159","","","","","","0.906","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008488","10.762","0.002","10.96","0.002","7.16","0.001","100.76","0.01","97.53","0.01","115.33","0.01","728.5","0.2","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O3 Pd -","- C15 H16 N4 O3 Pd -","- C30 H32 N8 O6 Pd2 -","2","1","OA1076","Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio","[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue","Acta Crystallographica Section C","1999","55","5","719","722","10.1107/S0108270198016412","","","0.7107","MoKα","","","0.032","","","","0.035","","","","","","1.57","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008489","7.183","0.002","9.307","0.003","11.326","0.003","90","","105.73","0.02","90","","728.8","0.4","298.2","","298.2","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C15 H16 N4 Ni O3 -","- C14.5 H16 N4 Ni0.5 O2.5 -","- C29 H32 N8 Ni O5 -","2","0.5","OA1076","Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio","[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue","Acta Crystallographica Section C","1999","55","5","719","722","10.1107/S0108270198016412","","","0.7107","MoKα","","","0.043","","","","0.045","","","","","","1.674","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008490","7.145","0.004","32.419","0.009","5.142","0.002","90","","90","","90","","1191.1","0.9","298.2","","298.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,11-undecanediol","","","- C11 H24 O2 -","- C11 H24 O2 -","- C44 H96 O8 -","4","1","OB1004","Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya","1,11-Undecanediol","Acta Crystallographica Section C","1999","55","5","789","791","10.1107/S0108270198018253","","","1.5418","CuKα","","0.066","0.0499","","0.0771","0.07","","","","1.334","1.38","1.38","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008491","8.608","0.003","10.393","0.004","12.455","0.005","109.36","0.04","102.24","0.03","92.1","0.03","1020.4","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10- octahydroisobenzofuro[5,6-g][1,4]benzodioxin-7-one","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","1","OS1046","A. Sergi Capilla; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia","10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10-octahydroisobenzofuro[5,6-<i>g</i>][1,4]benzodioxin-7-one","Acta Crystallographica Section C","1999","55","5","786","787","10.1107/S0108270198017296","","","0.71069","MoKα","","0.067","0.057","","","","0.141","","","","","","1.044","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008492","7.6235","0.0015","7.9661","0.0016","7.9712","0.0016","106.71","0.03","108.96","0.03","95.64","0.03","428.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","- C12 H16 Cl2 Cu N4 O8 -","1","0.5","QA0091","Huai-Ming Hu; De-Liang Long; Hui-Yi Zeng; Wen-Dan Cheng; Jin-Shun Huang","A redetermination of bis(2-aminomethylpyridine)diperchloratocopper(II)","Acta Crystallographica Section C","1999","55","5","IUC9900049","","10.1107/S0108270199099485","","","0.71073","MoKα","","0.054","0.036","","","","0.083","","","","","","1.048","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008493","14.06","0.0009","26.4879","0.0016","32.732","0.002","90","","90","","90","","12190","1.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","","- C9 H30 Cl2 N6 Ni O8 -","- C9 H30 Cl2 N6 Ni O8 -","- C216 H720 Cl48 N144 Ni24 O192 -","24","3","QA0097","Olof Kristiansson","Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","IUC9900038","","10.1107/S0108270199099539","","","0.71073","MoKα","","0.104","0.06","","","","0.195","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008494","7.4603","0.0005","9.5852","0.0006","10.4734","0.0006","90","","106.713","0.005","90","","717.3","0.08","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-aminothiazolino[3,2a]pyrimidin-5-one","","- C6 H7 N3 O S -","- C6 H7 N3 O S -","- C24 H28 N12 O4 S4 -","4","1","QA0108","Low, John Nicolson; Ferguson, George; Melguizo, Manuel; Sanchez, Adolfo","7-Amino-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one","Acta Crystallographica Section C","1999","55","5","IUC9900048","","10.1107/S0108270199099461","","","0.71073","MoKα","","0.054","0.038","","","","0.127","","","","","","1.32","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008495","11.586","0.001","15.48","0.002","15.408","0.001","90","","103.436","0.008","90","","2687.8","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Ethyl-2-phenyl-3-trifluoromethyl-1-(2,4,6-trichlorophenyl)-1H- 1,2,4-triazolium hexachloroantimonate","","- C17 H12 Cl9 F3 N3 Sb -","- C17 H12 Cl9 F3 N3 Sb -","- C68 H48 Cl36 F12 N12 Sb4 -","4","1","QA0110","Xian-Jun Liu; Yu-Bo Fan; Yi Liu; Quan-Rui Wang","5-Ethyl-2-phenyl-1-(2,4,6-trichlorophenyl)-3-trifluoromethyl-1<i>H</i>-1,2,4-triazolium hexachloroantimonate","Acta Crystallographica Section C","1999","55","5","IUC9900047","","10.1107/S0108270199099473","","","0.7107","MoKα","","","0.03","","","0.038","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008496","10.649","0.002","5.8777","0.0016","14.8257","0.0015","90","","107.705","0.01","90","","884","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-dibenzenesulfonylputrescine","N-{4-[(benzenesulfonyl)amino]butyl}benzenesulfonamide","","- C16 H20 N2 O4 S2 -","- C16 H20 N2 O4 S2 -","- C32 H40 N4 O8 S4 -","2","0.5","QA0111","Linden, Anthony; Bienz, Stefan","<i>N</i>,<i>N</i>'-Dibenzenesulfonylputrescine","Acta Crystallographica Section C","1999","55","5","IUC9900046","","10.1107/S010827019909945X","","","0.71069","MoKα","","0.06","0.036","","","","0.105","","","","","","1.027","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008498","8.1864","0.0006","18.141","0.002","9.3307","0.0007","90","","103.662","0.006","90","","1346.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{[2-(1,5-diazacyclooctane)methyl phenol]copper}-di(μ-(end-on)azide)","","- C26 H38 Cu2 N10 O2 -","- C26 H38 Cu2 N10 O2 -","- C52 H76 Cu4 N20 O4 -","2","0.5","QB0072","Weiming Bu; Ling Ye; Qiang Xu; Xianhe Bu; Guangdi Yang; Yuguo Fan","Bis(μ-azido-κ<i>N</i>^1^:κ<i>N</i>^1^)bis{[2-(1,5-diazacyclooct-1-yl-κ^2^<i>N</i>,<i>N</i>'-methyl)phenolato-κ<i>O</i>]copper(II)}","Acta Crystallographica Section C","1999","55","5","IUC9900044","","10.1107/S0108270199099515","","","0.71073","MoKα","","0.051","0.041","","0.065","0.05","","","","1.002","1.028","1.028","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008499","8.332","0.002","13.766","0.003","17.264","0.004","90","","90","0.03","90","","1980.2","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Sodium hydrogen dichloro(ethylenediaminetetra-acetate) ruthenium(III) eneahydrate","","- C20 H47 Cl4 N4 Na O25 Ru2 -","- C20 H46 Cl4 N4 Na O25 Ru2 -","- C40 H92 Cl8 N8 Na2 O50 Ru4 -","2","1","QB0080","Stadler, Eduardo; Stadler, Carlos C.; Peixoto, Carlos R. de M.; Vencato, Ivo","Sodium hydrogen bis[dichloro(dihydrogen ethylenediaminetetraacetato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')ruthenium(III)] nonahydrate","Acta Crystallographica Section C","1999","55","5","IUC9900051","","10.1107/S0108270199099503","","","0.71073","MoKα","","0.023","0.023","","","","0.062","","","","","","1.082","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008500","6.318","0.004","15.69","0.04","11.161","0.006","90","","103.48","0.05","90","","1076","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-epoxy-7-oxo-7a-oxa-5β-cholanoic acid","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","QB0082","Angel Dago Morales; Santiago García-Granda; Roxana Pérez Gil; Francisco Coll-Manchado","3β,4β-Epoxy-7-oxo-7a-oxa-7a-homo-5β-cholan-24-oic acid","Acta Crystallographica Section C","1999","55","5","IUC9900043","","10.1107/S0108270199099448","","","0.71073","MoKα","","0.107","0.053","","","","0.155","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008501","10.361","0.01","13.044","0.01","18.806","0.006","90","","90","","90","","2542","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3β-Bromo-5α-spirostan-6,23-dione","","- C27 H39 Br O4 -","- C27 H39 Br O4 -","- C108 H156 Br4 O16 -","4","1","QB0083","Angel Dago Morales; Santiago García-Granda; Martín Andrés Iglesias-Arteaga; Francisco Coll-Manchado","(25<i>R</i>)-3β-Bromo-5α-spirostan-6,23-dione","Acta Crystallographica Section C","1999","55","5","IUC9900042","","10.1107/S0108270199099436","","","0.71073","MoKα","","0.305","0.041","","","","0.107","","","","","","0.929","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008502","6.001","0.003","12.107","0.004","22.995","0.005","90","","90","","90","","1670.7","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-Ferrocenyl[methyl(1-phenyl-ethyl)amino]acetonitrile","","- C21 H22 Fe N2 -","- C21 H22 Fe N2 -","- C84 H88 Fe4 N8 -","4","1","QB0089","Howell, James A. S.; Humphries, Kristina; McArdle, Patrick; Cunningham, Desmond; Walsh, Martin; Daly, Pearl","(<i>S</i>,<i>S</i>)-Ferrocenyl[methyl(1-phenylethyl)amino]acetonitrile","Acta Crystallographica Section C","1999","55","5","IUC9900050","","10.1107/S0108270199099497","","","0.5","synchrotron","","0.032","0.029","","","","0.074","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008503","20.62","0.006","13.147","0.004","9.601","0.005","90","","101.14","0.03","90","","2553.7","1.7","293","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","1","QB0090","Benakli, K.; Crozet, M. P.; Vanelle, P.; Giorgi, M.","(<i>E</i>)-2-[2-(4-Chloromethylphenyl)vinyl]-1-methyl-5-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","5","IUC9900041","","10.1107/S0108270199099424","","","0.71073","MoKα","","0.084","0.051","","","","0.148","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008504","11.337","0.002","9.96","0.002","11.423","0.002","90","","117.15","0.01","90","","1147.7","0.4","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","QB0094","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","<i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","Acta Crystallographica Section C","1999","55","5","IUC9900039","","10.1107/S0108270199099412","","","0.71073","MoKα","","","0.065","","","","0.076","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008505","10.994","0.002","6.718","0.002","16.824","0.002","90","","102.59","0.01","90","","1212.7","0.4","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.054","","","","0.069","","","","","","1.31","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008506","7.186","0.001","18.104","0.002","9.569","0.002","90","","97.34","0.02","90","","1234.7","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.057","","","","0.074","","","","","","1.31","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008507","16.027","0.003","11.741","0.004","14.477","0.003","90","","102.56","0.01","90","","2659","1.2","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C96 H128 Br16 O16 -","8","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.055","","","","0.085","","","","","","1.88","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008508","7.228","0.002","15.875","0.003","5.851","0.002","99.57","0.03","98.31","0.03","77.2","0.02","641.5","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","1,7-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H16 Br2 O2 -","- C12 H16 Br2 O2 -","- C24 H32 Br4 O4 -","2","1","QB0095","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)","Acta Crystallographica Section C","1999","55","5","IUC9900040","","10.1107/S0108270199099400","","","0.71073","MoKα","","","0.041","","","","0.055","","","","","","1.23","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008509","21.797","0.004","17.904","0.004","12.497","0.002","90","","112.59","0.03","90","","4502.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","aqua(2,2'-bipyrimidine-N,N')(2,6-di(2-pyridyl)-pyridineN,N',N'') dicopper(II) tetraperchlorate","","- C38 H30 Cl4 Cu2 N10 O17 -","- C38 H30 Cl4 Cu2 N10 O17 -","- C152 H120 Cl16 Cu8 N40 O68 -","4","0.5","SK1194","Francese, Giancarlo; Schmalle, Helmut W.; Decurtins, Silvio","A copper(II) dimer: aqua(μ-2,2'-bipyrimidine-<i>N</i>,<i>N</i>')(perchlorato)bis{[2,6-bis(2-pyridyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)} triperchlorate","Acta Crystallographica Section C","1999","55","5","730","733","10.1107/S0108270199000530","","","0.71073","MoKα","","0.1036","0.0461","","","","0.1478","","","","","","1.029","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008510","12.9","0.002","18.135","0.002","21.822","0.004","90","","97.42","0.01","90","","5062.3","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[triphenyltin-μ-(N,N-diethylthiocarbamoylthioacetato)-O:O']","","- C25 H27 N O2 S2 Sn -","- C25 H27 N O2 S2 Sn -","- C200 H216 N8 O16 S16 Sn8 -","8","2","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.1","0.058","","","","0.166","","","","","","1.009","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008511","17.019","0.002","18.466","0.002","18.921","0.002","71.952","0.007","72.482","0.008","73.333","0.009","5267.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[(triphenyltin-μ-N-methyl-N-phenyldithiocarbamoylacetato)-O:O']","","- C28 H25 N O2 S2 Sn -","- C28 H25 N O2 S2 Sn -","- C224 H200 N8 O16 S16 Sn8 -","8","4","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.097","0.052","","","","0.124","","","","","","1.002","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008512","9.7442","0.0003","9.8923","0.0005","13.3187","0.0004","107.064","0.004","95.246","0.003","97.153","0.004","1206.62","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(N,N-tetramethylenethiocarbamoylthioacetato)triphenyltin","","- C25 H25 N O2 S2 Sn -","- C25 H25 N O2 S2 Sn -","- C50 H50 N2 O4 S4 Sn2 -","2","1","SK1233","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.","<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin","Acta Crystallographica Section C","1999","55","5","744","748","10.1107/S0108270199002954","","","0.71073","MoKα","","0.024","0.021","","","","0.057","","","","","","1.003","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008513","7.654","0.002","11.578","0.002","17.771","0.003","90","","90","","90","","1574.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Polimeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^] dicadmium(II) Trihydrate","","- C8 H16 Cd2 O16 -","- C8 H8 Cd2 O16 -","- C32 H32 Cd8 O64 -","4","1","SK1241","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel Eulalio","Polymeric aqua-1κ<i>O</i>-bis[μ-(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicadmium(II) trihydrate","Acta Crystallographica Section C","1999","55","5","710","712","10.1107/S0108270199000542","","","0.71069","MoKα","","0.0285","0.028","","0.0717","","0.0717","","","1.204","","","1.204","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008514","6.8228","0.0001","7.1672","0.0002","31.9396","0.0006","90","","90","","90","","1561.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pipemidic Acid Hydrochloride","","- C14 H18 Cl N5 O3 -","- C14 H18 Cl N5 O3 -","- C56 H72 Cl4 N20 O12 -","4","1","SK1259","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Shu-zhong Zhan; Chuan-jiang Hu; Qingjin Meng","Pipemidic acid hydrochloride","Acta Crystallographica Section C","1999","55","5","766","768","10.1107/S0108270198018277","","","0.71073","MoKα","","0.055","0.049","","","","0.13","","","","","","1.118","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008515","22.2132","0.0015","12.9986","0.0013","8.5456","0.0005","90","","96.107","0.005","90","","2453.5","0.3","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5,6-Triacetyl-5,6-diaminopyrimidine-2,4-(1H,3H)-dione","","- C10 H12 N4 O5 -","- C10 H12 N4 O5 -","- C80 H96 N32 O40 -","8","1","SK1260","Low, John Nicolson; Ferguson, George; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo","6-Acetylamino-5-(diacetylamino)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section C","1999","55","5","749","751","10.1107/S0108270198018290","","","0.71073","MoKα","","0.0765","0.0426","","","","0.1087","","","","","","1.025","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008516","11.9991","0.0002","9.0405","0.0002","12.0566","0.0002","90","","99.472","0.001","90","","1290.04","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","SK1261","Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan","2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione","Acta Crystallographica Section C","1999","55","5","772","774","10.1107/S0108270198018289","","","0.71073","MoKα","","0.092","0.057","","","","0.172","","","","","","0.981","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008517","11.5436","0.0004","18.282","0.0006","8.2935","0.0003","90","","107.141","0.001","90","","1672.52","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(p-Methoxyphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","SK1269","Hoong-Kun Fun; Kandasamy Chinnakali; Sichang Shao; Dunru Zhu; Xiao Zeng You","4-(<i>p</i>-Methoxyphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1999","55","5","770","772","10.1107/S0108270199001821","","","0.71073","MoKα","","0.074","0.046","","","","0.12","","","","","","1.029","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008518","9.9485","0.0006","9.3724","0.0006","20.3571","0.0011","90","","98.605","0.006","90","","1876.8","0.2","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Biphenol‒1,10-phenanthroline (1/1).","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","SK1270","Lavender, Emma S.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","2,2'-Biphenol‒1,10-phenanthroline (1/1): a two-dimensional structure built up from three types of hydrogen bond and π‒π stacking interactions","Acta Crystallographica Section C","1999","55","5","751","754","10.1107/S0108270199002942","","","0.7107","MoKα","","0.081","0.039","","","","0.107","","","","","","1.022","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008519","7.3635","0.0007","9.8643","0.001","11.4142","0.0015","110.845","0.008","99.069","0.012","92.998","0.009","759.83","0.16","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","1,4,8,11-Tetraazacyclotetradecane‒2,2'-biphenol (1/2)","","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","0.5","SK1271","Ferguson, George; Gregson, Richard M.; Glidewell, Christopher","A chain of fused <i>R</i>^2^~2~(10) and <i>R</i>^4^~6~(12) rings in the hydrogen-bonded structure of 1,4,8,11-tetraazacyclotetradecane‒2,2'-biphenol (1/2)","Acta Crystallographica Section C","1999","55","5","815","817","10.1107/S0108270199001833","","","0.71073","MoKα","","0.074","0.043","","","","0.111","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008520","12.748","0.002","6.11","0.003","14.87","0.006","90","","99.51","0.02","90","","1142.3","0.8","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dl-3-[[2,5-dihydro-3-methyl-2-oxo-5-furanyl]oxo]methylene-3,3a,6,6a- tetrahydro-2H-cyclopenta[b]furan-2-one","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","SX1062","Rugutt, Joseph K.; Fronczek, Frank R.; Yarabe, Houphouet H.; Shamsi, Shahab A.; Henry III, Charles W.; Billiot, Eugene J.; Warner, Isiah M.","A racemic strigol analogue at 100K","Acta Crystallographica Section C","1999","55","5","759","761","10.1107/S0108270199001341","","","0.71073","Mo-Kα","","0.063","0.05","","0.056","0.055","","","","1.992","1.976","1.976","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008521","21.205","0.004","37.941","0.008","12.227","0.002","90","","90","","90","","9837","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNLP","Theonellapeptolide-Id","","- C70 H149 N13 O28 -","- C70 H125 N13 O27.65 -","- C280 H500 N52 O110.6 -","4","1","SX1064","Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson","The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i>","Acta Crystallographica Section C","1999","55","5","796","798","10.1107/S0108270198014383","","","1.5418","CuKα","","0.136","0.113","","","","0.287","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008522","5.869","0.001","22.53","0.003","8.753","0.001","90","","98.67","0.01","90","","1144.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PHTU","1-(2-Pyridyl)-3-phenylthiourea","","- C12 H11 N3 S -","- C12 H11 N3 S -","- C48 H44 N12 S4 -","4","1","SX1068","West, Douglas X.; Hermetet, Anne K.; Ackerman, Lily J.; Valdés-Martínez, Jesús; Hernández-Ortega, Simón","3-Phenyl-1-(2-pyridyl)thiourea","Acta Crystallographica Section C","1999","55","5","811","813","10.1107/S0108270198018083","","","0.71073","MoKα","","0.08","0.05","","","0.13","0.149","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008523","8.144","0.002","10.004","0.002","24.101","0.005","90","","90","","90","","1963.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","acetylated illustrol","3'-14-epoxy-4',15-dioxaandrost-5-en-3β-yl acetate","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","SX1075","Vencato, Ivo; Niero, Rivaldo; Montanari, João L.; Calixto, João B.; Sant'Ana, Antonio E. G.; Yunes, Rosendo A.","A new 14:15-seco-15-norpregnane derivative from <i>Mandevilla illustris</i> Woodson (Apocynaceae)","Acta Crystallographica Section C","1999","55","5","827","829","10.1107/S0108270199000529","","","0.71073","MoKα","","0.067","0.045","","","","0.143","","","","","","1.069","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008524","10.399","0.003","14.467","0.005","14.216","0.006","90","","104.27","0.03","90","","2072.7","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cis-(Nitrato-O,O')(C-rac-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) Nitrate","","- C14 H32 N6 Ni O6 -","- C14 H32 N6 Ni O6 -","- C56 H128 N24 Ni4 O24 -","4","0.5","TA1219","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","<i>cis</i>-(Nitrato-<i>O</i>,<i>O</i>')[(1<i>RS</i>,4<i>SR</i>,5<i>SR</i>,8<i>RS</i>,11<i>SR</i>,12<i>SR</i>)-<i>C</i>-<i>rac</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) nitrate","Acta Crystallographica Section C","1999","55","5","724","726","10.1107/S0108270198014449","","","0.71073","MoKα","","0.0435","0.0369","","","","0.1035","","","","","","1.075","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008525","10.594","0.002","7.461","0.004","22.92","0.005","90","","90","","90","","1811.6","1.1","153.2","","153.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H10 N4 O6 S -","- C2 H10 N4 O6 S -","- C16 H80 N32 O48 S8 -","8","1","BK1397","Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E.","Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~)","Acta Crystallographica Section C","1999","55","6","994","996","10.1107/S0108270198014619","","","0.7107","MoKα","","0.0411","0.023","","0.066","","0.034","","","2.217","","","2.44","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008526","13.702","0.003","14.167","0.003","10.598","0.002","90","","97.34","0.03","90","","2040.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F3 Na2 O11 S2 -","- C13 H15 F3 Na2 O11 S2 -","- C52 H60 F12 Na8 O44 S8 -","4","1","BK1421","Wang, Feng; Qi, Yinghua; Chen, Tianlu; Xing, Yan; Lin, Yonghua; Xu, Jiping","Disodium 4,4'-difluoro-3,3'-carbonyldibenzenesulfonate hydrofluoride tetrahydrate","Acta Crystallographica Section C","1999","55","6","871","873","10.1107/S0108270198016710","","","0.71073","MoKα","","0.0553","0.0407","","0.1274","0.1216","","","","1.009","1.113","1.113","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008527","8.951","0.0018","10.8181","0.0016","16.585","0.003","77.735","0.014","81.298","0.016","73.906","0.015","1500.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexakis(imidazole)nickel(II) oxydiacetate ethanol solvate","","- C24 H34 N12 Ni O6 -","- C23.04 H30.6 N12 Ni O5.52 -","- C46.08 H61.2 N24 Ni2 O11.04 -","2","1","BK1429","Perec, Mireille; Baggio, Ricardo; Garland, Maria Teresa","Hexakis(imidazole-<i>N</i>^3^)nickel(II) oxydiacetate ethanol solvate","Acta Crystallographica Section C","1999","55","6","858","860","10.1107/S0108270199001420","","","0.71073","MoKα","","0.076","0.049","","","","0.147","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008528","3.8724","0.0002","12.0839","0.0005","18.4079","0.0006","90","","91.412","0.002","90","","861.11","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","naphthalene-2,3-dicarbaldehyde","","- C12 H8 O2 -","- C12 H8 O2 -","- C48 H32 O8 -","4","1","BK1446","Britton, Doyle","Naphthalene-2,3-dicarbaldehyde","Acta Crystallographica Section C","1999","55","6","978","980","10.1107/S0108270199000840","","","0.71073","MoKα","","0.047","0.039","","0.108","0.101","","","","1.06","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008529","12.922","0.002","13.914","0.002","14.263","0.006","65.05","0.02","73.3","0.03","64.59","0.01","2082.4","1","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 F3 N2 O8 Re S -","- C16 H8 F3 N2 O7.995 Re S -","- C64 H32 F12 N8 O31.98 Re4 S4 -","4","2","BK1449","Connick, William B.; Di Bilio, Angel J.; Schaefer, William P.; Gray, Harry B.","The red form of [Re(phen)(CO)~3~(H~2~O)]CF~3~SO~3~^.^H~2~O","Acta Crystallographica Section C","1999","55","6","913","916","10.1107/S0108270199001432","","","0.7107","MoKα","","0.058","0.058","","0.075","0.075","","","","1.66","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008530","11.148","0.002","14.47","0.01","11.08","0.01","110.13","0.06","96.85","0.03","81.97","0.04","1657","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-[(2,6-dichlorophenyl)amino-phenyl(acetato-O,O')]-bis(acetone-O) -di-copper(II), acetaldeyde solvate","","- C64 H56 Cl8 Cu2 N4 O11 -","- C64 H56 Cl8 Cu2 N4 O11 -","- C64 H56 Cl8 Cu2 N4 O11 -","1","0.5","BM1274","Castellari, Carlo; Feroci, Giorgio; Ottani, Stefano","Diclofenac interactions: tetrakis[μ-2-(2,6-dichloroanilino)phenylacetato]-1:2κ^8^<i>O</i>:<i>O</i>'-diacetone-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)(<i>Cu</i>—<i>Cu</i>) acetaldehyde solvate","Acta Crystallographica Section C","1999","55","6","907","910","10.1107/S0108270199002206","","","0.71069","MoKα","","0.137","0.042","","","","0.11","","","","","","0.902","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008531","13.82","0.001","9.3728","0.0011","15.308","0.0012","90","","92.144","0.002","90","","1981.5","0.3","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu I2 N2 O2 Zn -","- C17 H16 Cu I2 N2 O2 Zn -","- C68 H64 Cu4 I8 N8 O8 Zn4 -","4","1","BM1298","Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","930","932","10.1107/S0108270199002851","","","0.71073","MoKα","","","0.04","","","0.044","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008532","8.4341","0.0001","15.5112","0.0003","11.4293","0.0001","90","","90.397","0.001","90","","1495.18","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","","930","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008533","14.835","0.002","7.157","0.003","14.971","0.003","90","","103.05","0.04","90","","1548.5","0.8","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Oleana-13(18), 15(16)-diene-3β, 28-diol diacetate","","- C34 H52 O4 -","- C34 H52 O4 -","- C68 H104 O8 -","2","1","BM1304","Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara","Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate","Acta Crystallographica Section C","1999","55","6","992","994","10.1107/S0108270199002255","","","1.54178","CuKα","","0.1122","0.0539","","0.1716","0.1247","","","","0.822","1.048","1.048","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008534","7.9607","0.0002","9.9649","0.0002","14.2553","0.0003","86.208","0.001","79.818","0.001","73.889","0.001","1069.14","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Acetyl-6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl 4-toluenesulfonate","","- C25 H24 O4 S -","- C25 H24 O4 S -","- C50 H48 O8 S2 -","2","1","BM1306","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2-Acetyl-6-phenyl-5,6,7,8-tetrahydro-1-naphthyl <i>p</i>-toluenesulfonate","Acta Crystallographica Section C","1999","55","6","944","946","10.1107/S0108270199001791","","","0.71073","MoKα","","0.123","0.07","","","","0.195","","","","","","1.014","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008535","10.412","0.001","8.516","0.001","21.556","0.001","90","","101.223","0.01","90","","1874.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-ethyl-5-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)-methynyl]- 2,4-triazolidindione","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C80 H100 N4 O8 S4 -","4","1","BM1315","Bozdag-Dundar, Oya; Dundar, Burak; Buyukbingol, Erdem; Caira, Mino R","3-Ethyl-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylmethylene)thiazolidine-2,4-dione","Acta Crystallographica Section C","1999","55","6","1027","1029","10.1107/S0108270199002267","","","0.71069","MoKα","","0.068","0.0521","","0.1674","","0.1516","","","1.049","","","1.093","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008536","11.662","0.005","14.323","0.007","8.7","0.004","90","0.03","94.57","0.04","90","0.03","1448.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","BM1318","Borbulevych, Oleg Ya.; Golding, Igor R.; Kharitonkin, Andrey B.; Shishkin, Oleg V.; Gololobov, Yuriy G.","The <i>N</i>-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid","Acta Crystallographica Section C","1999","55","6","1019","1020","10.1107/S0108270199002218","","","0.71073","MoKα","","0.1255","0.0487","","0.1521","","0.1131","","","0.86","","","1.092","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008537","9.529","0.002","16.354","0.005","13.719","0.005","90","","105.13","0.01","90","","2063.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(n-butyl)(dichloro)(2,2'-bipyridyl)tin(IV)","","- C18 H26 Cl2 N2 Sn -","- C18 H26 Cl2 N2 Sn -","- C72 H104 Cl8 N8 Sn4 -","4","1","BM1319","Jennifer Gill; Hans Parge; Christine J. Cardin; Chris Tsiamis; Constantin Kavounis","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')di-<i>n</i>-butyldichlorotin(IV)","Acta Crystallographica Section C","1999","55","6","875","876","10.1107/S010827019900325X","","","0.71073","MoKα","","0.065","0.054","","","","0.158","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008538","6.142","0.001","6.142","0.001","14.395","0.002","90","","90","","120","","470.29","0.13","295","2","295","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","potassium oxo antimonide","","- K4 O3 Sb2 -","- K4 O3 Sb2 -","- K8 O6 Sb4 -","2","0.166667","BR1231","Tillard, Monique; Monconduit, Laure; Traber, Boris; Belin, Claude","K~4~Sb~2~O~3~ containing the Sb~2~O~3~^4-^ anion","Acta Crystallographica Section C","1999","55","6","833","835","10.1107/S0108270198018484","","","0.71073","MoKα","","0.086","0.048","","","","0.126","","","","","","1.133","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008539","7.274","0.0011","7.2911","0.0011","18.551","0.003","96.375","0.009","90.714","0.009","119.656","0.008","847.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","sodium tungsten oxide","","- Na5 O44 W14 -","- Na5 O44 W14 -","- Na5 O44 W14 -","1","0.5","BR1234","Triantafyllou, Spyros T.; Christidis, Panayiotis C.","Triclinic sodium tungsten oxide, Na~5~W~14~O~44~","Acta Crystallographica Section C","1999","55","6","838","841","10.1107/S0108270199002760","","","0.7107","MoKα","","0.09","0.063","","","","0.159","","","","","","1.004","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008540","5.221","0.001","9.983","0.001","7.388","0.001","90","","90.21","0.004","90","","385.07","0.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","sodium cobalt(II) phosphate","","- Co Na O4 P -","- Co Na O4 P -","- Co4 Na4 O16 P4 -","4","1","BR1238","Chippindale, Ann M.; Cowley, Andrew R.; Chen, Jiesheng; Gao, Qiuming; Xu, Ruren","A new modification of NaCoPO~4~ with the zeolite ABW structure","Acta Crystallographica Section C","1999","55","6","845","847","10.1107/S010827019900414X","","","0.71069","MoKα","","","0.0182","","","0.02","","","","","1.0847","1.0847","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008541","18.793","0.002","18.793","0.002","18.793","0.002","90","","90","","90","","6637.3","1.2","200","2","200","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C27 H36 Cl4 Fe2 N6 -","- C27 H36 Cl4 Fe2 N6 -","- C216 H288 Cl32 Fe16 N48 -","8","0.333333","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.088","0.063","","0.173","0.157","","","","1.094","1.165","1.165","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008542","24.309","0.005","13.543","0.003","41.392","0.008","90","","90","","90","","13627","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H37.5 Cu F12 N6.5 P2 -","- C28 H27.988 Cu F12 N6.5 P2 -","- C448 H447.808 Cu16 F192 N104 P32 -","16","2","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.124","0.066","","","","0.179","","","","","","0.842","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008543","9.5694","0.001","12.0225","0.001","19.5555","0.001","103.82","0.01","91.434","0.01","110.249","0.01","2035.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-carbonyl[η^2^-dihydrobis(pyrazol-1-yl)borato]hydridobis- (triphenylarsino)ruthenium(II) monohydrate","","- C43 H41 As2 B N4 O2 Ru -","- C43 H39 As2 B N4 O2 Ru -","- C86 H78 As4 B2 N8 O4 Ru2 -","2","1","CF1291","Huh, Seong; Kim, Youngmee; Park, Seongsoon; Park, Tae-Jin; Jun, Moo-Jin","<i>trans</i>-Carbonyl[η^2^-dihydrobis(pyrazol-1-yl-<i>N</i>^2^)borato]hydridobis(triphenylarsine)ruthenium(II) monohydrate","Acta Crystallographica Section C","1999","55","6","850","852","10.1107/S0108270199002279","","","0.71073","MoKα","","0.0778","0.0463","","","","0.1526","","","","","","1.118","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008544","6.377","0.002","6.972","0.003","10.514","0.016","90","","104.45","","90","","452.7","0.7","122","0.2","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(+)-2-(4-Chlorophenoxy)propionic acid","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C18 H18 Cl2 O6 -","2","1","CF1292","Henning Osholm Sørensen; André Collet; Sine Larsen","(<i>R</i>)-(+)-2-(4-Chlorophenoxy)propionic acid","Acta Crystallographica Section C","1999","55","6","953","956","10.1107/S0108270199002280","","","1.54184","CuKα","","0.022","0.022","","","","0.062","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008545","7.898","0.002","10.188","0.003","7.064","0.002","95","0.02","92.92","0.02","105.17","0.02","544.9","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","μ-[N,N'-bis(3-aminopropyl)-oxamidato(2-)]-N,N',O':N'',N''',O-bis[(nitrato-O) (imidazole-N^3^)copper(II)]","","- C14 H24 Cu2 N10 O8 -","- C14 H24 Cu2 N10 O8 -","- C14 H24 Cu2 N10 O8 -","1","0.5","CF1295","Zhang, Cungen; Sun, Jie; Kong, Xiangfu; Zhao, Chengxue","An oxamidato-bridged binuclear imidazole‒copper(II) complex","Acta Crystallographica Section C","1999","55","6","873","875","10.1107/S0108270199001110","","","0.7107","MoKα","","","0.027","","","","0.04","","","","","","1.65","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008546","5.2624","0.0009","8.8737","0.0014","14.518","0.003","82.455","0.015","85.847","0.018","89.393","0.012","670.3","0.2","290","1","290","1","","","","","","","","4","P 1","P 1","1","","(2S,4S,5R)-(-)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3- oxazolidine","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C30 H36 N4 O2 -","2","2","CF1298","Gallagher, John F.; Fitzsimons, Lavelle M.","Intermolecular N—H···O and C—H···O interactions form a two-dimensional network in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","6","1000","1003","10.1107/S0108270199002292","","","0.7107","MolybdenumKα","","0.078","0.052","","","","0.137","","","","","","1.004","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008547","7.281","0.002","16.084","0.007","12.849","0.006","90","","100.51","0.02","90","","1479.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-bis[2-(2-hydroxymethyl)-1-methylimidazole-N^3^]zinc(II)","","- C10 H16 Cl2 N4 O2 Zn -","- C10 H16 Cl2 N4 O2 Zn -","- C40 H64 Cl8 N16 O8 Zn4 -","4","1","CF1299","Yang, Shi-Ping; Long, La-Sheng; Chen, Xiao-Ming; Ji, Liang-Nian","Dichlorobis(2-hydroxymethyl-1-methylimidazole-<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","1999","55","6","869","871","10.1107/S0108270199002309","","","0.71073","MoKα","","0.099","0.06","","","","0.166","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008548","8.7836","0.0006","16.5431","0.0013","15.5118","0.0011","90","","93.117","0.006","90","","2250.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8b,8c-dibenzoyl-4b,8b,8c,8d-tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene-4b -carbaldehyde","","- C31 H20 O3 -","- C31 H20 O3 -","- C124 H80 O12 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","1.54178","CuKα","","0.078","0.057","","","","0.175","","","","","","1.073","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008549","9.0656","0.0015","8.779","0.003","29.758","0.005","90","","94.672","0.013","90","","2360.5","1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4b-acetyl-8b,8c-dibenzoyl-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C32 H22 O3 -","- C32 H22 O3 -","- C128 H88 O12 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.22","0.077","","","","0.184","","","","","","1.04","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008550","16.8684","0.0001","15.3955","0.0001","17.52","0.0002","90","","90","","90","","4549.9","0.07","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8b,8c-dibenzoyl-4b-nitro-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C30 H19 N O4 -","- C30 H19 N O4 -","- C240 H152 N8 O32 -","8","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.061","0.045","","","","0.11","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008551","16.6439","0.0006","17.9178","0.0008","8.3487","0.0003","90","","94.963","0.005","90","","2480.43","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10c-benzoyl-6b-tert-butyl-2-phenyl-10b,10c-dihydro-6bH-dibenzo[a,f]furo[2,3,4- cd]pentalene","","- C34 H28 O2 -","- C34 H28 O2 -","- C136 H112 O8 -","4","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","1.54178","CuKα","","0.05","0.042","","","","0.124","","","","","","1.062","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008552","5.925","0.002","8.321","0.001","16.126","0.003","103.41","0.01","98.85","0.02","99.51","0.02","747.3","0.3","293","2","300","","","","","","","","","4","P -1","-P 1","2","Indole","Ethyl 1-2'-Cyanoethyl-3,5-Dimethyl-2-Indolecarboxylate","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","DA1055","T. N. Chandrakantha; Puttaraja; M. K. Kokila; N. C. Shivaprakash","Ethyl 1-(2-cyanoethyl)-3,5-dimethyl-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section C","1999","55","6","990","992","10.1107/S0108270199001973","","","1.5418","CuKα","","0.0855","0.0636","","0.1824","0.1476","","","","1.101","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008553","8.401","0.001","10.704","0.001","9.325","0.001","90","","104.96","0.01","90","","810.12","0.15","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(trigonelline)-dichlorocopper(II)","","- C14 H14 Cl2 Cu N2 O4 -","- C14 H14 Cl2 Cu N2 O4 -","- C28 H28 Cl4 Cu2 N4 O8 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.044","","","0.045","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008554","10.156","0.002","13.883","0.002","7.793","0.001","99.4","0.01","109.29","0.01","75.57","0.01","1000.4","0.3","299","","","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ-trigonelline-O,O')-dichlorocopper(II) dichloride octahydrate","","- C28 H44 Cl4 Cu2 N4 O16 -","- C28 H44 Cl4 Cu2 N4 O16 -","- C28 H44 Cl4 Cu2 N4 O16 -","1","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008555","10.431","0.002","17.795","0.003","10.685","0.002","90","","114.4","0.01","90","","1806.2","0.6","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(μ-1-methylpyrrole-2-carboxylato-O,O')-dipyridinecopper(II)","","- C36 H38 Cu2 N6 O8 -","- C36 H38 Cu2 N6 O8 -","- C72 H76 Cu4 N12 O16 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.052","","","0.043","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008556","9.849","0.002","10.8","0.002","25.682","0.003","90","0.01","90","0.01","90","0.01","2731.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2^'^,3^'^,5^'^-Tri-O-Benzoylinosine","","- C31 H24 N4 O8 -","- C31 H24 N4 O8 -","- C124 H96 N16 O32 -","4","1","DE1094","S.Kolappan; T. Parthasarathy Seshadri","2',3',5'-Tri-<i>O</i>-benzoylinosine","Acta Crystallographica Section C","1999","55","6","986","987","10.1107/S0108270198014668","","","1.5418","CuKα","","0.0456","0.0327","","","","0.1167","","","","","","0.691","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008557","9.296","0.002","10.524","0.003","11.044","0.003","113.89","0.02","100.15","0.02","109.75","0.02","866.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","","- C19 H16 Cl2 N2 O -","- C19 H16 Cl2 N2 O -","- C38 H32 Cl4 N4 O2 -","2","1","DE1102","R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj","1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","Acta Crystallographica Section C","1999","55","6","987","990","10.1107/S0108270199000712","","","0.71073","MoKα","","0.101","0.067","","","","0.15","","","","","","1.232","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008558","5.72","0.001","12.085","0.004","26.654","0.004","90","","91.78","0.02","90","","1841.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","DE1102","R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj","1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline","Acta Crystallographica Section C","1999","55","6","987","990","10.1107/S0108270199000712","","","1.5418","CuKα","","0.049","0.043","","","","0.127","","","","","","1.138","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008559","4.586","0.002","12.843","0.004","9.767","0.001","90","","133.98","0.02","90","","413.9","0.3","296.2","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","1","DE1103","Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga","5-Methyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","6","1014","1016","10.1107/S0108270199002437","","","0.7107","MoKα","","","0.04","","","","0.052","","","","","","1.859","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008560","6.069","0.007","7.829","0.002","13.455","0.003","90","","91.76","0.03","90","","639","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethylene bis(dimethyldithiocarbamate)","","- C8 H16 N2 S4 -","- C8 H16 N2 S4 -","- C16 H32 N4 S8 -","2","0.5","FG1520","Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng","Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)","Acta Crystallographica Section C","1999","55","6","940","942","10.1107/S0108270198016370","","","0.71073","MoKα","","0.0687","0.041","","","","0.0954","","","","","","1.043","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008561","7.4875","0.0001","7.4424","0.0002","13.7568","0.0003","90","","97.536","0.001","90","","759.98","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butylene bis(dimethyldithiocarbamate)","","- C10 H20 N2 S4 -","- C10 H20 N2 S4 -","- C20 H40 N4 S8 -","2","0.5","FG1520","Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng","Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)","Acta Crystallographica Section C","1999","55","6","940","942","10.1107/S0108270198016370","","","0.71073","MoKα","","0.0309","0.0268","","","","0.0754","","","","","","1.103","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008562","6.2578","0.0005","16.352","0.001","14.819","0.001","90","","91.255","0.001","90","","1516.03","0.18","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H24 Co N2 O14 P2 -","- C2 H22 Co N2 O14 P2 -","- C8 H88 Co4 N8 O56 P8 -","4","1","FR1152","Yongkui Shan; Songping D. Huang","(C~2~H~10~N~2~)[Co(H~2~O)~6~](HPO~4~)~2~: a supramolecular three-dimensional hydrogen-bonding network","Acta Crystallographica Section C","1999","55","6","921","923","10.1107/S0108270199001584","","","0.7107","MoKα","","0.061","0.034","","0.051","","0.044","","","1.024","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008563","8.9034","0.0012","10.0168","0.0011","16.709","0.0012","73.579","0.002","74.837","0.003","65.376","0.002","1281.6","0.2","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Cu I2 N3 O2 Zn -","- C24 H21 Cu I2 N3 O2 Zn -","- C48 H42 Cu2 I4 N6 O4 Zn2 -","2","1","FR1157","Ercan, Filiz; Arıcı, Cengiz; Akay, Abdülkadir; Atakol, Orhan; Ülkü, Dinc̨er","{[μ-Bis(salicylidene)-1,3-propanediaminato]-(3-methylpyridine)copper(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","925","928","10.1107/S0108270199003273","","","0.71073","MoKα","","","0.032","","","0.039","","","","","0.92","0.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008564","8.2202","0.0003","18.2074","0.0006","11.9429","0.0004","90","","93.079","0.001","90","","1784.9","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aminoguanidinium (N,N'-ethylenediaminetetraacetato)antimonate(III) hydrate","","- C11 H21 N6 O9 Sb -","- C11 H21 N6 O9 Sb -","- C44 H84 N24 O36 Sb4 -","4","1","FR1177","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Abdul Razak, Ibrahim; Ilyukhin, Andrey B.; Davidovich, Ruven L.; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng","Aminoguanidinium (ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)antimonate(III) monohydrate","Acta Crystallographica Section C","1999","55","6","905","907","10.1107/S0108270199002310","","","0.71073","MoKα","","0.026","0.021","","","","0.051","","","","","","1.087","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008565","6.8822","0.0008","8.9557","0.001","11.0364","0.0012","98.765","0.002","92.365","0.002","98.66","0.002","663.18","0.13","293","","","","","","","","","","","5","P -1","-P 1","2","","4-Methoxybenzaldehyde-(pentafluorophenylmethylidene)hydrazone","","- C15 H9 F5 N2 O -","- C15 H9 F5 N2 O -","- C30 H18 F10 N4 O2 -","2","1","FR1178","Lewis, Michael; Barnes, Charles L.; Hathaway, Bruce A.; Glaser, Rainer","4-Methoxybenzaldehyde pentafluorophenylmethylidenehydrazone","Acta Crystallographica Section C","1999","55","6","975","978","10.1107/S0108270199002541","","","0.7093","MolybdenumKα","","","0.058","","","","0.075","","","","","","1.19","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008566","11.1445","0.0007","11.7843","0.0007","14.0877","0.0009","90","","95.819","0.001","90","","1840.6","0.2","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N2 P -","- C23 H19 N2 P -","- C92 H76 N8 P4 -","4","1","","Filippo Minutolo; Scott R. Wilson; John A. Katzenellenbogen","Crystallographic evidence for the electronic distribution in (2,4-cyclopentadien-1-ylidenehydrazono)triphenylphosphorane","Acta Crystallographica Section C","1999","55","6","1016","1016","","","","","","","","0.033","","","0.0651","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008567","8.438","0.002","27.496","0.001","4.894","0.001","90","","117.38","0.02","90","","1008.3","0.4","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","quinolinium-4-carboxylate dihydrate","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","FR1183","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in quinolinium-4-carboxylate dihydrate","Acta Crystallographica Section C","1999","55","6","935","937","10.1107/S0108270199002565","","","0.71073","MoKα","","","0.032","","","0.055","","","","","1.85","1.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008568","7.714","0.002","17.848","0.002","6.91","0.002","90","","107.34","0.02","90","","908.1","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","naphthalene-1,2-dicarboxylic anhydride","","","- C12 H6 O3 -","- C12 H6 O3 -","- C48 H24 O12 -","4","1","FR1187","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Network of C—H···O interactions in 1,2-naphthalenedicarboxylic anhydride","Acta Crystallographica Section C","1999","55","6","937","940","10.1107/S0108270199002577","","","0.71073","MoKα","","","0.045","","","","0.052","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008569","7.937","0.003","37.789","0.004","9.696","0.003","90","","90","","90","","2908.1","1.5","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dipotassium naphthalene-1,8-dicarboxylate.potassium bicarbonate","","","- C13 H7 K3 O7 -","- C13 H7 K3 O7 -","- C104 H56 K24 O56 -","8","1","FR1190","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Dipotassium naphthalene-1,8-dicarboxylate‒potassium bicarbonate","Acta Crystallographica Section C","1999","55","6","918","921","10.1107/S0108270199002966","","","0.71073","MoKα","","","0.044","","","","0.074","","","","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008570","8.8712","0.0018","10.2642","0.0012","14.4412","0.0009","98.78","0.005","92.483","0.009","104.804","0.014","1251.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","aquachloro(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylato- O^3^,O^4^)(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylic acid-O^3^,O^4^)copper(II)","","- C24 H21 Cl Cu N4 O11 -","- C24 H21 Cl Cu N4 O11 -","- C48 H42 Cl2 Cu2 N8 O22 -","2","1","GD1017","Ruíz, Monica; Ortiz, Rosa; Perelló, Lourdes; Alfonso Castiñeiras","[CuCl(C~12~H~9~N~2~O~5~)(C~12~H~10~N~2~O~5~)(H~2~O)]","Acta Crystallographica Section C","1999","55","6","878","880","10.1107/S0108270199001122","","","1.54184","CuKα","","0.057","0.041","","","","0.12","","","","","","1.08","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008571","12.694","0.005","16.353","0.005","11.122","0.003","90","","90","","90","","2308.8","1.3","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rubidium molybdyl arsenate","","- As Mo O6 Rb -","- As Mo O6 Rb -","- As16 Mo16 O96 Rb16 -","16","0.5","GS1008","Zid, Mohamed Faouzi; Jouini, Tahar","RbMoO~2~AsO~4~","Acta Crystallographica Section C","1999","55","6","843","845","10.1107/S0108270198016102","","","0.71069","MoKα","","0.0335","0.024","","0.0674","0.0553","","","","1.173","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008572","5.763","0.001","10.153","0.002","12.022","0.002","83.37","0.01","86.46","0.01","78.83","0.01","684.9","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O S -","- C16 H18 O S -","- C32 H36 O2 S2 -","2","1","GS1033","Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz","Two new 2,3-substituted 5-norbornenes","Acta Crystallographica Section C","1999","55","6","980","983","10.1107/S010827019900236X","","","0.71073","MoKα","","0.103","0.042","","","","0.115","","","","","","1.019","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008573","9.763","0.001","12.097","0.002","12.164","0.001","90","","107.292","0.008","90","","1371.7","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","GS1033","Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz","Two new 2,3-substituted 5-norbornenes","Acta Crystallographica Section C","1999","55","6","980","983","10.1107/S010827019900236X","","","0.71073","MoKα","","0.15","0.05","","","","0.165","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008574","7.7541","0.0013","14.4655","0.0019","31.108","0.005","90","","90","","90","","3489.3","0.9","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","(2S,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C144 H152 Cl8 N32 O16 -","8","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.073","0.044","","","","0.127","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008575","7.5238","0.0005","10.9972","0.0008","20.9169","0.0019","90","","90","","90","","1730.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C72 H76 Cl4 N16 O8 -","4","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.105","0.053","","","","0.137","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008576","10.045","0.003","14.347","0.005","15.606","0.006","99.24","0.02","100.22","0.02","108.76","0.02","2037.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(3,3'-dimethylene-2,2'-biquinoline)bromotricarbonylrhenium(I)","","- C23 H14 Br N2 O3 Re -","- C23 H14 Br N2 O3 Re -","- C92 H56 Br4 N8 O12 Re4 -","4","2","HA1240","Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio","Bromotricarbonyl(3,3'-dimethylene-2,2'-biquinoline)rhenium(I)","Acta Crystallographica Section C","1999","55","6","932","934","10.1107/S0108270198017181","","","0.71073","MoKα","","0.059","0.036","","","","0.077","","","","","","1.064","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008577","6.88","0.0008","13.8033","0.0009","29.389","0.002","90","0.01","90","0.01","90","0.01","2791","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Olean-12-en[2,3-d]isoxazole-28-oic acid methyl ester","","- C32 H47 N O3 -","- C32 H47 N O3 -","- C128 H188 N4 O12 -","4","1","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0398","0.0353","","0.1034","0.0994","","","","1.035","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008578","6.5284","0.001","30.614","0.002","13.5481","0.001","90","0.01","101.31","0.01","90","0.01","2655.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","19β,28-Epoxy-18Hα-oleanan[2,3-d]isoxazole","","- C31 H47 N O2 -","- C31 H47 N O2 -","- C124 H188 N4 O8 -","4","2","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0481","0.0361","","0.1045","0.0997","","","","1.003","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008579","6.425","0.001","7.895","0.001","21.883","0.002","90","","95.5","0.01","90","","1104.9","0.2","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S,5S,6S)-exo-3-[(S)-1,2-dibenzyloxyethyl]-exo-2-cyano-endo-6- hydroxy-exo-5-iodobicyclo[2.2.1]heptane-endo-2-carboxylic Acid Lactone.","","- C25 H24 I N O4 -","- C25 H24 I N O4 -","- C50 H48 I2 N2 O8 -","2","1","JZ1323","Alías, Miriam; Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","(1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-<i>exo</i>-2-Cyano-<i>exo</i>-3-[(<i>S</i>)-1,2-dibenzyloxyethyl]-<i>exo</i>-5-iodobicyclo[2.2.1]heptane-<i>endo</i>-2,6-carbolactone","Acta Crystallographica Section C","1999","55","6","1009","1012","10.1107/S010827019900222X","","","0.71073","MoKα","","","0.0384","","","","0.0969","","","","","","1.017","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008580","10.503","0.001","13.889","0.002","10.678","0.001","90","","90.68","0.02","90","","1557.6","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cyclo-tri-μ-methoxo-tris(dichloroaluminium)","","- C3 H9 Al3 Cl6 O3 -","- C3 H9 Al3 Cl6 O3 -","- C12 H36 Al12 Cl24 O12 -","4","1","KA1308","Gelbrich, Thomas","A trimeric aluminium alkoxide: methoxyaluminium dichloride","Acta Crystallographica Section C","1999","55","6","856","858","10.1107/S0108270199000505","","","0.71073","MoKα","","0.066","0.034","","","","0.099","","","","","","1.019","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008581","15.21","0.002","5.539","0.0006","17.192","0.002","90","","134.45","0.01","90","","1034","0.3","291","","291","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetraphenylpyrazine (α form)","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","LN1076","Bartnik, Romuald; Faure, René; Gebicki, Krzysztof","Dimorphism of 2,3,5,6-tetraphenylpyrazine","Acta Crystallographica Section C","1999","55","6","1034","1037","10.1107/S0108270199002450","","","1.54056","CuKα","","","0.06","","","0.137","","","","","","","1.9","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008582","18.654","0.003","23.509","0.002","9.576","0.001","90","","92.18","0.01","90","","4196.4","0.9","291","","291","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,3,5,6-tetraphenylpyrazine (β form)","","- C28 H20 N2 -","- C28 H20 N2 -","- C224 H160 N16 -","8","1","LN1076","Bartnik, Romuald; Faure, René; Gebicki, Krzysztof","Dimorphism of 2,3,5,6-tetraphenylpyrazine","Acta Crystallographica Section C","1999","55","6","1034","1037","10.1107/S0108270199002450","","","1.54056","CuKα","","","0.057","","","0.077","","","","","","","1.24","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008583","7.904","0.005","8.899","0.006","9.335","0.007","108.26","0.04","112.63","0.03","91.41","0.03","567.6","0.7","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","catena-poly[[bis[μ-(2,6-dimethylpiperidinido)-N:N]dilithium]-μ-(N,N,N',N'- tetramethylethylenediamine-N:N')]","","- C20 H44 Li2 N4 -","- C20 H44 Li2 N4 -","- C20 H44 Li2 N4 -","1","0.5","LN1078","Clegg, William; Horsburgh, Lynne; Couper, Scott A.; Mulvey, Robert E.","<i>catena</i>-Poly[[bis(μ-2,6-dimethylpiperidinido-<i>N</i>:<i>N</i>)dilithium]-μ-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>:<i>N</i>')]","Acta Crystallographica Section C","1999","55","6","867","869","10.1107/S0108270199001171","","","0.71073","MoKα","","0.05","0.038","","","","0.109","","","","","","1.027","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008584","9.733","0.003","17.579","0.004","13.016","0.003","90","","97.12","0.02","90","","2209.8","1","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Mo N2 -","- C22 H32 Mo N2 -","- C88 H128 Mo4 N8 -","4","1","LN1081","Clegg, William; Elsegood, Mark R. J.; Dyer, Philip W.; Gibson, Vernon C.; Marshall, Edward L.","Dibenzylbis(<i>tert</i>-butylimido)molybdenum(VI), containing both η^1^- and η^2^-benzyl ligands","Acta Crystallographica Section C","1999","55","6","916","918","10.1107/S0108270199003510","","","0.71073","MoKα","","0.02","0.018","","","","0.051","","","","","","1.086","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008585","9.003","0.005","12.699","0.003","20.522","0.008","90","","90","","90","","2346.3","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","melaniline","N,N' diphenyl guanidine","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","2","NA1391","Paixão, J. A.; Matos Beja, A.; Pereira Silva, P. S.; Ramos Silva, M.; Alte da Veiga, L.","A new orthorhombic phase of <i>N</i>,<i>N</i>'-diphenylguanidine","Acta Crystallographica Section C","1999","55","6","1037","1040","10.1107/S0108270199002462","","","0.71073","MoKα","","0.0628","0.0364","","","","0.1094","","","","","","1.03","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008586","15.67","0.004","10.556","0.002","12.258","0.004","90","","96.1","0.01","90","","2016.1","0.9","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2R,3R)-5-(N-benzyl-N-methylamino)-2-[N-(4-methoxyphenyl)carbamoyl]-4-nitro-2-phenyl-2,3-dihydro-3-thienyl]-1,2,3,4,5-penta-O-acetyl-D-manno-pentitol","","- C41 H45 N3 O14 S -","- C41 H45 N3 O14 S -","- C82 H90 N6 O28 S2 -","2","1","NA1392","María Jesús Diánez; María Dolores Estrada; Amparo López-Castro; Simeón Pérez-Garrido","Study of a diastereoisomeric dihydrothiophene derivative at 150K","Acta Crystallographica Section C","1999","55","6","1020","1023","10.1107/S010827019900102X","","","0.71073","MoKα","","0.047","0.042","","0.124","0.119","","","","1.047","1.054","1.054","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008587","7.32","0.004","20.15","0.005","10.448","0.003","90","","103.33","0.04","90","","1499.5","1","299","3","299","3","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Disodium hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate(2-) tetrahydrate","","- C20 H28 Co Na2 O26 -","- C20 H28 Co Na2 O26 -","- C40 H56 Co2 Na4 O52 -","2","0.25","NA1397","Karanović, Ljiljana; Poleti, Dejan; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Disodium hexaaquacobalt(II) bis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2 ‒)] tetrahydrate","Acta Crystallographica Section C","1999","55","6","911","913","10.1107/S0108270199002498","","","0.71069","MoKα","","0.057","0.045","","0.1207","","0.1159","","","0.945","","","0.987","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008588","5.4931","0.0001","22.2521","0.0003","11.035","0.0002","90","","104.23","0.001","90","","1307.45","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C14 H13 I O3 -","- C14 H13 I O3 -","- C56 H52 I4 O12 -","4","1","NA1400","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","9-Hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","6","946","948","10.1107/S0108270199002036","","","0.71073","MoKα","","0.06","0.053","","","","0.151","","","","","","1.208","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008589","13.6977","0.0005","19.8307","0.0008","12.7594","0.0008","90","","90","","90","","3465.9","0.3","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S,3R)-Carpropamide","","","- C15 H18 Cl3 N O -","- C15 H18 Cl3 N O -","- C120 H144 Cl24 N8 O8 -","8","2","NA1401","Koketsu, Mamoru; Kagabu, Shinzo; Matsuoka, Masashi","Absolute configuration of the active stereoisomer of new rice fungicide Carpropamid","Acta Crystallographica Section C","1999","55","6","1025","1027","10.1107/S0108270199002504","","","0.7107","MoKα","","0.0952","0.0552","","","","0.0671","","","","","","1.484","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008590","7.3993","0.0002","8.9006","0.0002","11.7469","0.0003","101.651","0.001","100.54","0.001","93.448","0.001","741.11","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro(di-2-pyridylamine-N,N')(propionato-O,O')copper(II) Monohydrate","","- C13 H16 Cl Cu N3 O3 -","- C13 H16 Cl Cu N3 O3 -","- C26 H32 Cl2 Cu2 N6 O6 -","2","1","NA1404","Sujittra Youngme; Kandasamy Chinnakali; Suchada Chantrapromma; Hoong-Kun Fun","Chloro(di-2-pyridyl-κ<i>N</i>-amine)(propionato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate","Acta Crystallographica Section C","1999","55","6","899","901","10.1107/S0108270199002048","","","0.71073","MoKα","","0.037","0.031","","","","0.087","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008591","13.088","0.001","8.765","0.001","18.717","0.001","90","","97.77","0.01","90","","2127.4","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 N12 P4 -","- C34 H72 N12 P4 -","- C68 H144 N24 P8 -","2","0.5","NA1406","Hökelek, Tuncer; Kılıç, Emine; Kılıç, Zeynel","<i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexapiperidinocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1999","55","6","983","985","10.1107/S0108270199002474","","","0.71073","MoKα","","","0.037","","","","0.053","","","","","","1.2","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008592","15.578","0.001","22.428","0.001","19.406","0.001","90","","108.83","0.01","90","","6417.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2'-formylphenyl)-1,4-dioxabutane S-methylbenzyl dithiocarbazate Cobalt(II)","","- C32 H28 Co N4 O2 S4 -","- C32 H28 Co N4 O2 S4 -","- C256 H224 Co8 N32 O16 S32 -","8","1","NA1408","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Xu-Hui Zhu; Xiao-Feng Chen; Jing-Lin Zuo; Xiao-Zeng You","A neutral cobalt(II) complex of a Schiff base ligand containing mixed O~2~S~2~N~2~ donors","Acta Crystallographica Section C","1999","55","6","896","899","10.1107/S0108270199001602","","","0.71073","MoKα","","0.133","0.059","","0.109","","0.087","","","1.036","","","1.145","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008593","7.3875","0.0002","12.4718","0.0003","14.8382","0.0004","90","","96.727","0.001","90","","1357.71","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Methoxybenzaldehyde Isonicotinoyl Hydrazone Monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","NA1409","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhong-Lin Lu; Wen Xiao; Ye-Xiang Tong; Bei-Sheng Kang","<i>p</i>-Methoxybenzaldehyde isonicotinoylhydrazone monohydrate","Acta Crystallographica Section C","1999","55","6","942","944","10.1107/S0108270199002486","","","0.71073","MoKα","","0.0722","0.0485","","","","0.1413","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008594","18.46","0.004","6.552","0.0005","32.603","0.007","90","","103.34","0.01","90","","3836.9","1.2","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetraphenylphosphonium tetra(1-methyl-1,2,3,4-tetrazol-5-thiolato)aurate(III)","","- C32 H33 Au N16 O0.5 P S4 -","- C32 H33 Au N16 O0.5 P S4 -","- C128 H132 Au4 N64 O2 P4 S16 -","4","0.5","NA1415","Schulz Lang, Ernesto; Dahmer, Marisa; Abram, Ulrich","Tetraphenylphosphonium tetrakis(1-methyl-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)aurate(III) hemihydrate","Acta Crystallographica Section C","1999","55","6","854","856","10.1107/S0108270199004357","","","0.71073","MoKα","","0.043","0.024","","","","0.06","","","","","","1.056","","","","has coordinates,has Fobs","188927","2020-10-21","18:00:00",""
"2008595","7.208","0.002","6.291","0.004","14.432","0.005","90","","104.04","0.02","90","","634.9","0.5","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(2'-hydroxyphenylamino)-5,5-dimethyl-2-cyclohexenone","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","NA1416","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán Solano","3-(2-Hydroxyphenylamino)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section C","1999","55","6","1029","1031","10.1107/S0108270199004369","","","1.54184","CuKα","","0.044","0.043","","0.133","","0.133","","","1.139","","","1.139","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008596","24.0723","0.0005","6.6483","0.0001","5.3569","0.0001","90","","90","","90","","857.32","0.03","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","OA1071","Hoong-Kun Fun; Ping Yang; Minoru Sasaki; Masasi Inoue; Hideoki Kadomatsu","γ-Mo~4~O~11~","Acta Crystallographica Section C","1999","55","6","841","843","10.1107/S0108270199000165","","","0.71073","MoKα","","0.039","0.038","","0.093","0.092","","","","1.293","1.292","1.292","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008597","7.712","0.005","9.617","0.005","16.155","0.003","90","","101.88","0.03","90","","1172.5","1","173.2","","173.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-t-butyl-3-(N,N-dimethylcarbamoyl)pyridine","","- C12 H18 N2 O -","- C12 H18 N2 O -","- C48 H72 N8 O4 -","4","1","OA1072","Yuji Mikata; Ryoko Maesaki","Unexpectedly produced 2-<i>tert</i>-butyl-5-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine from 2-chloro-3-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine with a <i>tert</i>-butyl Grignard reagent","Acta Crystallographica Section C","1999","55","6","973","975","10.1107/S0108270198013079","","","0.7107","MoKα","","0.0586","0.0512","","0.0907","0.0847","","","","1.419","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008598","6.8422","0.0008","12.4","0.001","12.609","0.001","90","","94.825","0.008","90","","1066","0.17","130","0.1","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-allyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C9 H17 N O3 Si -","- C9 H17 N O3 Si -","- C36 H68 N4 O12 Si4 -","4","1","OA1074","White, Jonathan M.; Jones, Scott","Low-temperature structure of allyl silatrane","Acta Crystallographica Section C","1999","55","6","962","963","10.1107/S0108270199002371","","","0.71069","MoKα","","0.03","0.028","","","","0.074","","","","","","1.059","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008599","9.6615","0.001","9.7829","0.001","18.4857","0.001","101.784","0.01","96.993","0.01","115.568","0.01","1498.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-P)]cobalt(II)","","- C34 H28 Cl2 Co Fe P2 -","- C34 H28 Cl2 Co Fe P2 -","- C68 H56 Cl4 Co2 Fe2 P4 -","2","1","OB1001","Park, Tae-Jin; Huh, Seong; Kim, Youngmee; Jun, Moo-Jin","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]cobalt(II)","Acta Crystallographica Section C","1999","55","6","848","850","10.1107/S0108270199001183","","","0.71073","MoKα","","0.078","0.036","","","","0.095","","","","","","1.034","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008600","9.641","0.004","10.251","0.004","13.893","0.005","90","","101","0.03","90","","1347.8","0.9","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O7 -","- C26 H32 N2 O7 -","- C52 H64 N4 O14 -","2","1","OB1005","Kazuhiro Yamato; Hiroyuki Miyake; Ken Hirotsu; Yoshitane Kojima","<i>N</i>-<i>tert</i>-Butoxycarbonyl-<i>N</i>,<i>N</i>'-ethylene-bridged (<i>S</i>)-tyrosyl-(<i>S</i>)-tyrosine methyl ester","Acta Crystallographica Section C","1999","55","6","1023","1025","10.1107/S0108270199002449","","","0.7107","MoKα","","","0.039","","","0.042","","","","","1.962","1.962","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008601","9.713","0.002","12.079","0.003","7.716","0.002","93.11","0.02","106.85","0.02","81.92","0.02","857.7","0.4","224.4","","","","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-8-quinolinolate)tin(II)","","- C20 H16 N2 O2 Sn -","- C20 H16 N2 O2 Sn -","- C40 H32 N4 O4 Sn2 -","2","1","OB1007","Kitamura, Chitoshi; Yoneda, Akio; Sugiura, Ken-ichi; Sakata, Yoshiteru","Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)tin(II)","Acta Crystallographica Section C","1999","55","6","876","878","10.1107/S0108270199002887","","","0.7107","MoKα","","0.034","0.031","","0.089","","0.089","","","1.551","","","1.551","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008602","11.6141","0.0015","15.9238","0.0014","15.115","0.002","90","","100.31","0.01","90","","2750.2","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B9 P -","- C25 H38 B9 P -","- C100 H152 B36 P4 -","4","1","OS1036","Sillanpää, Reijo; Pedrajas, Josefina; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko","(PMePh~3~)(7,8-Et~2~-7,8-<i>nido</i>-C~2~B~9~H~10~)","Acta Crystallographica Section C","1999","55","6","1008","1009","10.1107/S0108270199002516","","","0.71069","MoKα","","0.1762","0.0657","","","","0.1491","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008603","9.3229","0.0003","9.2536","0.0001","14.0823","0.0004","90","","90","","90","","1214.89","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","μ-oxalato-O,O',O'', O''')(2,2'-bipyridine-N,N')Fe(II)","","- C12 H8 Fe N2 O4 -","- C12 H8 Fe N2 O4 -","- C48 H32 Fe4 N8 O16 -","4","1","OS1041","Fun, Hoong-Kun; Shanmuga Sundara Raj, S.; Fang, Xia; Zheng, Li-Min; Xin, Xin-Quan","<i>catena</i>-Poly[[(2,2'-bipyridine)iron(II)]-μ-oxalato]","Acta Crystallographica Section C","1999","55","6","903","905","10.1107/S0108270199001924","","","0.71073","MoKα","","0.13","0.057","","0.092","0.072","","","","1.112","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008604","9.8412","0.0006","15.6366","0.0007","9.4044","0.0005","90","","90","","90","","1447.18","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6,7-dihydroxy-1-(2-methoxypropyl)-1,2,3,4-tetrahydroisoquinolinium chloride hydrate","","- C13 H22 Cl N O4 -","- C13 H22 Cl N O4 -","- C52 H88 Cl4 N4 O16 -","4","1","OS1043","Domagała, Małgorzata; Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Brzezińska, Elżbieta","X-ray investigations of potential β-blockers. IV","Acta Crystallographica Section C","1999","55","6","1003","1005","10.1107/S0108270199002383","","","1.54178","CuKα","","0.035","0.029","","","","0.08","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008605","6.9675","0.0001","9.5232","0.0002","11.0979","0.0003","97.556","0.001","104.298","0.001","95.403","0.001","701.2","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thione","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C28 H20 Cl2 N6 S2 -","2","1","OS1044","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","5-(2-Chlorophenyl)-4-phenyl-3,4-dihydro-2<i>H</i>-1,2,4-triazole-3-thione","Acta Crystallographica Section C","1999","55","6","951","953","10.1107/S0108270199002796","","","0.71073","MoKα","","0.052","0.041","","","","0.109","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008606","9.4282","0.0011","18.717","0.0012","19.6325","0.0012","90","","103","0.002","90","","3375.7","0.5","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 I2 N4 Ni O2 Zn -","- C31 H34 I2 N4 Ni O2 Zn -","- C124 H136 I8 N16 Ni4 O8 Zn4 -","4","1","OS1045","Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Akay, Abdülkadir; Ülkü, Dinçer","{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(3,5-dimethylpyridine)nickel(II)}diiodozinc(II)","Acta Crystallographica Section C","1999","55","6","928","930","10.1107/S0108270199002802","","","0.71073","MoKα","","","0.025","","","0.033","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008607","7.2691","0.0007","10.4214","0.0013","16.868","0.002","90","","90","","90","","1277.8","0.3","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-amino-3-methyl-1-butanol-(2S,3S)-hydrogen-tartrate monohydrate","","- C9 H21 N O8 -","- C9 H21 N O8 -","- C36 H84 N4 O32 -","4","1","OS1047","Bruun, Rikke Mattsson; Larsen, Sine","(<i>S</i>)-2-Amino-3-methyl-1-butanol (2<i>S</i>,3<i>S</i>)-hydrogen tartrate monohydrate","Acta Crystallographica Section C","1999","55","6","956","958","10.1107/S0108270199003042","","","1.54184","CuKα","","0.0262","0.0256","","","","0.0731","","","","","","1.077","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008608","9.7934","0.0002","9.5005","0.0001","15.2958","0.0001","90","","102.297","0.001","90","","1390.5","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-methyl-3-(2-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","OS1049","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)","Acta Crystallographica Section C","1999","55","6","948","951","10.1107/S0108270199000864","","","0.71073","MoKα","","0.119","0.056","","","","0.163","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008609","24.482","0.0012","7.5509","0.0004","7.506","0.0004","90","","90","","90","","1387.57","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","7-methyl-3-(4-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","OS1049","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)","Acta Crystallographica Section C","1999","55","6","948","951","10.1107/S0108270199000864","","","0.71073","MoKα","","0.064","0.048","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008610","6.573","0.005","10.687","0.005","30.531","0.005","90","","90","","90","","2144.7","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-dicholoro-5-nitrobenzoic sodium dihydrate","","- C7 H6 Cl2 N Na O6 -","- C7 H6 Cl2 N Na O6 -","- C56 H48 Cl16 N8 Na8 O48 -","8","1","QA0071","Morales, Angel Dago; Novoa de Armas, Héctor; Lisbet Xuárez Marill; Rolando Pellón Comdom; García-Granda, Santiago","Sodium 2,4-dichloro-5-nitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","6","IUC9900056","","10.1107/S0108270199099382","","","0.71069","MoKα","","0.122","0.057","","0.197","0.138","","","","1.204","1.266","1.266","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008611","7.507","0.001","7.507","0.001","7.507","0.001","92.29","0.02","92.29","0.02","92.29","0.02","422.02","0.1","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","Sodium iodide tris(1,4-dioxane)","","","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","- C12 H24 I Na O6 -","1","0.166667","QA0095","Belsky, Vitaly K.; Maslennikova, Vera I.","Sodium tris(1,4-dioxane) iodide","Acta Crystallographica Section C","1999","55","6","IUC9900057","","10.1107/S0108270199099370","","","0.71073","MoKα","","0.022","0.022","","","","0.063","","","","","","1.108","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008612","8.1525","0.0005","7.9948","0.0005","12.7269","0.0006","90","","108.008","0.004","90","","788.87","0.08","293","2","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","Bis(3-acetylamino-1,2,4-triazole-O,N^4^) dinitratocopper (II)","","- C8 H12 Cu N10 O8 -","- C8 H12 Cu N10 O8 -","- C16 H24 Cu2 N20 O16 -","2","0.5","QA0112","Virovets, Alexander V.; Naumov, Dmitry Yu.; Lavrenova, Ludmila G.; Bushuev, Mark B.","Bis(3-acetylamino-1,2,4-triazole-<i>O</i>,<i>N</i>^4^)bis(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","6","IUC9900059","","10.1107/S0108270199099357","","","0.71069","MoKα","","0.04","0.034","","","","0.104","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008613","6.676","0.001","5.567","0.0009","11.471","0.003","90","","103.88","0.04","90","","413.87","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Dimethyl-2,2'-biimidazole","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","QA0113","Therrien, Bruno; Beauchamp, André L.","1,1'-Dimethyl-2,2'-biimidazole","Acta Crystallographica Section C","1999","55","6","IUC9900054","","10.1107/S0108270199099321","","","0.71069","MoKα","","0.048","0.036","","0.088","","0.084","","","0.911","","","1.027","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008614","11.046","0.001","12.545","0.001","13.624","0.001","90","","90","","90","","1887.9","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br4 -","- C17 H24 Br4 -","- C68 H96 Br16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.041","","","0.071","","","","","1.65","1.65","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008615","11.018","0.001","12.278","0.001","13.299","0.001","90","","90","","90","","1799.1","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl4 -","- C17 H24 Cl4 -","- C68 H96 Cl16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.048","","","0.131","","","","","1.484","1.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008616","9.599","0.001","11.922","0.001","13.517","0.001","90","","90","","90","","1546.9","0.2","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 -","- C16 H24 Cl2 -","- C64 H96 Cl8 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.063","","","0.134","","","","","1.469","1.469","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008617","7.153","0.001","11.035","0.002","26.824","0.004","90","","90","","90","","2117.3","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-di-p-methoxyphenyl ammonium alcohol-L-tartrate-water","","- C20 H27 N O10 -","- C20 H27 N O10 -","- C80 H108 N4 O40 -","4","1","QA0116","Jian, Liao; Chen, Daimo; Jiang, Yaozhong; Yu, Kaibei; Chan, Albert S. C.","[2-Hydroxy-(1<i>S</i>,2<i>R</i>)-1,2-bis(4-methoxyphenyl)ethyl]ammonium <small>L</small>-tartrate hydrate","Acta Crystallographica Section C","1999","55","6","IUC9900053","","10.1107/S0108270199099308","","","0.71073","MoKα","","0.067","0.036","","0.103","0.073","","","","0.826","0.973","0.973","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008618","5.993","0.004","5.993","0.004","12.574","0.008","90","","90","","90","","451.6","0.5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium periodate","Ammonium tetraoxoiodate(VII)","","- H4 I N O4 -","- H4 I N O4 -","- H16 I4 N4 O16 -","4","0.25","QA0117","Levason, William; Webster, Michael","Ammonium tetraoxoiodate(VII)","Acta Crystallographica Section C","1999","55","6","IUC9900052","","10.1107/S0108270199099394","","","0.71073","MoKα","","0.022","0.018","","","","0.049","","","","","","1.091","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008619","7.3408","0.0002","8.632","0.0002","15.0033","0.0003","73.476","0.001","85.741","0.001","70.288","0.001","857.78","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hexaaquonickel(II) diaquo-μ-triethylenetetraaminehexaacetatodinickel(II) tetrahydrate","","- C18 H48 N4 Ni3 O24 -","- C18 H48 N4 Ni3 O24 -","- C18 H48 N4 Ni3 O24 -","1","0.5","QA0118","Li, Dong-Feng; Liao, Zhan-Ru; Xiong, Yun","A dinuclear nickel(II) complex with triethylenetetraaminehexaacetic acid","Acta Crystallographica Section C","1999","55","6","IUC9900058","","10.1107/S0108270199099369","","","0.71073","MoKα","","0.033","0.028","","0.077","0.075","","","","1.026","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008620","15.7794","0.0004","4.8525","0.0002","9.8771","0.0003","90","","97.952","0.001","90","","749.01","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-aminophenyl acetic acid","DL-2-amino-2-phenyl ethanoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QA0123","Dalhus, Bjørn; Görbitz, Carl Henrik","<small>DL</small>-Aminophenylacetic acid","Acta Crystallographica Section C","1999","55","6","IUC9900061","","10.1107/S0108270199099291","","","0.71073","MoKα","","0.097","0.058","","0.158","","0.139","","","1.033","","","1.11","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008621","8.5125","0.0002","18.262","0.0004","11.2164","0.0002","90","","105.328","0.001","90","","1681.62","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28 H24 Cl8 P2 Pd -","- C28 H24 Cl8 P2 Pd -","- C56 H48 Cl16 P4 Pd2 -","2","0.5","QA0124","Juanatey, Pilar; Suárez, Antonio; López, Margarita; Vila, José M.; Ortigueira, Juan M.; Fernández, Alberto","<i>cis</i>-[1,2-Bis(diphenylphosphino)ethene]dichloropalladium(II) bis(trichloromethane) solvate","Acta Crystallographica Section C","1999","55","6","IUC9900062","","10.1107/S0108270199099345","","","0.71073","MoKα","","0.054","0.041","","","","0.116","","","","","","1.028","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008622","9.6489","0.0009","13.0543","0.0011","14.1245","0.0007","90","","101.173","0.006","90","","1745.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]-1,4-selenazepine","","- C18 H18 Cl N3 Se -","- C18 H18 Cl N3 Se -","- C72 H72 Cl4 N12 Se4 -","4","1","QA0125","Dupont, Léon; Pignon, Bernard; Christiaens, Léon","8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-selenazepine","Acta Crystallographica Section C","1999","55","6","IUC9900064","","10.1107/S010827019909928X","","","1.5418","CuKα","","0.049","0.035","","","","0.1","","","","","","1.007","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008623","21.913","0.002","5.254","0.002","23.553","0.002","90","","112.41","0.02","90","","2506.9","1.1","293","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6-(cyclohexylmethylene)salicylic acid","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","QA0126","Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E","Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid","Acta Crystallographica Section C","1999","55","6","IUC9900063","","10.1107/S0108270199099278","","","0.7107","MoKα","","","0.0513","","","","0.1741","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008624","12.2361","0.0008","17.152","0.002","6.4725","0.0006","90","","97.01","0.004","90","","1348.3","0.2","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-(2'-cyclohexylethylene)salicylic acid","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","QA0126","Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E","Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid","Acta Crystallographica Section C","1999","55","6","IUC9900063","","10.1107/S0108270199099278","","","0.7107","MoKα","","","0.0628","","","","0.2205","","","","","","1.075","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008625","11.9149","0.0005","16.8717","0.0006","18.1365","0.0004","90","","106.193","0.006","90","","3501.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triquinolinium hexanitratolanthate(III) monohydrate","","- C27 H26 La N9 O19 -","- C27 H26 La N9 O19 -","- C108 H104 La4 N36 O76 -","4","1","QA0127","Yong Cui; Fakun Zheng; Jiutong Chen; Jinshun Huang","Triquinolinium hexanitratolanthate(III) monohydrate","Acta Crystallographica Section C","1999","55","6","IUC9900065","","10.1107/S0108270199099333","","","0.71073","MoKα","","0.036","0.029","","0.066","","0.064","","","1.153","","","1.171","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008626","5.91","0.001","11.21","0.002","15.961","0.002","90","","90","","90","","1057.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O2 P -","- C11 H15 O2 P -","- C44 H60 O8 P4 -","4","1","QB0096","Deng, Jingen; He, Ze; Yu, Kaibai; Mi, Aiqiao; Jiang, Yaozhong","(2<i>R</i>,<i>S</i>~P~)-2-Hydroxymethyl-1-phenylphospholane 1-oxide","Acta Crystallographica Section C","1999","55","6","IUC9900060","","10.1107/S0108270199099266","","","0.71073","MoKα","","0.035","0.03","","0.075","0.074","","","","0.984","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008627","12.193","0.001","17.562","0.002","21.84","0.003","90","","97.71","0.01","90","","4634.4","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[triphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}","","- C23 H23 N O3 S Sn -","- C23 H23 N O3 S Sn -","- C184 H184 N8 O24 S8 Sn8 -","8","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.068","0.042","","","","0.108","","","","","","1.018","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008628","27.404","0.001","17.855","0.001","21.682","0.001","90","","98.11","0.01","90","","10502.9","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[triphenyltin-μ-(N,N-pentamethylenecarbamoylthioacetato)-O:O']}","","- C26 H27 N O3 S Sn -","- C26 H27 N O3 S Sn -","- C416 H432 N16 O48 S16 Sn16 -","16","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.104","0.057","","","","0.169","","","","","","1.095","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008629","12.307","0.002","17.528","0.002","21.781","0.004","90","","97.77","0.01","90","","4655.4","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Sn(C5H9)(C6H5)2(C5H8NO3S)]","catena-poly[cyclopentyldiphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}","","- C22 H27 N O3 S Sn -","- C22 H27 N O3 S Sn -","- C176 H216 N8 O24 S8 Sn8 -","8","2","SK1236","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate","Acta Crystallographica Section C","1999","55","6","889","894","10.1107/S0108270199001286","","","0.71073","MoKα","","0.138","0.062","","","","0.185","","","","","","1.049","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008630","8.9654","0.0003","9.6447","0.0003","20.0666","0.0005","78.475","0.001","81.518","0.001","83.786","0.001","1675.99","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2- ethanediylbis(nitrilomethylidene-N)]diphenolato-O,O'}copper(II) diperchlorate monohydrate","","- C28 H40 Cl2 Cu N4 O13 -","- C28 H40 Cl2 Cu N4 O13 -","- C56 H80 Cl4 Cu2 N8 O26 -","2","1","SK1242","S. Shanmuga Sundara Raj; R. Thirumurugan; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy","{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2-ethanediylbis(nitrilomethylidene-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}copper(II) diperchlorate monohydrate","Acta Crystallographica Section C","1999","55","6","894","896","10.1107/S0108270199001298","","","0.71073","MoKα","","0.106","0.068","","","","0.182","","","","","","1.117","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008631","7.3215","0.0001","17.3709","0.0002","13.3435","0.0002","90","","90","","90","","1697.04","0.04","173","","173","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H18 Cl4 N2 Ti -","- C14 H18 Cl4 N2 Ti -","- C56 H72 Cl16 N8 Ti4 -","4","","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0351","0.029","","0.068","0.0651","0.068","","","1.108","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008632","7.184","0.001","8.014","0.002","14.151","0.003","90","","90","","90","","814.7","0.3","173","","173","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 N2 Ti -","- C12 H14 Cl4 N2 Ti -","- C24 H28 Cl8 N4 Ti2 -","2","0.25","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0556","0.0471","","0.1086","0.1062","0.1086","","","1.31","","","1.31","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008633","7.8998","0.0002","9.9722","0.0003","16.0448","0.0005","107.54","0.001","93.784","0.001","99.551","0.001","1179.43","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Cl16 N12 Ti3 -","- C24 H40 Cl16 N12 Ti3 -","- C24 H40 Cl16 N12 Ti3 -","1","0.5","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0829","0.0463","","0.0933","0.0823","0.0933","","","1.039","","","1.039","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2008634","7.888","0.001","8.643","0.001","29.832","0.001","90","","90","","90","","2033.8","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S,1'R)-3-(1-Naphth-1-yl-2-nitro-ethyl)-6-isopropyl-2,5- dimethoxy-3,6-dihydro-pyrazine","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","1.5418","CuKα","","0.0358","0.0352","","","","0.113","","","","","","0.968","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008635","8.88","0.002","6.748","0.002","17.73","0.004","90","","100.42","0.03","90","","1044.9","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C38 H54 N6 O12 -","2","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.1453","0.0694","","","","0.1701","","","","","","1.126","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008636","8.514","0.001","9.301","0.001","20.119","0.002","90","","90","","90","","1593.2","0.3","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0481","0.0436","","","","0.121","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008637","8.211","0.001","9.254","0.001","20.861","0.002","90","","90","","90","","1585.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-[(R)-Hydroxy-phenyl-methyl]-6-isopropyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0518","0.0432","","0.1213","0.1147","","","","1.136","1.18","1.18","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008638","5.803","0.001","10.486","0.001","14.762","0.001","90","","90.05","0.01","90","","898.27","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3RS,6SR)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","0.5","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0426","0.0369","","0.1076","0.1025","","","","1.041","1.088","1.088","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008639","10.998","0.001","11.513","0.001","14.464","0.001","90","","90","","90","","1831.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,6S)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0514","0.0418","","0.1032","0.0971","","","","1.08","1.121","1.121","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008640","5.88","0.001","7.449","0.001","11.197","0.001","98.41","0.01","90.13","0.01","91.97","0.01","484.86","0.11","293","","293","","","","","","","","","5","P 1","P 1","1","","(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","- C20 H17 F5 N2 O2 -","1","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","1.5418","CuKα","","0.0386","0.0371","","0.1137","0.1107","","","","1.05","1.056","1.056","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008641","6.441","0.001","9.036","0.001","32.996","0.004","90","","90","","90","","1920.4","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-Benzyl-6-(cyclohexyl-methyl)-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.1064","0.0626","","0.1584","0.1344","","","","1.046","1.167","1.167","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008642","6.86","0.001","16.461","0.001","20.386","0.002","90","","90","","90","","2302","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0637","0.0429","","0.1078","0.0964","","","","1.032","1.112","1.112","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008643","5.7445","0.0008","5.7445","0.0008","17.235","0.005","90","","90","","120","","492.55","0.17","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bi nitro aluminate","Tetracalcium dialuminium hydroxide binitrate tetrahydrate","","- Al2 Ca4 H20 N2 O22 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","- Al2 Ca4 H12 N2.0004 O22.0016 -","1","0.0833333","SK1257","Renaudin, Guillaume; François, Michel","The lamellar double-hydroxide (LDH) compound with composition 3CaO^.^Al~2~O~3~^.^Ca(NO~3~)~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","6","835","838","10.1107/S0108270199003066","","","0.71073","MoKα","","0.039","0.036","","","","0.1","","","","","","1.164","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008644","13.492","0.0002","9.6317","0.0001","16.9975","0.0003","90","","90","","90","","2208.84","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Diazidobis-1,10-phenanthroline manganese(II)","","- C24 H16 Mn N10 -","- C24 H16 Mn N10 -","- C96 H64 Mn4 N40 -","4","0.5","SK1267","Shen, Zhen; Zuo, Jing-Lin; Chinnakali, Kandasamy; Fun, Hoong-Kun; You, Xiao-Zeng","Diazidobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","1999","55","6","901","903","10.1107/S010827019900181X","","","0.71073","MoKα","","0.048","0.037","","","","0.118","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008645","11.6166","0.0009","8.2634","0.0008","18.2929","0.0018","90","","98.856","0.007","90","","1735","0.3","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 Cu N2 O2 Zn -","- C17 H16 Cl2 Cu N2 O2 Zn -","- C68 H64 Cl8 Cu4 N8 O8 Zn4 -","4","1","SK1278","Tatar, Leyla; Atakol, Orhan; Ülkü, Dinçer; Aksu, Mecit","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichlorozinc(II)","Acta Crystallographica Section C","1999","55","6","923","925","10.1107/S0108270199003091","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","0.99","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008646","16.4555","0.0009","16.4555","0.0009","44.178","0.005","90","","90","","120","","10360","1.4","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","μ~3~-iodine-2:3:4κ^3^I-sulfido-1κS-tri-μ~3~-sulfido-1:2:3κ^3^S; 1:2:4κ^3^S;-1:3:4κ^3^S-tris(triphenylphosphine)-2κP;3κP;4κP","","- C72 H60 Ag3 I P4 S5 W -","- C72 H60 Ag3 I P4 S5 W -","- C432 H360 Ag18 I6 P24 S30 W6 -","6","0.333333","TA1221","Jin, Qiong-Hua; Xin, Xiu-Lan; Deng, Yu-Heng; Yu, Kai-Bei","μ~3~-Iodo-2:3:4κ^3^<i>I</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-trisilvertungsten‒triphenylphosphine sulfide (1/1)","Acta Crystallographica Section C","1999","55","6","860","863","10.1107/S0108270199002978","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.007","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008647","7.552","0.002","18.013","0.003","8.057","0.002","90","","105.02","0.02","90","","1058.6","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl4 Ru2 -","- C19.992 H18.624 Cl4 Ru2 -","- C39.984 H37.248 Cl8 Ru4 -","2","0.5","TA1223","Mark Bown; Martin A. Bennett","Di-μ-chloro-bis{chloro[(4a,5,6,7,8,8a-η^6^)-1,2,3,4-tetrahydronaphthalene]ruthenium(II)}","Acta Crystallographica Section C","1999","55","6","852","854","10.1107/S0108270199002589","","","0.7107","MoKα","","0.038","0.027","","0.036","","0.035","","","1.792","","","1.916","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008648","6.264","0.002","9.035","0.004","22.362","0.009","90","","90","","90","","1265.6","0.9","152","2","152","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-D-3,4-anhydro-1,2:5,6-di-O-isopropylidene-allo-inositol","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","TA1231","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-3,4-Anhydro-1,2:5,6-di-<i>O</i>-isopropylidene-<i>allo</i>-inositol","Acta Crystallographica Section C","1999","55","6","958","960","10.1107/S0108270199002607","","","0.71073","MoKα","","0.095","0.051","","0.093","0.081","","","","1.042","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008649","6.411","0.002","20.092","0.002","8.93","0.002","90","","103.24","0.02","90","","1119.7","0.5","248","","248","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","TA1232","Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru","<i>N</i>-(Isopropyl)norbornane-<i>endo</i>-2,3-dicarboximide","Acta Crystallographica Section C","1999","55","6","960","962","10.1107/S0108270199002619","","","1.54184","CuKα","","","0.065","","","","0.151","","","","","","1.96","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008650","9.0204","0.0001","13.9921","0.0002","15.898","0.0001","106.022","0.001","90.673","0.001","98.479","0.001","1904.63","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(μ-hydrido)(μ-2-hydroxyethoxy)decacarbonyltriosmium","","- C12 H6 O12 Os3 -","- C12 H6 O12 Os3 -","- C48 H24 O48 Os12 -","4","2","TA1235","Leong, Weng Kee; Lum, Mien Wei","Decacarbonyl(μ-hydrido)(μ-2-hydroxyethoxy)triosmium","Acta Crystallographica Section C","1999","55","6","881","882","10.1107/S0108270199002620","","","0.71073","MoKα","","0.075","0.051","","","","0.141","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008651","9.656","0.001","5.592","0.001","15.788","0.001","90","","102.68","0.01","90","","831.7","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:3,4:5,6-Tri-O-isopropylidene-D-manitol","","- C15 H26 O6 -","- C15 H26 O6 -","- C30 H52 O12 -","2","1","BK1441","Ping Liu; Ting-Bin Wen; Jian-Kai Cheng","1,2:3,4:5,6-Tri-<i>O</i>-isopropylidene-<small>D</small>-mannitol","Acta Crystallographica Section C","1999","55","7","1179","1181","10.1107/S0108270199002759","","","0.71073","MoKα","","0.044","0.04","","0.099","0.098","","","","1.058","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008652","8.0857","0.0009","8.5118","0.0005","10.4161","0.0007","88.788","0.007","73.155","0.008","77.352","0.007","668.78","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-carboxyl-2,6-dichlorophenylimino)imidazolidine dihydrate","","- C10 H13 Cl2 N3 O4 -","- C10 H13 Cl2 N3 O4 -","- C20 H26 Cl4 N6 O8 -","2","1","BK1445","E.M.Elssfah; K.Chinnakali; H.K.Fun; I.W.Mathison; E.K.Gan; M.Zubaid; T.W.Sam; C.Y.Tan","3,5-Dichloro-4-(imidazolidin-2-ylideneammonio)benzoate dihydrate","Acta Crystallographica Section C","1999","55","7","1115","1117","10.1107/S0108270199003832","","","0.71073","MoKα","","0.053","0.0383","","0.1104","0.1049","","","","1.045","1.162","1.162","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008653","7.5453","0.0003","12.0114","0.0005","13.5984","0.0005","109.342","0.001","99.98","0.001","98.593","0.001","1116.54","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","2","BK1448","Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun","3-Cyclopropyl-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole monohydrate","Acta Crystallographica Section C","1999","55","7","1119","1121","10.1107/S0108270199004448","","","0.71073","MoKα","","0.0421","0.0362","","","","0.1032","","","","","","1.052","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008654","17.1543","0.0008","10.7312","0.0005","20.6138","0.001","90","","101.618","0.001","90","","3717","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 Cl P2 Ru -","- C46 H45 Cl P2 Ru -","- C184 H180 Cl4 P8 Ru4 -","4","1","BK1451","Ilia A. Guzei; M. Angeles Paz-Sandoval; Román Torres-Lubian; Patricia Juarez-Saavedra","Chloro(pentamethyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)","Acta Crystallographica Section C","1999","55","7","1090","1092","10.1107/S010827019900253X","","","0.71073","MoKα","","0.0485","0.0301","","","","0.0649","","","","","","1.038","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008655","5.275","0.003","9.747","0.004","11.451","0.005","96.44","0.03","84.11","0.03","78.88","0.04","569.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","aziridinyl","Bis(2,2-dimethylaziridinyl)phosphinic amide","","- C8 H18 N3 O P -","- C8 H18 N3 O P -","- C16 H36 N6 O2 P2 -","2","1","BK1457","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","Bis(2,2-dimethylaziridinyl)phosphinic amide","Acta Crystallographica Section C","1999","55","7","1173","1175","10.1107/S0108270199003248","","","1.54178","CuKα","","0.045","0.042","","","","0.116","","","","","","1.08","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008656","18.409","0.002","7.2898","0.0006","5.6649","0.0004","90","","94.96","0.01","90","","757.37","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(1H-1,2,4-triazol-1-yl)phenol","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","BM1323","Foces-Foces, C.; Cabildo, P.; Claramunt, R. M.; Elguero, J.","4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenol","Acta Crystallographica Section C","1999","55","7","1160","1163","10.1107/S0108270199003558","","","1.5418","CuKα","","0.061","0.051","","0.044","0.039","","","","0.903","0.895","0.895","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008657","8.41","0.002","11.116","0.002","12.122","0.002","95.24","0.03","108.29","0.03","93.24","0.03","1067.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-phenylacetato-O:O')bis[(quinoline-N)cobalt(II)]","","- C50 H42 Co2 N2 O8 -","- C50 H42 Co2 N2 O8 -","- C50 H42 Co2 N2 O8 -","1","0.5","BM1324","Yong Cui; Fakun Zheng; Jinshun Huang","Tetrakis(μ-phenylacetato-<i>O</i>:<i>O</i>')bis[(quinoline-<i>N</i>)cobalt(II)]","Acta Crystallographica Section C","1999","55","7","1067","1069","10.1107/S0108270199004321","","","0.71073","MoKα","","0.056","0.047","","0.12","","0.116","","","1.041","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008658","20.412","0.003","20.412","0.003","10.482","0.002","90","","90","","90","","4367.3","1.2","120","","120","","","","","","","","","5","P 42/n :2","-P 4bc","86","","{μ-2,6-Bis(N-tert-butyliminomethylene)pyridine}rhodium(I) phenoxide","","- C21 H28 N3 O Rh -","- C21 H28 N3 O Rh -","- C168 H224 N24 O8 Rh8 -","8","1","BM1325","Kooijman, Huub; Kaagman, Jan Willem; Mach, Karel; Spek, Anthony L.; Schreurs, Antoine M.M.; Haarman, Hendrikus F.; Vrieze, Kees; Elsevier, Cornelis J.","[2,6-Bis(<i>N</i>-<i>tert</i>-butyliminomethyl)pyridine-κ^3^<i>N</i>](phenolato-κ<i>O</i>)rhodium(I)","Acta Crystallographica Section C","1999","55","7","1052","1054","10.1107/S0108270199003868","","","0.71073","MoKα","","0.06","0.057","","","","0.123","","","","","","1.454","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008659","10.581","0.001","10.089","0.001","5.8151","0.0008","90","","103.894","0.002","90","","602.61","0.12","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- K Na O6 V2 -","- K Na O6 V2 -","- K4 Na4 O24 V8 -","4","0.5","BR1213","Yongkui Shan; Songping D. Huang","A potassium sodium double salt of metavanadate, KNa(VO~3~)~2~","Acta Crystallographica Section C","1999","55","7","1048","1050","10.1107/S0108270198017995","","","0.7107","MoKα","","0.035","0.025","","0.044","","0.037","","","0.87","","","0.831","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008660","17.749","0.003","9.021","0.003","9.059","0.002","90","","90","","90","","1450.5","0.6","293","2","293","2","","","","","","","","2","C m c a","-C 2ac 2","64","","pentabarium tetraantimonide","","- Ba5 Sb4 -","- Ba5 Sb4 -","- Ba20 Sb16 -","4","","BR1235","Derrien, Gaelle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Pentabarium tetraantimonide, β-Ba~5~Sb~4~: a more symmetrical arrangement for the Ba~5~Sb~4~ compound","Acta Crystallographica Section C","1999","55","7","1044","1046","10.1107/S0108270199003984","","","0.71069","MoKα","","0.111","0.043","","","","0.102","","","","","","0.926","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008661","9.684","0.003","9.479","0.003","8.156","0.003","90","","95.33","0.02","90","","745.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride","","- C12 H26 Cl2 N4 -","- C12 H26 Cl2 N4 -","- C24 H52 Cl4 N8 -","2","0.5","BR1236","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from X-ray powder data","Acta Crystallographica Section C","1999","55","7","1099","1101","10.1107/S0108270199004138","","","1.54059","CuKα~1~","","","","","","","","","","2.33","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008662","9.198","0.001","10.559","0.001","10.593","0.001","68.94","0.01","79.01","0.01","67.41","0.01","884.8","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C38 H52 N4 O4 -","2","1","","Sievert, Mark; Nagel, Norbert; Bock, Hans; Dienelt, Rüdiger","Diisopropylammonium diphenylmethylnitronate at 200 K","Acta Crystallographica Section C","1999","55","","1149","1152","","","","","","","","0.0448","","","0.0965","","","","","","","","","","","has coordinates","31976","2020-10-21","18:00:00",""
"2008663","7.2665","0.0003","10.9212","0.0004","13.2862","0.0004","90","","96.477","0.001","90","","1047.65","0.07","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-hydroxyethyl)diisopropylammonium chloride","","- C8 H20 Cl N O -","- C8 H20 Cl N O -","- C32 H80 Cl4 N4 O4 -","4","1","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.078","0.047","","","","0.124","","","","","","1.031","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008664","8.9772","0.0002","8.069","0.0001","15.3032","0.0002","90","","95.937","0.001","90","","1102.57","0.03","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2-chloroethyl)diisopropylammonium chloride","","- C8 H19 Cl2 N -","- C8 H19 Cl2 N -","- C32 H76 Cl8 N4 -","4","1","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.043","0.03","","","","0.08","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008665","25.091","0.0006","6.7447","0.0002","13.3049","0.0002","90","","90","","90","","2251.61","0.09","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","diisopropyl(2-mercaptoethyl)ammonium chloride","","- C8 H20 Cl N S -","- C8 H20 Cl N S -","- C64 H160 Cl8 N8 S8 -","8","2","DE1104","Mahmoudkhani, Amir Hossein; Langer, Vratislav","(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives","Acta Crystallographica Section C","1999","55","7","1163","1167","10.1107/S010827019900356X","","","0.71073","MoKα","","0.039","0.032","","","","0.079","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008666","10.003","0.001","14.744","0.001","17.242","0.002","90","","92.14","0.01","90","","2541.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(2,2'-bipyridine)nickel (II) Diperchlorate","","- C20 H20 Cl2 N4 Ni O10 -","- C20 H20 Cl2 N4 Ni O10 -","- C80 H80 Cl8 N16 Ni4 O40 -","4","1","FG1527","Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina","Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","7","1087","1090","10.1107/S0108270199003881","","","0.71073","MoKα","","0.085","0.045","","","","0.143","","","","","","1.012","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008667","9.573","0.001","10.19","0.001","19.213","0.002","90","","90.32","0.01","90","","1874.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II)","","- C21 H17 Cu N3 O5 -","- C21 H17 Cu N3 O5 -","- C84 H68 Cu4 N12 O20 -","4","1","FR1120","Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","(5,6-Dimethyl-1,10-phenanthroline)(nitrato)(salicylaldehydato)copper(II)","Acta Crystallographica Section C","1999","55","7","1063","1065","10.1107/S0108270199001018","","","0.71073","MoKα","","0.083","0.045","","","0.103","0.118","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008668","10.67","0.001","11.752","0.001","12.099","0.001","83.93","0.01","72.21","0.01","74.02","0.01","1388.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate","","- C31 H25 Cu N3 O7 -","- C31 H25 Cu N3 O7 -","- C62 H50 Cu2 N6 O14 -","2","1","FR1122","Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate","Acta Crystallographica Section C","1999","55","7","1065","1067","10.1107/S0108270199001572","","","0.71073","MoKα","","0.078","0.051","","","0.127","0.144","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008669","17.432","0.004","17.339","0.004","11.538","0.004","90","","124.49","0.02","90","","2874.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4-bis(2'-formylphenyl)-1,4-dioxabutane bisthiosemicarbazone","2,2'-ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide)","","- C22 H32 N6 O4 S4 -","- C22 H32 N6 O4 S4 -","- C88 H128 N24 O16 S16 -","4","0.5","FR1153","Xu-Hui Zhu; Xiao-Feng Chen; Yong-Jiang Liu; Cun-Ying Duan; Xiao-Zeng You; Yu-Peng Tian; Fu-Xing Xie","2,2'-Ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide)","Acta Crystallographica Section C","1999","55","7","1175","1176","10.1107/S0108270199002334","","","0.71073","MoKα","","0.056","0.04","","0.111","0.102","","","","1.024","1.064","1.064","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008670","10.6433","0.0012","20.6568","0.0013","8.5187","0.0011","90","","91.762","0.002","90","","1872","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Cd3 N4 O8 -","- C38 H38 Cd3 N4 O8 -","- C76 H76 Cd6 N8 O16 -","2","0.5","FR1176","Atakol, Orhan; Aksu, Mecit; Ercan, Filiz; Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer","A linear trinuclear Cd^II^‒Cd^II^‒Cd^II^ complex with a μ-acetato bridge: bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]cadmium(II)}cadmium(II)","Acta Crystallographica Section C","1999","55","7","1072","1075","10.1107/S0108270199004333","","","0.71073","MoKα","","","0.028","","","0.037","","","","","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008671","17.0422","0.0003","13.5414","0.0002","13.1573","0.0002","90","","109.06","0.001","90","","2869.92","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Benzylpiperidin-1-yl)glyoxal doixime","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C112 H152 N24 O16 -","8","2","FR1184","Sema Öztürk; Şamil Işık; Mustafa Macit; Hoong-Kun Fun","1-(4-Benzylpiperidin-1-yl)glyoxal dioxime","Acta Crystallographica Section C","1999","55","7","1132","1134","10.1107/S0108270199004242","","","0.71073","MoKα","","0.059","0.044","","","","0.122","","","","","","1.028","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008672","7.691","0.001","9.1327","0.0008","10.982","0.001","75.815","0.008","71.109","0.008","89.304","0.01","705.67","0.14","296","","296","","","","","","","","","3","P -1","-P 1","2","2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxaldehyde","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","FR1197","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde","Acta Crystallographica Section C","1999","55","7","1176","1179","10.1107/S010827019900445X","","","0.71073","MoKα","","","0.047","","","0.08","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008673","7.547","0.002","8.035","0.001","10.24","0.001","77.78","0.01","86.62","0.01","65.46","0.01","551.77","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","quinolinium-4-carboxylate trihydrate","","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C20 H26 N2 O10 -","2","1","FR1203","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in quinolinium-4-carboxylate trihydrate","Acta Crystallographica Section C","1999","55","7","1192","1195","10.1107/S0108270199004849","","","0.71073","MoKα","","","0.049","","","","0.078","","","","","","1.27","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008674","8.376","0.001","9.7236","0.0009","12.325","0.001","90","","96.9","0.01","90","","996.54","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(isopropylthio)benzoic acid","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","FR1205","Gerkin, Roger E.","2-(Isopropylthio)benzoic acid","Acta Crystallographica Section C","1999","55","7","1190","1192","10.1107/S0108270199005582","","","0.71073","MoKα","","","0.046","","","","0.068","","","","","","1.66","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008675","11.568","0.001","14.356","0.002","16.243","0.001","90","","98.3","0.01","90","","2669.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV)","tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV)","","- C13 H30 I4 N2 S2 Te -","- C13 H30 I4 N2 S2 Te -","- C52 H120 I16 N8 S8 Te4 -","4","1","GD1007","R. Krishna Kumar; G. Aravamudan; Kandasamy Sivakumar; Hoong-Kun Fun","Tetraethylammonium (<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tetraiodotellurate(IV)","Acta Crystallographica Section C","1999","55","7","1121","1123","10.1107/S0108270199003261","","","0.71073","MoKα","","0.059","0.037","","","","0.096","","","","","","0.934","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008676","17","0.002","14.369","0.002","13.485","0.002","90","","91.32","0.01","90","","3293.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni(t-salpd)","","","- C18 H18 N2 Ni O0.5 S2 -","- C18 H18 N2 Ni O0.5 S2 -","- C144 H144 N16 Ni8 O4 S16 -","8","2","GD1011","Gomes, Ligia; Pereira, Eulalia; de Castro, Baltazar","A nickel complex with a tetradentate N~2~S~2~ Schiff base ligand","Acta Crystallographica Section C","1999","55","7","1061","1063","10.1107/S0108270199004163","","","0.71073","MoKα","","0.067","0.043","","0.121","0.099","","","","1.215","1.217","1.217","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008677","9.968","0.003","4.475","0.002","14.906","0.002","90","","93.52","0.02","90","","663.7","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C20 H32 N8 O12 -","4","1","GD1019","Okabe, Nobuo; Hayashi,Tomomi","Imidazole-4-acetic acid monohydrate","Acta Crystallographica Section C","1999","55","7","1142","1144","10.1107/S0108270199004023","","","0.71069","MoKα","","","0.072","","","","0.112","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008678","15.5486","0.001","7.7295","0.0005","25.647","0.003","90","","96.005","0.006","90","","3065.4","0.5","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Di-2-(pyrrolyl)methylferrocene","Di-2-(pyrrolyl)methylferrocene","","- C19 H18 Fe N2 -","- C19 H18 Fe N2 -","- C152 H144 Fe8 N16 -","8","2","GD1024","Gallagher, John F.; Moriarty, Elena","Intermolecular (pyrrole)N—H···π(pyrrole) interactions in bis(2-pyrrolyl)methylferrocene, an organometallic porphyrin precursor","Acta Crystallographica Section C","1999","55","7","1079","1082","10.1107/S0108270199003625","","","0.7107","MoKα","","0.1019","0.0405","","","","0.0764","","","","","","0.932","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008679","6.842","0.002","12.156","0.003","14.184","0.003","90","","92.32","0.03","90","","1178.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","GS1022","Ján Lokaj; Viktor Kettmann; Vladimír Macháček; Aleš Halama","6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile","Acta Crystallographica Section C","1999","55","7","1101","1103","10.1107/S0108270199002772","","","0.71073","MoKα","","0.108","0.047","","0.122","0.094","","","","0.908","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008680","8.067","0.003","9.699","0.004","12.191","0.004","90","","100.19","0.03","90","","938.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6,7,8,8a,9-hexahydrothieno[2,3-f]indolizine-6,9-dione","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","1","GS1027","Ján Lokaj; Viktor Kettmann; Stephan Marchalin","4,6,7,8,8a,9-Hexahydrothieno[3,2-<i>f</i>]indolizine-6,9-dione","Acta Crystallographica Section C","1999","55","7","1103","1105","10.1107/S0108270199001055","","","0.71073","MoKα","","0.088","0.048","","0.134","0.091","","","","0.968","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008681","6.6557","0.0008","20.988","0.003","9.5188","0.0015","90","","95.473","0.014","90","","1323.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Iodo-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C10 H12 I N3 O2 S -","- C10 H12 I N3 O2 S -","- C40 H48 I4 N12 O8 S4 -","4","1","GS1034","Dupont, Léon; Pirotte, Bernard; de Tullio, Pascal","7-Iodo-3-isopropylamino-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","7","1152","1154","10.1107/S0108270199000669","","","1.5418","CuKα","","0.0864","0.0512","","","","0.1406","","","","","","0.926","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008682","8.5295","0.0004","11.4017","0.0005","11.5115","0.0005","85.406","0.001","72.81","0.001","80.316","0.001","1053.71","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,2-Di(2-methoxyphenyl)-4-methyl[2H]benzo[h]chromene","","- C28 H24 O3 -","- C28 H24 O3 -","- C56 H48 O6 -","2","1","HA1251","Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T.Ramakrishnan","2,2-Bis(2-methoxyphenyl)-4-methyl-2<i>H</i>-benzo[<i>h</i>]chromene","Acta Crystallographica Section C","1999","55","7","1123","1125","10.1107/S0108270199001845","","","0.71073","MoKα","","0.068","0.048","","","","0.141","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008683","6.421","0.0002","16.6897","0.0003","11.7575","0.0003","90","","98.738","0.001","90","","1245.36","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9a-propargyl-1,2,3,10-tetrahydrofluorene-3,9-dione","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","HA1252","Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan; Kamaraj Sriraghavan","9a-Propargyl-1,2,3,9-tetrahydrofluorene-3,9-dione","Acta Crystallographica Section C","1999","55","7","1135","1136","10.1107/S0108270199001857","","","0.71073","MoKα","","0.082","0.056","","","","0.135","","","","","","1.119","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008684","22.8032","0.001","7.639","0.002","16.986","0.002","90","","106.29","0.01","90","","2840.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Diphenylguanidinium dihydrogen phosphate","","- C13 H16 N3 O4 P -","- C13 H16 N3 O4 P -","- C104 H128 N24 O32 P8 -","8","1","HA1254","Pereira Silva, P. S.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","<i>N</i>,<i>N</i>'-Diphenylguanidinium dihydrogen phosphate","Acta Crystallographica Section C","1999","55","7","1096","1099","10.1107/S0108270199004084","","","0.71073","MoKα","","0.042","0.027","","","","0.08","","","","","","1.035","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008685","7.887","0.009","8.358","0.004","13.98","0.01","90","0.06","103.49","","90","","896.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(acetato-O)bis(2-amino-6-methylpyridine-N)copper(II)","","- C16 H22 Cu N4 O4 -","- C16 H22 Cu N4 O4 -","- C32 H44 Cu2 N8 O8 -","2","0.5","HA1255","Lah, Nina; Golič, Ljubo; Šegedin, Primož; Leban, Ivan","<i>trans</i>-Bis(acetato-<i>O</i>)bis(2-amino-6-methylpyridine-<i>N</i>)copper(II)","Acta Crystallographica Section C","1999","55","7","1056","1058","10.1107/S0108270199004345","","","0.71073","MoKα","","0.073","0.034","","","","0.086","","","","","","1.035","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008686","11.507","0.002","15.225","0.005","24.573","0.009","90","","90","","90","","4305","2","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25 hydrate","","- C8 H17.5 Cl N2 O2.25 -","- C8 H17.5 Cl N2 O2.25 -","- C128 H280 Cl16 N32 O36 -","16","4","JZ1343","Pai Fondekar, Kamalesh; Volk, Franz-Josef; Weckert, Edgar; Frahm, August W.","(1<i>S</i>,2<i>R</i>)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25-hydrate","Acta Crystallographica Section C","1999","55","7","1167","1170","10.1107/S0108270199003522","","","0.71069","MoKα","","0.025","0.024","","","","0.063","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008687","16.185","0.007","9.11","0.003","17.535","0.008","90","","116.85","0.02","90","","2306.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","pentacarbonyl-cyclopentadiene-(μ-dicylclohexylphosphanido)manganese-rhodium","","- C22 H27 Mn O5 P Rh -","- C22 H27 Mn O5 P Rh -","- C88 H108 Mn4 O20 P4 Rh4 -","4","1","JZ1346","Flörke, Ulrich; Haupt, Hans-Jürgen","Pentacarbonyl-1κ^4^<i>C</i>,2κ<i>C</i>-[2(η^5^)-cyclopentadienyl]-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>-manganeserhodium(<i>Mn</i>—<i>Rh</i>)","Acta Crystallographica Section C","1999","55","7","1051","1052","10.1107/S0108270199004175","","","0.71073","MoKα","","0.094","0.047","","0.1","","0.083","","","1.025","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008688","13.73","0.005","11.334","0.003","13.848","0.005","90","","109.15","0.02","90","","2035.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tripropargylammonium chloride","","","- C9 H10 Cl N -","- C9 H10 Cl N -","- C72 H80 Cl8 N8 -","8","2","","Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan","Tris(prop-2-ynyl)ammonium chloride","Acta Crystallographica Section C","1999","55","","1156","1168","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008689","10.516","0.007","11.484","0.006","11.705","0.007","113.89","0.04","112.11","0.04","95.83","0.04","1142.3","1.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H70 Fe2 Na2 O8 S6 -","- C24 H70 Fe2 Na2 O8 S6 -","- C24 H70 Fe2 Na2 O8 S6 -","1","0.5","KA1304","Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel","Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)]","Acta Crystallographica Section C","1999","55","7","1084","1087","10.1107/S0108270199003704","","","0.71073","MoKα","","","0.0451","","","","0.1201","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008690","10.322","0.008","10.482","0.007","13.259","0.008","97.64","0.005","103.98","0.05","115.43","0.005","1210.5","1.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H74 Fe2 N2 Se6 -","- C38 H74 Fe2 N2 Se6 -","- C38 H74 Fe2 N2 Se6 -","1","0.5","KA1304","Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel","Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)]","Acta Crystallographica Section C","1999","55","7","1084","1087","10.1107/S0108270199003704","","","0.71073","MoKα","","","0.0341","","","","0.0827","","","","1.016","1.016","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008691","11.356","0.001","9.843","0.001","14.452","0.002","90","","91.56","0.01","90","","1614.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2- spirocyclohexane","","- C17 H21 Cl2 N O -","- C17 H21 Cl2 N O -","- C68 H84 Cl8 N4 O4 -","4","1","KA1310","Henao-Martínez, José Antonio; Palma, Alirio R.; Kouznetsov, Vladimir V.; Aguirre-Hernández, Gerardo; Fernando-Ortega, Chicote; Soriano-García, Manuel","6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2-spirocyclohexane","Acta Crystallographica Section C","1999","55","7","1181","1183","10.1107/S0108270199003376","","","0.71073","MoKα","","0.109","0.053","","0.177","0.133","","","","1.157","1.257","1.257","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008692","9.485","0.0013","11.769","0.002","14.596","0.002","104.889","0.012","96.663","0.012","90.451","0.009","1562.8","0.4","135","","","","","","","","","","","4","P -1","-P 1","2","","(±)-(3'aα,4'β,6'aα)-1',3',3'a,6'a-Tetrahydro-5,5,N,N- tetramethyl-spiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'- acetamide","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C68 H108 N4 O12 -","4","2","KA1316","Jan W. Bats; Öhlinger, Stefan H.; Mulzer, Johann","(+/-)-(3'aα,4'α,6'aα)-3',3'a,4',6'a-Tetrahydro-5,5,<i>N</i>,<i>N</i>-tetramethylspiro[1,3-dioxane-2,2'(1'<i>H</i>)-pentalene]-4'-acetamide, a triclinic crystal structure with local monoclinic pseudosymmetry","Acta Crystallographica Section C","1999","55","7","1158","1160","10.1107/S0108270199003765","","","0.71073","MoKα","","","0.056","","","0.052","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008693","9.2544","0.0001","14.5543","0.0004","9.6994","0.0002","90","","105.435","0.001","90","","1259.31","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(4-methylphenyl)-3-phenyl-4H-1,2,4-triazole","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","LN1079","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","4-(4-Methylphenyl)-3-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1999","55","7","1136","1138","10.1107/S0108270199002693","","","0.71073","MoKα","","0.074","0.046","","","","0.12","","","","","","1.043","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008694","11.944","0.0002","16.541","0.0003","24.4068","0.0004","71.432","0.001","78.541","0.001","74.63","0.001","4372.89","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trimethyl (5SR,6SR)-1,3-dichloro-8-(diethylamino)-5,6-dihydro-5- hydroxyisoquinoline-5,6,7-tricarboxylate","","- C19 H22 Cl2 N2 O7 -","- C19 H22 Cl2 N2 O7 -","- C152 H176 Cl16 N16 O56 -","8","4","LN1080","Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","Trimethyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxyisoquinoline-5,6,7-tricarboxylate","Acta Crystallographica Section C","1999","55","7","1140","1142","10.1107/S010827019900311X","","","0.71073","MoKα","","0.121","0.055","","","","0.168","","","","","","1.006","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008695","11.7954","0.0005","7.6537","0.0003","46.732","0.002","90","","90","","90","","4218.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2RS,5RS)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","","- C25 H28 O3 -","- C25 H28 O3 -","- C200 H224 O24 -","8","1","LN1083","H. Surya Prakash Rao; S. P. Senthilkumar; Kandasamy Chinnakali; Hoong-Kun Fun","(2<i>RS</i>,5<i>RS</i>)-2,5-Bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","Acta Crystallographica Section C","1999","55","7","1130","1132","10.1107/S0108270199004151","","","0.71073","MoKα","","0.107","0.068","","","","0.148","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008696","11.67","0.003","8.538","0.002","34.208","0.01","90","","92.58","0.02","90","","3405","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-(2,6-dichloroanilino)phenyl]acetate magnesium","","- C28 H36 Cl4 Mg N2 O12 -","- C28 H36 Cl4 Mg N2 O12 -","- C112 H144 Cl16 Mg4 N8 O48 -","4","1","NA1405","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","A hydrated diclofenac salt of the hexaaquamagnesium ion","Acta Crystallographica Section C","1999","55","7","1054","1056","10.1107/S0108270199004096","","","0.71069","MoKα","","0.207","0.047","","","","0.158","","","","","","0.931","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008697","5.474","0.003","5.51","0.003","36.15","0.01","90","0.009","90","0.009","90","0.009","1090.3","0.9","293","","293","","","","","","","","","4","B b 21 m","B -2 -2b","36","","dicalcium disodium tetraniobium tridecaoxide","","- Ca2 Na2 Nb4 O13 -","- Ca2.01 Na1.99 Nb4 O13 -","- Ca8.04 Na7.96 Nb16 O52 -","4","0.5","OA1080","Chiba, Koji; Ishizawa, Nobuo; Oishi, Shuji","A Ruddlesden‒Popper-type layered perovskite, Na~2~Ca~2~Nb~4~O~13~","Acta Crystallographica Section C","1999","55","7","1041","1044","10.1107/S0108270199001134","","","0.7107","MoKα","","0.044","0.044","","0.026","0.026","","","","1.993","1.993","1.993","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2008698","9.563","0.001","9.657","0.001","6.935","0.002","100.89","0.02","102.54","0.02","90.26","0.01","613.2","0.2","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl2 N O5 -","- C11 H9 Cl2 N O5 -","- C22 H18 Cl4 N2 O10 -","2","1","OA1082","Ishida, Hiroyuki; Kashino, Setsuo","Pyridinium and 1,2-diazinium salts of chloranilic acid","Acta Crystallographica Section C","1999","55","7","1149","1152","10.1107/S0108270199003777","","","0.71073","MoKα","","0.08","0.055","","0.058","","0.049","","","1.33","","","1.33","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008699","3.799","0.001","20.292","0.005","9.675","0.002","90","","99.69","0.02","90","","735.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OA1082","Ishida, Hiroyuki; Kashino, Setsuo","Pyridinium and 1,2-diazinium salts of chloranilic acid","Acta Crystallographica Section C","1999","55","7","1149","1152","10.1107/S0108270199003777","","","0.71073","MoKα","","0.06","0.048","","0.078","","0.061","","","1.55","","","1.55","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008700","10.796","0.003","7.755","0.002","19.315","0.002","90","","90.8","0.01","90","","1617","0.6","297","","273.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","exo-[(RS,SR)-N,N'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV)","","","- C18 H18 N2 O3 V -","- C18 H18 N2 O3 V -","- C72 H72 N8 O12 V4 -","4","1","OA1084","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>exo</i>-[(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV)","Acta Crystallographica Section C","1999","55","7","1082","1084","10.1107/S0108270199004187","","","0.71073","MoKα","","0.061","0.036","","","","0.064","","","","","","1.262","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008701","16.014","0.002","16.097","0.001","9.7547","0.0007","95.827","0.006","104.757","0.007","84.81","0.008","2413.6","0.4","248.2","","248","","","","","","","","","3","P -1","-P 1","2","2,2,8,8-tetramethoxy-1a,9-bis(methylacrylato)- 1,4-etheno-octahydronaphthalene-6-ene-3,7-dione","dimethyl 8,8-dimethoxy-7-oxo-1,4-(1,1-dimethoxy-2-oxoethano)- 1,4,4a,7,8,8a-hexahydronaphthalene-2,4a-diyldiacrylate","","- C24 H28 O10 -","- C24 H27.5 O10 -","- C96 H110 O40 -","4","2","OA1086","Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","An asatone-type neolignan and its photocage product","Acta Crystallographica Section C","1999","55","7","1144","1147","10.1107/S0108270199004205","","","1.54184","CuKα","","","0.05","","","","0.102","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008702","15.356","0.003","8.659","0.003","17.271","0.004","90","","94.31","0.02","90","","2290","1.1","248","","248","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dimethyl 6,6,12,12-tetramethoxy-5,11-dioxotetracyclo[6.2.2.0^3,10^.0^4,9^] dodecane-2,9-diyldiacrylate","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","OA1086","Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","An asatone-type neolignan and its photocage product","Acta Crystallographica Section C","1999","55","7","1144","1147","10.1107/S0108270199004205","","","1.54184","CuKα","","","0.063","","","","0.122","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008703","10.1673","0.0001","10.1932","0.0002","15.4592","0.0002","90","","102.048","0.001","90","","1566.86","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","deoxycholic acid, tris(hydroxymethyl) amino methane, water","tris(hydroxymethyl)methyl ammonium 3α,12α-dihydroxy-5β-cholan-24-oate trihydrate","","- C28 H57 N O10 -","- C28 H57 N O10 -","- C56 H114 N2 O20 -","2","1","OS1052","Tusvik, Per Helge; Mostad, Arvid; Dalhus, Bjørn; Rosenqvist, Einar","A 1:1 complex between deoxycholate and tris(hydroxymethyl)methylammonium","Acta Crystallographica Section C","1999","55","7","1113","1115","10.1107/S0108270199004370","","","0.71073","MoKα","","0.042","0.035","","0.092","0.084","","","","1.057","1.04","1.04","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008704","9.9166","0.0002","4.7247","0.0001","15.3292","0.0003","90","","102.349","0.001","90","","701.6","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Norvaline:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0567","0.0448","","0.1271","0.1161","","","","1.049","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008705","9.8756","0.0002","4.7029","0.0001","16.4192","0.0003","90","","107.328","0.0007","90","","727.96","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Methionine:D-Norleucine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.028","0.0254","","0.0697","0.0682","","","","1.059","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008706","29.5751","0.0004","4.7386","0.0001","9.9402","0.0001","90","","102.711","0.0008","90","","1358.92","0.04","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Valine:D-Norleucine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C44 H96 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0496","0.038","","0.1057","0.0951","","","","1.052","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008707","31.4433","0.0004","4.7622","0.0001","9.9363","0.0002","90","","100.838","0.0004","90","","1461.32","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-alloIsoleucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C48 H104 N8 O16 -","4","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.0485","0.0394","","0.1052","0.098","","","","1.075","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008708","5.1778","0.0001","27.8078","0.0005","5.3995","0.0001","90","","112.303","0.001","90","","719.28","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Leucine:D-Norleucine","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","1","OS1053","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series","Acta Crystallographica Section C","1999","55","7","1105","1112","10.1107/S0108270199003649","","","0.71073","MoKα","","0.067","0.0587","","0.1354","0.1308","","","","1.192","1.22","1.22","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008709","15.423","0.002","18.571","0.004","5.8691","0.0008","90","","90","","90","","1681","0.5","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,1-di(4-methoxy phenyl)-3,3-dimethyl-2-butanone","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","0.5","QA0119","Srinivasan S. Kuduva; Amy K. Katz; H. L. Carrell; Gautam R. Desiraju","1,1-Bis(4-methoxyphenyl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section C","1999","55","7","IUC9900073","","10.1107/S0108270199099230","","","0.71073","MoKα","","0.113","0.059","","","","0.177","","","","","","0.905","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008710","5.1387","0.0002","22.5026","0.001","10.141","0.0004","90","","101.69","","90","","1148.32","0.08","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-dibromophthalic acid monoethylester","","- C10 H8 Br2 O4 -","- C10 H8 Br2 O4 -","- C40 H32 Br8 O16 -","4","1","QA0129","Britton, Doyle","Ethyl hydrogen 4,5-dibromophthalate","Acta Crystallographica Section C","1999","55","7","IUC9900071","","10.1107/S0108270199099229","","","0.71073","MoKα","","0.046","0.035","","0.078","","0.074","","","1.095","","","1.132","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2008711","6.7579","0.0012","6.8393","0.001","11.0376","0.0017","90","","101.307","0.014","90","","500.25","0.14","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1'-deoxy-1'-(3-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C22 H26 F2 O8 -","2","1","QA0131","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(3-fluorophenyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900070","","10.1107/S0108270199099205","","","0.71073","MoKα","","0.038","0.035","","","","0.091","","","","","","1.44","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008712","7.5544","0.0017","8.5939","0.0012","14.489","0.002","77.136","0.011","86.8","0.015","88.879","0.016","915.6","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","2","QA0133","Kennedy, Alan R.; Khalaf, Abedawn I.; Pitt, Andrew R.; Scobie, Martin; Suckling, Colin J.; Urwin, John; Waigh, Roger D.; Young, Stephen C.","Methyl 2-amino-4-(methoxymethyl)thiazole-5-carboxylate","Acta Crystallographica Section C","1999","55","7","IUC9900072","","10.1107/S0108270199099199","","","0.71069","MoKα","","0.068","0.035","","","","0.105","","","","","","1.022","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008713","11.938","0.008","24.421","0.005","7.8395","0.0012","90","","90","","90","","2285.5","1.6","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","QA0134","K. Vyas; K. Shashi Rekha; P. Rajender Kumar; S. Raju; M. R. Sarma; G. Om Reddy","A diketopiperazine derivative of quinapril","Acta Crystallographica Section C","1999","55","7","IUC9900077","","10.1107/S0108270199099187","","","1.5418","CuKα","","0.062","0.058","","0.077","","0.076","","","1.834","","","1.847","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008714","13.2435","0.0019","5.1116","0.0008","15.52","0.003","90","","102.2","0.013","90","","1026.9","0.3","133","2","133","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(2-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","QA0135","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(2-fluorophenyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1999","55","7","IUC9900069","","10.1107/S0108270199099217","","","0.71073","MoKα","","0.034","0.032","","","","0.09","","","","","","1.194","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008715","24.015","0.004","10.396","0.004","10.41","0.004","90","","91.48","0.02","90","","2598.1","1.5","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","QA0136","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate","Acta Crystallographica Section C","1999","55","7","IUC9900068","","10.1107/S0108270199099175","","","0.71073","MoKα","","","0.0536","","","","0.1118","","","","","","1.128","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008716","15.096","0.002","8.434","0.001","25.095","0.001","90","","105.02","0.01","90","","3085.9","0.6","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan- 13-one monomethanol solvate","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","QA0136","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate","Acta Crystallographica Section C","1999","55","7","IUC9900068","","10.1107/S0108270199099175","","","0.71073","MoKα","","","0.0495","","","","0.0915","","","","","","1.316","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008717","5.8094","0.0013","10.466","0.003","19.605","0.005","90","","90.998","0.019","90","","1191.8","0.5","130","2","130","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Biphenylene","","- C12 H8 -","- C12 H8 -","- C72 H48 -","6","1.5","QA0137","Boese, Roland; Bläser, Dieter; Latz, Rüdiger","Redetermination of biphenylene at 130K","Acta Crystallographica Section C","1999","55","7","IUC9900067","","10.1107/S0108270199099163","","","0.71073","MoKα","","0.064","0.052","","","","0.149","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008718","15.373","0.003","6.536","0.001","17.8","0.004","90","","100.61","0.01","90","","1757.9","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C88 H80 O16 -","8","2","QA0139","Söntgen, Olaf; Bolte, Michael","1,4,4a,5,8,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione","Acta Crystallographica Section C","1999","55","7","IUC9900076","","10.1107/S0108270199099151","","","0.71073","MoKα","","0.078","0.048","","","","0.12","","","","","","1.018","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008719","10.3746","0.0004","13.7857","0.0005","7.9098","0.0004","90","","96.637","0.002","90","","1123.69","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-cyano-2,6-dichlorophenylimino)imidazolidine","","- C10 H8 Cl2 N4 -","- C10 H8 Cl2 N4 -","- C40 H32 Cl8 N16 -","4","1","QB0091","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile","Acta Crystallographica Section C","1999","55","7","IUC9900066","","10.1107/S010827019909914X","","","0.71073","MoKα","","0.153","0.068","","","","0.158","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008720","9.8442","0.0013","18.997","0.003","10.9399","0.0012","90","","108.079","0.01","90","","1944.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-cyano-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C18 H20 Cl2 N4 O2 -","- C18 H20 Cl2 N4 O2 -","- C72 H80 Cl8 N16 O8 -","4","1","QB0091","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile","Acta Crystallographica Section C","1999","55","7","IUC9900066","","10.1107/S010827019909914X","","","0.71073","MoKα","","0.127","0.044","","","","0.077","","","","","","0.96","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008721","5.26","0.0007","5.26","0.0007","8.801","0.002","90","","90","","120","","210.88","0.06","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","potassium iron silicate","potassium iron silicate","","- Fe0.97 K0.97 O4 Si1.03 -","- Fe0.97 K0.97 O3.99999 Si1.03 -","- Fe1.94 K1.94 O7.99998 Si2.06 -","2","0.166667","QB0099","Robert Hammond; Jacques Barbier","Hexagonal β-KFeSiO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900075","","10.1107/S0108270199099242","","","0.56086","AgKα","","0.032","0.0189","","0.0563","0.0452","","","","0.982","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008722","18.749","0.003","18.749","0.003","8.684","0.002","90","","90","","120","","2643.7","0.9","293","2","293","2","","","","","","","","4","P 63","P 6c","173","potassium iron germanate","potassium iron germanium tetraoxide","","- Fe Ge K O4 -","- Fe Ge K O4 -","- Fe24 Ge24 K24 O96 -","24","4","QB0100","Robert Hammond; Jacques Barbier","Low-temperature KFeGeO~4~","Acta Crystallographica Section C","1999","55","7","IUC9900074","","10.1107/S0108270199099254","","","0.56086","AgKα","","0.055","0.041","","0.11","0.095","","","","0.939","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008723","17.862","0.001","17.862","0.001","17.862","0.001","90","","90","","90","","5698.9","0.6","295","","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","N,N',N''-Trimethyl-N,N',N''-tris(3-methylphenyl)-1,3,5- benzenetricarboxamide","","- C33 H33 N3 O3 -","- C33 H33 N3 O3 -","- C264 H264 N24 O24 -","8","0.333333","SK1189","Herbstein, Frank H.","<i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum","Acta Crystallographica Section C","1999","55","7","1196","","10.1107/S0108270198013924","","","1.5405","CuKα","","","0.067","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008724","15.556","0.0012","15.556","0.0012","15.556","0.0012","90","","90","","90","","3764.4","0.5","193","2","193","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)ruthenate(III)","","- C36 H24 N6 Na O12 Ru2 -","- C36 H24 N6 Na O12 Ru2 -","- C144 H96 N24 Na4 O48 Ru8 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.039","0.031","","","","0.063","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008725","15.515","0.002","15.515","0.002","15.515","0.002","90","","90","","90","","3734.7","0.8","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)rhodate(III)","","- C36 H24 N6 Na O12 Rh Ru -","- C36 H24 N6 Na O12 Rh Ru -","- C144 H96 N24 Na4 O48 Rh4 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.034","0.023","","","","0.065","","","","","","1.126","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008726","15.407","0.004","15.407","0.004","15.407","0.004","90","","90","","90","","3657.2","1.6","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)aluminate(III)","","- C36 H24 Al N6 Na O12 Ru -","- C36 H24 Al N6 Na O12 Ru -","- C144 H96 Al4 N24 Na4 O48 Ru4 -","4","0.333333","SK1212","Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.","Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations","Acta Crystallographica Section C","1999","55","7","1075","1079","10.1107/S0108270199003339","","","0.71073","MoKα","","0.099","0.041","","","","0.107","","","","","","1.145","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008727","6.36","0.001","9.059","0.002","13.224","0.002","90","","90.4","0.02","90","","761.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dipotassium tellurium trisulfide","","","- K2 S3 Te -","- K2 S3 Te -","- K8 S12 Te4 -","4","1","SK1244","Rumpf, Christian; Näther, Christian; Bensch, Wolfgang","K~2~TeS~3~","Acta Crystallographica Section C","1999","55","7","1046","1047","10.1107/S0108270198018265","","","0.71073","MoKα","","0.031","0.023","","0.061","0.057","","","","1.174","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008728","10.395","0.002","13.32","0.003","21.162","0.002","90","","100.414","0.009","90","","2881.9","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Diaquatetrachlorotetramethylditin] - [dichlorodimethyl(tris-2-pyridyl-1,3,5-triazine)tin] (1/2)","","- C22 H26 Cl4 N6 O Sn2 -","- C22 H26 Cl4 N6 O Sn2 -","- C88 H104 Cl16 N24 O4 Sn8 -","4","1","SK1251","Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng","Di-μ-chloro-bis(aquachlorodimethyltin)‒dichlorodimethyl[2,4,6-tris(2-pyridyl)-1,3,5-triazine]tin (1/2)","Acta Crystallographica Section C","1999","55","7","1058","1061","10.1107/S0108270199004928","","","0.71073","MoKα","","0.065","0.041","","","","0.088","","","","","","0.977","","","","has coordinates","198932","2020-10-21","18:00:00",""
"2008729","26.28","0.004","26.285","0.003","18.449","0.002","90","","102.696","0.01","90","","12432","3","136","2","136","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2,5-Diisopropylidene-3,4-bis-(2-methoxycarbonyl-2-methylpropoxycarbonyl)-hex- 3-enedioic acid bis(2-methoxycarbonyl-2-methylpropyl)ester","","- C38 H56 O16 -","- C38 H56 O16 -","- C456 H672 O192 -","12","6","SK1272","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Low-temperature phase of bis(2-methoxycarbonyl-2-methylpropyl) 2,5-diisopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)hex-3-enedioate, a crystal structure with six independent pseudo-related molecules","Acta Crystallographica Section C","1999","55","7","1183","1186","10.1107/S0108270199003078","","","0.71073","MoKα","","0.2369","0.078","","","","0.157","","","","","","1.011","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008730","7.5028","0.0003","17.3288","0.0006","26.1306","0.0009","90","","90","","90","","3397.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[h]coumarin","","- C20 H18 O3 S -","- C20 H18 O3 S -","- C160 H144 O24 S8 -","8","2","SK1273","Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","7","1125","1127","10.1107/S0108270199002814","","","0.71073","MoKα","","0.111","0.065","","","","0.158","","","","","","1.132","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008731","13.4416","0.0004","6.4787","0.0002","21.7352","0.0006","90","","104.065","0.001","90","","1836.05","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(8RS-5SR-7SR)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one","","- C23 H24 O3 -","- C23 H24 O3 -","- C92 H96 O12 -","4","1","SK1274","H. Surya Prakash Rao; K. Jayalakshmi; Kandasamy Chinnakali; Hoong-Kun Fun","(8<i>RS</i>,5<i>SR</i>,7<i>SR</i>)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one","Acta Crystallographica Section C","1999","55","7","1117","1119","10.1107/S0108270199002826","","","0.71073","MoKα","","0.095","0.054","","","","0.142","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008732","8.321","0.008","8.321","0.008","48.92","0.02","90","","90","","90","","3387","5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(R)-Spiro[(2R)-N-acetyl-2-phenyl-1,3-thiazolidine-5,3'-(3a'R,6a'S)- 5',6'-dimethyl-3a',6a'-dihydro-3H-furo[2,3-b]furan-2-one]","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","SK1275","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Barbosa, D. M.; Soares, M. I. L.; Pinho e Melo, T. M. V. D.; Rocha Gonsalves, A. M. d'A.","(<i>R</i>)-Spiro[(2<i>R</i>)-<i>N</i>-acetyl-2-phenyl-1,3-thiazolidine-4,3'-(3a'<i>R</i>,6a'<i>S</i>)-5',6a'-dimethyl-3a',-6a'-dihydro-3<i>H</i>-furo[2,3-<i>b</i>]furan-2-one]","Acta Crystallographica Section C","1999","55","7","1094","1096","10.1107/S010827019900308X","","","1.5418","CuKα","","0.0518","0.0444","","","","0.1212","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008733","14.752","0.005","23.919","0.008","12.505","0.006","90","","90","","90","","4412","3","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","3α,4β-Diacetoxy-17a-oxa-17a-homo-5α-androstan-17-one","","- C23 H34 O6 -","- C23 H34 O6 -","- C184 H272 O48 -","8","1","SK1276","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","17-Oxo-17a-oxa-17a-homo-5α-androstan-3α,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","7","1186","1188","10.1107/S0108270199002838","","","0.7093","MoKα","","0.1598","0.033","","","","0.09","","","","","","0.927","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008734","8.9148","0.0003","10.1052","0.0003","10.8606","0.0003","95.565","0.001","108.976","0.001","101.414","0.001","893.08","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl-(2R,4aR,8aR)-2-(4-methylbenzyl)-3-oxoperhydro-2-naphthalenecarboxylate","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","SK1279","S. Rajamathe; D. Sethumadhavan; H. Surya Prakash Rao; Kandasamy Chinnakali; Hoong-Kun Fun","Methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-methylbenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","7","1127","1128","10.1107/S0108270199003108","","","0.71073","MoKα","","0.066","0.049","","","","0.147","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008735","12.103","0.001","5.63","0.001","26.795","0.001","90","","93.655","0.006","90","","1822.1","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-N-Benzyl-2,3-dihydro-2-(2-methoxybenzylidine)-4H-1,4-benzoxazine","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","SK1280","Susim Maiti; Monika Mukherjee; Gopeswar Chaudhuri; Madeleine Helliwell; Nitya G. Kundu","(<i>Z</i>)-<i>N</i>-Benzyl-2,3-dihydro-2-(2-methoxybenzylidene)-4<i>H</i>-1,4-benzoxazine","Acta Crystallographica Section C","1999","55","7","1154","1156","10.1107/S0108270199003340","","","1.5418","CuKα","","0.06","0.046","","0.127","","0.12","","","1.015","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008736","18.0675","0.0009","7.7986","0.0004","9.2847","0.0004","90","","90","","90","","1308.23","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1H-fluoren-9-one","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","SK1281","Dipakranjan Mal; Nirmal Kumar Hazra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1<i>H</i>-fluoren-9-one","Acta Crystallographica Section C","1999","55","7","1129","1130","10.1107/S0108270199003352","","","0.71073","MoKα","","0.044","0.037","","","","0.098","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008737","12.8678","0.0005","11.4996","0.0004","10.0894","0.0003","90","","90","","90","","1492.97","0.09","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Copper(I) complex of 4-amino-5-oxo-3-thioxo-6-methyl-2,3,4,5-tetra-hydro- 1,2,4-triazine","","- C8 H12 Cl Cu N8 O2 S2 -","- C8 H12 Cl Cu N8 O2 S2 -","- C32 H48 Cl4 Cu4 N32 O8 S8 -","4","0.5","SK1282","Razak, Ibrahim Abdul; Chinnakali, Kandasamy; Fun, Hoong-Kun; Yang, Ping; Zeng, Wen-Ru; Xie, Fu-Xin; Tian, Yu-Peng; Zhang, Hao","A copper(I) complex of 4-amino-3-thioxo-6-methyl-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","1999","55","7","1092","1093","10.1107/S0108270199003893","","","0.71073","MoKα","","0.052","0.035","","","","0.08","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008738","15.1789","0.0006","15.8689","0.0006","9.2735","0.0003","90","","102.396","0.001","90","","2181.66","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl(5SR,6SR)-1,3-dichloro-8-(diethylamino)-5,6-dihydro-5-hydroxy-6- phenyl-7-nitro-5-isoquinolinecarboxylate","","- C21 H21 Cl2 N3 O5 -","- C21 H21 Cl2 N3 O5 -","- C84 H84 Cl8 N12 O20 -","4","1","SK1283","Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","Methyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxy-7-nitro-6-phenylisoquinoline-5-carboxylate","Acta Crystallographica Section C","1999","55","7","1138","1140","10.1107/S010827019900390X","","","0.71073","MoKα","","0.054","0.039","","","","0.108","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008739","7.596","0.007","27.69","0.02","7.276","0.011","93.117","0.009","91.114","0.011","82.374","0.008","1514","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tris(fluorene)-tetrakis(1,3,5-trinitrobenzene)","","- C31.5 H21 N6 O12 -","- C31.5 H21 N6 O12 -","- C63 H42 N12 O24 -","2","1","SX1080","Raúl A. Mariezcurrena; Silvia Russi; Alvaro W. Mombrú; Leopoldo Suescun; Helena Pardo; Osvaldo L. Tombesi; María A. Frontera","Mixed stacking and stoichiometry in a π-molecular complex between fluorene and 1,3,5-trinitrobenzene","Acta Crystallographica Section C","1999","55","7","1170","1173","10.1107/S0108270199003662","","","0.71069","MoKα","","0.0984","0.0505","","","","0.1838","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008740","8.1017","0.0012","22.918","0.004","8.9358","0.0011","90","","94.453","0.008","90","","1654.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(3,4-dimethoxyphenyl)-5a,6,8,9-tetrahydro-1H,7H- pyrano[4,3-b][1]benzopyran-1-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","SX1082","Robinson, Paul D.; Beatty, Alicia; Hua, Duy H.; Chen, Yi; Meyers, Cal Y.; Perchellet, Elisabeth M.; Ladesich, James B.; Perchellet, Jean-Pierre","Racemic 3-(3,4-dimethoxyphenyl)-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one, an active antitumor agent","Acta Crystallographica Section C","1999","55","7","1188","1190","10.1107/S0108270199003315","","","0.71073","MoKα","","0.073","0.054","","","","0.15","","","","","","1.056","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008741","26.413","0.004","9.4429","0.0008","14.2752","0.0012","90","","100.703","0.009","90","","3498.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Co Pd S4 -","- C38 H30 Co Pd S4 -","- C152 H120 Co4 Pd4 S16 -","4","0.5","TA1234","Sheu, Chou-Fu; Lee, Jung-Si","Charge-transfer salt of bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladate(1 ‒) with cobaltocenium, and neutral bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladium","Acta Crystallographica Section C","1999","55","7","1069","1072","10.1107/S0108270199004564","","","0.71073","MoKα","","0.058","0.039","","0.098","0.088","","","","1.072","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008742","5.9472","0.0006","11.2387","0.001","18.6239","0.0013","90","","91.659","0.007","90","","1244.28","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Pd S4 -","- C28 H20 Pd S4 -","- C56 H40 Pd2 S8 -","2","0.5","TA1234","Sheu, Chou-Fu; Lee, Jung-Si","Charge-transfer salt of bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladate(1 ‒) with cobaltocenium, and neutral bis(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato)palladium","Acta Crystallographica Section C","1999","55","7","1069","1072","10.1107/S0108270199004564","","","0.71073","MoKα","","0.029","0.023","","0.064","0.06","","","","1.052","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008743","6.5333","0.0002","7.9424","0.0004","10.2197","0.0004","90","","100.966","0.002","90","","520.62","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.054","0.044","","","","0.077","","","","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008744","6.5034","0.0002","7.9206","0.0003","10.1816","0.0004","90","","100.911","0.002","90","","514.98","0.03","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cobalt nitropentaammiacate hexafluorosilicon","","","- Co F6 H15 N6 O2 Si -","- Co F6 H15 N6 O2 Si -","- Co2 F12 H30 N12 O4 Si2 -","2","0.5","AV1028","Naumov, Dmitry Yu.; Kashcheeva, Natalia E.; Boldyreva, Elena V.; Howard, Judith A. K.","Pentaamminenitrocobalt(III) hexafluorosilicate(IV) at 293 and 150K","Acta Crystallographica Section C","1999","55","8","1205","1208","10.1107/S0108270199005764","","","0.71073","MoKα","","0.035","0.031","","","","0.063","","","","","","1.135","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008745","11.3231","0.0007","11.3446","0.0007","13.9047","0.0009","90","","98.676","0.001","90","","1765.7","0.19","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 Co N4 -","- C16 H16 Cl2 Co N4 -","- C64 H64 Cl8 Co4 N16 -","4","1","BK1432","Yongkui Shan; Mayra E. Cádiz; Pedro L. Sánchez; Songping D. Huang","Dichlorobis(1-methyl-1<i>H</i>-benzimidazole-<i>N</i>^3^)cobalt(II)","Acta Crystallographica Section C","1999","55","8","1262","1263","10.1107/S0108270199004904","","","0.7107","MoKα","","0.047","0.043","","0.076","","0.07","","","1.19","","","1.33","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008746","12.7274","0.0003","5.5573","0.0002","15.161","0.0003","90","","102.935","0.0012","90","","1045.13","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Neotame","[N-[N-(3,3-dimethylbutyl)-L-a-aspartyl]-L-phenylalanine 1-methyl ester]","","- C20 H32 N2 O6 -","- C20 H32 N2 O6 -","- C40 H64 N4 O12 -","2","1","BK1453","Wink, Donald J.; Schroeder, Stephen A.; Prakash, Indra; Lam, Kin-Chung; Rheingold, A. L.","Neotame, an alkylated dipeptide and high intensity sweetener","Acta Crystallographica Section C","1999","55","8","1365","1368","10.1107/S0108270199005284","","","0.71073","MoKα","","0.062","0.058","","","","0.182","","","","","","1.411","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008747","10.33","0.001","10.33","0.001","20.222","0.004","90","","90","","90","","2157.9","0.5","203","","203","","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrachlorotetra(2-propanol)uranium(IV)","","- C12 H32 Cl4 O4 U -","- C12 H32 Cl4 O4 U -","- C48 H128 Cl16 O16 U4 -","4","0.25","BK1458","Gordon, Pamela L.; Thompson, Julia A.; Watkin, John G.; Burns, Carol J.; Sauer, Nancy N.; Scott, Brian L.","Tetrachlorotetrakis(propan-2-ol)uranium(IV) and tetrachlorotetrakis(propan-2-ol)thorium(IV)","Acta Crystallographica Section C","1999","55","8","1275","1278","10.1107/S0108270199004898","","","0.71073","MoKα","","0.027","0.021","","","","0.051","","","","","","1.07","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008748","10.447","0.001","10.447","0.001","20.395","0.001","90","","90","","90","","2225.9","0.3","203","","203","","","","","","","","","5","I 41/a :2","-I 4ad","88","","tetrachlorotetra(2-proponol)thorium(IV)","","- C12 H32 Cl4 O4 Th -","- C12 H32 Cl4 O4 Th -","- C48 H128 Cl16 O16 Th4 -","4","0.25","BK1458","Gordon, Pamela L.; Thompson, Julia A.; Watkin, John G.; Burns, Carol J.; Sauer, Nancy N.; Scott, Brian L.","Tetrachlorotetrakis(propan-2-ol)uranium(IV) and tetrachlorotetrakis(propan-2-ol)thorium(IV)","Acta Crystallographica Section C","1999","55","8","1275","1278","10.1107/S0108270199004898","","","0.71073","MoKα","","0.03","0.021","","","","0.045","","","","","","1.18","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008749","10.036","0.002","18.669","0.004","6.717","0.0013","90","","98.62","0.03","90","","1244.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(2,2' bipyridine-N,N')(μ ~3~ -sulfito O:O:O) cadmium(II), dihydrate.","","- C10 H12 Cd N2 O5 S -","- C10 H12 Cd N2 O5 S -","- C40 H48 Cd4 N8 O20 S4 -","4","1","BK1460","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Helena Pardo","Poly[[[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-sulfito-<i>O</i>:<i>O</i>:<i>O</i>'] hydrate]","Acta Crystallographica Section C","1999","55","8","1278","1280","10.1107/S0108270199005296","","","0.71073","MoKα","","0.036","0.026","","","","0.075","","","","","","0.986","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008750","8.647","0.001","8.701","0.002","11.683","0.002","84.68","0.01","70.24","0.02","74.96","0.01","798.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 N6 O10 U -","- C22 H44 N6 O10 U -","- C22 H44 N6 O10 U -","1","0.5","BK1467","Zhengbai Cao; Tieliu Qi; Limin Zhu; De-Chun Zhang; Ronhua Zhou; Kai-Bei Yu","Bis(1,3-dibutylimidazolidin-2-one-<i>O</i>)bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)","Acta Crystallographica Section C","1999","55","8","1270","1272","10.1107/S0108270199004916","","","0.71073","MoKα","","0.028","0.027","","0.066","","0.061","","","0.995","","","1.003","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008751","7.066","0.003","14.723","0.008","18.219","0.006","90","","90","","90","","1895.4","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-diphenylguanidinium (+)-L-hydrogentartrate monohydrate","","- C17 H21 N3 O7 -","- C17 H21 N3 O7 -","- C68 H84 N12 O28 -","4","1","BM1310","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Belsley, M.","<i>N</i>,<i>N</i>'-Diphenylguanidinium hydrogen (+)-<small>L</small>-tartrate monohydrate","Acta Crystallographica Section C","1999","55","8","1287","1290","10.1107/S0108270199005119","","","0.71073","MoKα","","0.044","0.032","","","","0.084","","","","","","1.057","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008752","8.904","0.002","14.657","0.003","17.19","0.003","90","","92.266","0.005","90","","2241.6","0.8","40","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","μ-azido-[μ-4-(3-methyl-2-pyridylamino)-1-(3-methyl-2-pyridylimino)- 1,2-dihydrophthalazin-2-yl]bis[azidocopper(II)]","","- C20 H17 Cu2 N15 -","- C20 H17 Cu2 N15 -","- C80 H68 Cu8 N60 -","4","1","BM1313","Goeta, Andres E.; Thompson, Laurence K.; Sheppard, Christopher L.; Tandon, Santokh S.; Lehmann, Christian W.; Cosier, John; Webster, Craig; Howard, Judith A.K.","[Cu~2~{1,4-bis[(3-methyl-2-pyridyl)amino]phthalazine ‒H}(N~3~)~3~] at 40K","Acta Crystallographica Section C","1999","55","8","1243","1246","10.1107/S0108270199005648","","","0.71073","MoKα","","0.04","0.028","","0.069","0.063","","","","1.056","1.063","1.063","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008753","8.2739","0.0012","20.681","0.004","8.5913","0.0011","90","","104.937","0.012","90","","1420.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","N-(4-cyanophenyl)-carbazole","N-(4-cyanophenyl)-carbazole","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","BM1320","Satyen Saha; Anunay Samanta","The twisted structure of 9-(4-cyanophenyl)carbazole","Acta Crystallographica Section C","1999","55","8","1299","1300","10.1107/S0108270199005752","","","0.71073","MoKα","","0.077","0.043","","","","0.115","","","","","","1.046","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008754","10.39","0.002","14.394","0.003","7.884","0.002","90","","90","","90","","1179.1","0.4","143","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-Iodopyridine","","- C5 H4 I N -","- C5 H4 I N -","- C40 H32 I8 N8 -","8","0.5","BM1321","Ahrens, Birte; Jones, Peter G.","4-Iodopyridine, a structure with very short nitrogen‒iodine contacts","Acta Crystallographica Section C","1999","55","8","1308","1310","10.1107/S0108270199005521","","","0.71073","MoKα","","0.0181","0.0154","","","","0.0343","","","","","","1.127","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008755","7.765","0.001","9.692","0.002","18.855","0.003","90","","90","","90","","1419","0.4","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6R,12R,14R)-(E,E)-12-Hydroxy-6,14-dimethyl-1,7-dioxa-3,9-cyclotetradecadiene- 2,8,11-trione","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","BM1328","Höller, Ulrich; Wright, Anthony D.; König, Gabriele M.; Jones, Peter G.","Colletoketol","Acta Crystallographica Section C","1999","55","8","1310","1313","10.1107/S0108270199005533","","","0.71073","MoKα","","0.0543","0.041","","","","0.103","","","","","","1.067","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008756","9.165","0.003","36.319","0.003","8.353","0.004","90","","90","","90","","2780.4","1.6","213","1","213","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3,4,5,6,7-hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C104 H136 N8 O40 S8 -","8","1","BM1336","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","2,3,4,5,6,7-Hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1375","1377","10.1107/S0108270199007489","","","0.71069","MoKα","","0.071","0.042","","","","0.115","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008757","5.6804","0.0015","11.117","0.002","8.7621","0.0008","90","","94.27","0.013","90","","551.78","0.18","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,4,5,6,7,8-hexahydro-10,10-dimethyl-1,2,8-thiadiazecin-9(10H)-one 1,1-dioxide","","- C9 H18 N2 O3 S -","- C9 H18 N2 O3 S -","- C18 H36 N4 O6 S2 -","2","1","BM1340","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","10,10-Dimethyl-1,2,8-thiadiazecan-9-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1378","1380","10.1107/S0108270199007611","","","0.71069","MoKα","","0.028","0.027","","","","0.072","","","","","","1.062","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008758","18.2534","0.0009","6.3271","0.0003","14.7428","0.0007","90","","90","","90","","1702.66","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- O20 P5 Ti3 Tl3 -","- O20 P5 Ti3 Tl3 -","- O80 P20 Ti12 Tl12 -","4","1","BR1228","Harrison, William T. A.","Thallium titanium phosphate, Tl~3~Ti~3~O(PO~4~)~3~(P~2~O~7~)","Acta Crystallographica Section C","1999","55","8","1200","1203","10.1107/S0108270199006721","","","0.71073","MoKα","","0.036","0.033","","","","0.087","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008759","10.2499","0.0009","10.2499","0.0009","6.0322","0.0008","90","","90","","120","","548.84","0.1","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","dysprosium copper germanium selenide","","- Cu Dy3 Ge Se7 -","- Cu Dy3 Ge Se7 -","- Cu2 Dy6 Ge2 Se14 -","2","0.333333","BR1239","Huang, Fu Qiang; Ibers, James A.","Dy~3~CuGeSe~7~","Acta Crystallographica Section C","1999","55","8","1210","1212","10.1107/S0108270199004606","","","0.71073","MoKα","","0.025","0.021","","","","0.053","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008760","9.205","0.003","4.4822","0.001","17.8738","0.0013","90","","90","","90","","737.4","0.3","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag Cl3 Rb2 -","- Ag Cl3 Rb2 -","- Ag4 Cl12 Rb8 -","4","0.5","BR1243","Hasselgren, Catrin; Jagner, Susan","Dirubidium <i>catena</i>-poly[dichloroargentate(I)-μ-chloro]","Acta Crystallographica Section C","1999","55","8","1208","1210","10.1107/S0108270199006277","","","0.71073","MoKα","","","0.035","","","","0.094","","","","","","1.046","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008761","4.7034","0.001","7.1735","0.0013","15.643","0.002","90","","90","","90","","527.79","0.16","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","trilithium tetrabarium tetraarsenide","","- As4 Ba3 Li4 -","- As4 Ba3 Li4 -","- As8 Ba6 Li8 -","2","0.125","BR1246","Monconduit, Laure; Belin, Claude","Lithium barium arsenide, Li~4~Ba~3~As~4~, containing isolated As^3-^ and As~2~^4-^ anions","Acta Crystallographica Section C","1999","55","8","1199","1200","10.1107/S0108270199006927","","","0.71069","MoKα","","0.042","0.038","","","","0.107","","","","","","1.217","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008762","25.119","0.003","11.104","0.004","7.57","0.003","90","","103.53","0.02","90","","2052.8","1.1","150","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-phenyl-1,2,3,5-dithiadiazolylium chloride","4-phenyl-1,2,3,5-dithiadiazolylium chloride","","- C7.5 H6 Cl2 N2 S2 -","- C7.5 H6 Cl2 N2 S2 -","- C60 H48 Cl16 N16 S16 -","8","1","CF1280","Smith, J. Nicholas B.; Rawson, Jeremy M.; Davies, John E.","A dithiadiazolylium chloride salt from the reaction of 4-phenyl-1,2,3,5-dithiadiazolyl with gold(I) chloride","Acta Crystallographica Section C","1999","55","8","1330","1332","10.1107/S0108270198018022","","","0.71073","MoKα","","0.068","0.044","","0.115","0.102","","","","1.082","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008763","8.783","0.001","13.629","0.002","15.411","0.002","90","","94.71","0.01","90","","1838.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(1,10-Phenanthroline)Nickel(II) Dinitrate Monohydrate","","- C12 H18 N4 Ni O11 -","- C12 H18 N4 Ni O11 -","- C48 H72 N16 Ni4 O44 -","4","1","CF1300","Namouchi Cherni, Saoussen; Driss, Ahmed; Jouini, Tahar","Tetraaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>)nickel(II) dinitrate monohydrate","Acta Crystallographica Section C","1999","55","8","1248","1250","10.1107/S0108270199004874","","","0.71069","MoKα","","0.0499","0.0352","","0.0877","0.08","","","","1.053","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008764","11.957","0.003","12.966","0.003","13.041","0.003","114.31","0.02","109.41","0.02","94.62","0.02","1681.3","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","3,7:7,8:7,11-tri(μ-thiobenzoate-S:O)-10-(triphenylphosphine-P)-8,9- μH-7-nickela-nido-undecaborane","","- C24 H31 B10 Ni O3 P S3 -","- C24 H31 B10 Ni O3 P S3 -","- C48 H62 B20 Ni2 O6 P2 S6 -","2","1","CF1304","Dou, Jian-Min; Hu,Chun-Hua; Yao, Hai-Jun; Jin, Ruo-Shui; Zheng, Pei-Ju","A three-ring <i>exo</i>-polyhedral-cyclized nickelaundecaborane cluster: [(CH~3~COS)~3~NiB~10~H~7~(PPh~3~)]","Acta Crystallographica Section C","1999","55","8","1226","1228","10.1107/S0108270199004667","","","0.71073","MoKα","","0.088","0.045","","","","0.149","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008765","12.235","0.004","13.719","0.007","16.974","0.007","90","","92.45","0.05","90","","2847","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-butyl-5-methyl-6-(1-oxopyridin-2-yl)-1-{[2'-(1H-tetrazol-5-yl)biphenyl- 4-yl]methyl}-1H-imidazo[5,4-b]pyridine methanol solvate","","- C31 H32 N8 O2 -","- C31 H32 N8 O2 -","- C124 H128 N32 O8 -","4","1","CF1305","Heo, Yong-Seok; Yi, Kyu Yang; Yoo, Sung Eun; Shin, Whanchul","A non-peptide angiotensin II receptor antagonist: 2-butyl-6-methyl-5-(1-oxopyrid-2-yl)-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine methanol solvate","Acta Crystallographica Section C","1999","55","8","1345","1347","10.1107/S0108270199004679","","","0.71073","MoKα","","0.1475","0.0691","","","","0.1937","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2008766","10.764","0.003","10.764","0.003","37.939","0.007","90","","90","","90","","4395.8","1.9","298.2","","298.2","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","binaphthalene","","","- C26 H22 O6 -","- C26 H20.5 O6 -","- C208 H164 O48 -","8","1","CF1308","Tachi, Yoshimitsu; Nakayama, Shinya; Tani, Fumito; Ueno, Go; Naruta, Yoshinori","(<i>S</i>)-2,2'-Bis(methoxymethoxy)[1,1'-binaphthyl]-3,3'-dicarbaldehyde","Acta Crystallographica Section C","1999","55","8","1351","1353","10.1107/S0108270199004680","","","1.5418","CuKα","","0.0676","0.0413","","","","0.1287","","","","","","1.424","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008767","14.623","0.007","9.729","0.005","19.228","0.01","90","","90","","90","","2736","2","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Sodium nitrilotriacetatomagnesium pentahydrate","Sodium nitriloacetatomagnesate(1-) pentahydrate","","- C6 H16 Mg N Na O11 -","- C6 H16 Mg N Na O11 -","- C48 H128 Mg8 N8 Na8 O88 -","8","1","CF1309","Kaneyoshi, Masami; Bond, Andrew; Jones, William","Sodium (nitrilotriacetato)magnesate pentahydrate","Acta Crystallographica Section C","1999","55","8","1260","1262","10.1107/S0108270199004886","","","1.54178","CuKα","","0.039","0.03","","","","0.077","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008768","8.3743","0.0004","9.6681","0.0007","10.7682","0.0009","100.195","0.006","104.465","0.005","105.408","0.005","785.71","0.1","293","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl3 O2 Te -","- C12 H15 Cl3 O2 Te -","- C24 H30 Cl6 O4 Te2 -","2","1","DA1059","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Chieffi, André; Zeni, Gilson; Caracelli, I.","Dichloro[(<i>E</i>)-2-chloro-1-(2-hydroxyprop-2-yl)vinyl](4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1999","55","8","1339","1342","10.1107/S0108270199004813","","","0.71073","MoKα","","0.031","0.027","","","","0.073","","","","","","1.121","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008769","9.0494","0.0012","17.475","0.002","10.5357","0.001","90","","106.359","0.008","90","","1598.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","[bis(cyclohexylamine)cadmium(II) bis{tricyanocadmate(II)}]-toluene (1/1)","","- C25 H34 Cd3 N8 -","- C25 H34 Cd3 N8 -","- C50 H68 Cd6 N16 -","2","0.5","DA1061","Kim, Chong-Hyeak; Lee, Sueg-Geun; Suh, Il-Hwan","A three-dimensional host framework with small tetragonal and large hexagonal channels","Acta Crystallographica Section C","1999","55","8","1238","1241","10.1107/S0108270199004825","","","0.71073","MoKα","","0.055","0.039","","0.105","0.097","","","","1.042","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008770","10.598","0.002","10.88","0.003","18.824","0.001","75.17","0.01","80.87","0.01","73.72","0.02","2005.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H30 Fe O5 P2 Pt2 Se -","- C41 H30 Fe O5 P2 Pt2 Se -","- C82 H60 Fe2 O10 P4 Pt4 Se2 -","2","1","DA1064","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep","A selenium-bridged mixed-metal cluster, (CO)~5~(PPh~3~)~2~FePt~2~(μ~3~-Se)","Acta Crystallographica Section C","1999","55","8","1250","1253","10.1107/S0108270199004837","","","0.71073","MoKα","","0.087","0.045","","","","0.11","","","","","","0.92","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008771","8.0204","0.0005","9.0398","0.001","22.5974","0.0015","90","","96.362","0.006","90","","1628.3","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dimer of 2-methylene-3,4-dihydo-1(2H)-naphthalenone","3,4-dihydronaphthyl[2,3-b]tetrahydropyran- 2-spiro-2'-3,4-dihydro-1(2H)-naphthalenone","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","DA1069","Quail, J. Wilson; Pandeya, Surendra N.; Dimmock, Jonathan R.","3,4,5,6-Tetrahydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-2-spiro-2'-1',2',3',4'-tetrahydronaphthalene-1'-one","Acta Crystallographica Section C","1999","55","8","1349","1351","10.1107/S0108270199005417","","","0.71073","MoKα","","0.047","0.038","","","","0.199","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008772","8.441","0.004","21.879","0.007","15.561","0.004","90","","95.72","0.03","90","","2859.5","1.8","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,2:1,3-di(μ-thioacetato-S:O)-1-(triphenylphosphine-P)-1-ruthena- closo-undecaborane","","- C22 H29 B10 O2 P Ru S2 -","- C22 H29 B10 O2 P Ru S2 -","- C88 H116 B40 O8 P4 Ru4 S8 -","4","1","FG1533","Nie, Yong; Hu, Chun-Hua; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","An <i>exo</i>-polyhedral bicyclic 11-vertex <i>closo</i>-ruthenaborane: [(PPh~3~)(CH~3~COS)~2~RuB~10~H~8~]","Acta Crystallographica Section C","1999","55","8","1224","1226","10.1107/S010827019900462X","","","0.71069","MoKα","","","0.047","","","","0.167","","","","","","1.138","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008773","12.248","0.002","14.377","0.001","19.15","0.002","90","","103.547","0.011","90","","3278.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Hydroxotriphenyltin 2,6-di(2-benzimidazolyl)pyridine hydrate (1:1:1)","","- C37 H31 N5 O2 Sn -","- C37 H31 N5 O2 Sn -","- C148 H124 N20 O8 Sn4 -","4","1","FG1540","Lo, Kong Mun; Kumar Das, V.G.; Ng, Seik Weng","Hydroxotriphenyltin 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine hydrate","Acta Crystallographica Section C","1999","55","8","1234","1236","10.1107/S0108270199004072","","","0.71073","MoKα","","0.088","0.052","","","","0.127","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008774","20.0869","0.0002","13.7875","0.0005","9.4187","0.0006","90","","102.672","0.002","90","","2544.95","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Butyl-5-hydroxy-4-iodo-hexahydro-pyrolo[1,2-c][1,3] oxazin-1-one","","- C11 H18 I N O3 -","- C11 H18 I N O3 -","- C88 H144 I8 N8 O24 -","8","2","FG1542","Batey, Robert A.; MacKay, D. Bruce; Lough, Alan J.","3-Butyl-5-hydroxy-4-iodohexahydropyrrolo[1,2-<i>c</i>][1,3]oxazin-1-one","Acta Crystallographica Section C","1999","55","8","1362","1363","10.1107/S0108270199004497","","","0.71073","MoKα","","0.0336","0.0249","","","","0.0624","","","","","","1.03","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008775","11.966","0.003","8.602","0.001","23.688","0.003","90","","101.09","0.01","90","","2392.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(±)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C104 H152 N8 O16 -","8","1","FG1543","Zwege, Daniel; Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+/-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane: dimeric and catemeric hydrogen bonding in two polymorphs of a propellanoid keto lactam","Acta Crystallographica Section C","1999","55","8","1370","1373","10.1107/S0108270199004485","","","0.71073","MoKα","","0.149","0.065","","","","0.162","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008776","11.135","0.002","7.626","0.002","13.58","0.002","90","","90.62","0.01","90","","1153.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","FG1543","Zwege, Daniel; Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+/-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane: dimeric and catemeric hydrogen bonding in two polymorphs of a propellanoid keto lactam","Acta Crystallographica Section C","1999","55","8","1370","1373","10.1107/S0108270199004485","","","0.71073","MoKα","","0.1","0.06","","","","0.151","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008777","12.6008","0.0011","11.349","0.003","15.634","0.002","90","","94.888","0.009","90","","2227.6","0.7","293","1","293","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquotrimethyltin(4-(4-chlorophenyl)-2-phenyl-5-thiazoleacetate)","Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetate-O]trimethyltin(IV)","","- C20 H22 Cl N O3 S Sn -","- C20 H22 Cl N O3 S Sn -","- C80 H88 Cl4 N4 O12 S4 Sn4 -","4","1","FG1550","Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Khokhar, M. Nawaz","Aqua[4-(4-chlorophenyl)-2-phenylthiazole-5-acetato-<i>O</i>]trimethyltin(IV)","Acta Crystallographica Section C","1999","55","8","1280","1282","10.1107/S0108270199005120","","","1.54178","CuKα","","0.055","0.043","","","","0.114","","","","","","1.025","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008778","7.581","0.001","8.663","0.001","11.475","0.001","90","","106.44","0.01","90","","722.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","DM08","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","FR1146","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Vasconcellos, Mario L. A. A.; Barreiros, Uendel G.","(1<i>R</i>,2<i>R</i>,3<i>R</i>,3'<i>R</i>,4<i>R</i>)-3-[(2-Furyl)hydroxymethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, a new camphor-based chiral auxiliary","Acta Crystallographica Section C","1999","55","8","1295","1297","10.1107/S0108270199000645","","","0.71073","MoKα","","0.11","0.052","","0.122","0.11","","","","0.905","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008779","10.1962","0.0002","10.1962","0.0002","21.0571","0.0007","90","","90","","90","","2189.15","0.09","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Dichloro-(tetrahydrogen-ethylenediamine-tetraacetate)-palladium(II) hexahydrate","","- C10 H28 Cl2 N2 O14 Pd -","- C10 H28 Cl2 N2 O14 Pd -","- C40 H112 Cl8 N8 O56 Pd4 -","4","0.5","FR1173","Xue-mei Luo; Xiao-hua Chen; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Long-gen Zhu","Dichloro(ethylenediaminetetraacetic acid)palladium(II) hexahydrate","Acta Crystallographica Section C","1999","55","8","1220","1222","10.1107/S0108270199005958","","","0.71073","MoKα","","0.039","0.032","","","","0.081","","","","","","1.085","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008780","9.6507","0.0002","14.277","0.0003","15.0369","0.0004","75.17","0.001","82.067","0.001","83.358","0.001","1976.65","0.08","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","Bis [bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(1,3-dithiol-2-thione-4,5-dithiolato)nickelate(II)]","","- C80 H60 N2 Ni2 P4 S14 -","- C80 H60 N2 Ni2 P4 S14 -","- C80 H60 N2 Ni2 P4 S14 -","1","0.5","FR1185","Geiser, Urs; Mercuri, Maria Laura; Parakka, James P.","Bis[bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)]","Acta Crystallographica Section C","1999","55","8","1253","1255","10.1107/S0108270199004692","","","0.71073","MoKα","","0.095","0.059","","","","0.122","","","","","","1.105","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008781","9.919","0.007","19.331","0.007","11.08","0.008","90","","96.53","0.06","90","","2111","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2S*,4S*,5R*,5'S*)-4-methyl-2-(3'-methyl-2'- isoxazolin-5'-yl)-5-phenyl-3-(toluene-4""- sulfonyl)oxazolidin","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C84 H96 N8 O16 S4 -","4","1","FR1188","Rochon, Fernande D.; Breau, Livain","(2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-4-Methyl-2-[(5<i>S</i>*)-3-methyl-4,5-dihydroisoxazol-5-yl]-5-phenyl-3-(toluene-4-sulfonyl)oxazolidine","Acta Crystallographica Section C","1999","55","8","1373","1375","10.1107/S0108270199005557","","","0.71073","MoKα","","0.191","0.066","","0.098","0.074","","","","1.037","1.265","1.265","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008782","6.955","0.0008","14.4941","0.0011","12.2793","0.0008","90","","101.523","0.007","90","","1212.88","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-N-(6-Bromocyclohex-2-enyl)pyridinium bromide","","- C11 H13 Br2 N -","- C11 H13 Br2 N -","- C44 H52 Br8 N4 -","4","1","FR1193","Han, Xinghua; Baker, Ronald J.; Masnovi, John","<i>trans</i>-(6-Bromo-2-cyclohexen-1-yl)pyridinium bromide","Acta Crystallographica Section C","1999","55","8","1360","1361","10.1107/S0108270199004709","","","0.7093","MolybdenumKα","","0.045","0.045","","0.041","","0.041","","","","","","1.78","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008783","7.1732","0.0017","21.285","0.006","12.28","0.003","90","","92.05","0.02","90","","1873.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[Aquo(1,10-phenanthroline)(L-prolinato)copper(II)] nitrate hydrate","","- C34 H40 Cu2 N8 O14 -","- C34 H40 Cu2 N8 O14 -","- C68 H80 Cu4 N16 O28 -","2","1","FR1195","Venkatraman, Ramaiyer; Zubkowski, Jeffrey D.; Valente, Edward J.","Aqua(1,10-phenanthroline)(<small>L</small>-prolinato)copper(II) nitrate monohydrate","Acta Crystallographica Section C","1999","55","8","1241","1243","10.1107/S0108270199005570","","","0.71073","MoKα","","0.075","0.042","","","","0.101","","","","","","0.744","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008784","5.6134","0.0001","9.9847","0.0003","21.5896","0.0002","90","","93.639","0.001","90","","1207.62","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-β-methyl-N-(2,5-dibromophenyl)propenamide","","- C11 H8 Br2 N2 O2 -","- C11 H8 Br2 N2 O2 -","- C44 H32 Br8 N8 O8 -","4","1","FR1196","Ghosh, Sutapa","α-Cyano-<i>N</i>-(2,5-dibromophenyl)-β-hydroxybut-2-enamide","Acta Crystallographica Section C","1999","55","8","1364","1365","10.1107/S0108270199005727","","","0.71073","MoKα","","0.0532","0.0402","","","","0.0996","","","","","","1.007","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008785","11.511","0.004","22.022","0.003","12.521","0.002","90","","107.71","0.02","90","","3023.6","1.3","294","","294.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Cl6 N10 Ni2 O16 -","- C48 H68 Cl6 N10 Ni2 O16 -","- C96 H136 Cl12 N20 Ni4 O32 -","2","0.5","FR1198","Bing Tong; Richard E. Norman; Shih-Chi Chang","Di-μ-chloro-bis{[tris(2-pyridylmethyl)amine-κ^4^<i>N</i>]nickel(II)} bis(triethylammonium) tetraperchlorate","Acta Crystallographica Section C","1999","55","8","1236","1238","10.1107/S010827019900596X","","","0.7107","MoKα","","0.097","0.045","","0.06","","0.054","","","1.672","","","1.96","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2008786","6.905","0.003","11.05","0.006","16.835","0.002","90","","90","","90","","1284.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","iodo(di-n-propyldithiocarbamato)selenium(II)","catena-μ-iodo-(di-n-propyldithiocarbamato)selenium(II)","","- C7 H14 I N S2 Se -","- C7 H14 I N S2 Se -","- C28 H56 I4 N4 S8 Se4 -","4","1","GD1008","S. Rajashree; G. Aravamudan; Kandasamy Sivakumar","The first mixed iodide‒dithiocarbamate complex of selenium(II): <i>catena</i>-poly[[(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')selenium(II)]-μ-iodo]","Acta Crystallographica Section C","1999","55","8","1320","1322","10.1107/S0108270199003996","","","0.71069","MoKα","","0.051","0.035","","","","0.094","","","","","","1.092","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008787","12.758","0.003","6.964","0.001","16.053","0.003","90","","90","","90","","1426.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1236","0.0585","","","","0.1804","","","","","","1.092","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008788","12.756","0.003","6.87","0.001","15.74","0.003","90","","90","","90","","1379.4","0.5","90","0.1","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(N-Methylnitramino)-pyridine 1-oxide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1045","0.0575","","","","0.1462","","","","","","1.153","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008789","7.9167","0.0007","22.1936","0.0016","9.9382","0.0011","90","","96.612","0.011","90","","1734.5","0.3","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Ferrocenoyl glycine benzyl ester","N-Ferrocenoyl glycine benzyl ester","","- C20 H19 Fe N O3 -","- C20 H19 Fe N O3 -","- C80 H76 Fe4 N4 O12 -","4","1","GD1028","Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.","Intramolecular C—H···O and intermolecular N—H···O and C—H···O interactions in <i>N</i>-ferrocenoylglycine benzyl ester, an effective dihydrogen phosphate anion sensing agent","Acta Crystallographica Section C","1999","55","8","1257","1260","10.1107/S010827019900520X","","","0.7107","MolybdenumKα","","0.0703","0.0427","","","","0.0851","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008790","7.338","0.001","8.6269","0.0005","8.877","0.001","80.98","0.01","84.62","0.01","72.65","0.01","529.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis(benzimidazole-N^3^)copper(II)-μ-suberato-O,O':O'',O''']","","- C22 H24 Cu N4 O4 -","- C22 H24 Cu N4 O4 -","- C22 H24 Cu N4 O4 -","1","0.5","JZ1349","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-suberato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] and <i>catena</i>-poly[[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-sebacato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section C","1999","55","8","1230","1234","10.1107/S0108270199005399","","","1.54178","CuKα","","0.0319","0.0317","","","","0.0876","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008791","6.85","0.004","9.071","0.003","11.208","0.004","74.68","0.03","74.46","0.03","71.13","0.03","622.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis(benzimidazole-N^3^)copper(II)-μ-sebacato-O,O':O'',O'''] Dihydrate","","- C24 H32 Cu N4 O6 -","- C24 H32 Cu N4 O6 -","- C24 H32 Cu N4 O6 -","1","0.5","JZ1349","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>catena</i>-Poly[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-suberato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] and <i>catena</i>-poly[[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-sebacato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]","Acta Crystallographica Section C","1999","55","8","1230","1234","10.1107/S0108270199005399","","","1.54178","CuKα","","0.0473","0.042","","","","0.115","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008792","5.2214","0.0001","13.1487","0.0002","13.4792","0.0002","119.075","0.001","91.46","0.001","90.094","0.001","808.43","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","4,6-Bis(benzyloxy)-1,3,5-triazin-2-amine","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C34 H32 N8 O4 -","2","1","JZ1354","Bolte, Michael; Sommer, Andrea; Noe, Christian Roland","4,6-Bis(benzyloxy)-1,3,5-triazin-2-ylamine","Acta Crystallographica Section C","1999","55","8","1304","1306","10.1107/S0108270199005971","","","0.71073","MoKα","","0.0522","0.0429","","0.1201","0.1114","0.1201","","","1.13","","","1.13","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008793","11.124","0.002","14.78","0.003","7.129","0.001","90","","93.17","0.03","90","","1170.3","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(4-Methylbenzoyl)benzoic acid","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","JZ1357","Degen, Alexander; Bolte, Michael","2-(p-Toluoyl)benzoic acid","Acta Crystallographica Section C","1999","55","8","1306","1308","10.1107/S0108270199006150","","","0.71073","MoKα","","0.134","0.058","","","","0.128","","","","","","1.032","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008794","5.0861","0.001","12.198","0.002","13.76","0.002","90","","96.07","0.015","90","","848.9","0.3","293","2","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","KA1296","Velikova, Velichka; Bakardjeva,Snejana; Angelova,Olyana","<i>N</i>-(2-Pyridinium)urea nitrate","Acta Crystallographica Section C","1999","55","8","1328","1330","10.1107/S0108270199000876","","","0.71073","MoKα","","0.0665","0.0475","","","","0.1338","","","","","","1.068","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008795","9.019","0.003","17.061","0.004","9.458","0.004","90","","93.9","0.04","90","","1452","0.9","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H40 Cl3 N O11 Pt S -","- C17 H40 Cl3 N O11 Pt S -","- C34 H80 Cl6 N2 O22 Pt2 S2 -","2","1","KA1320","Bruhn, Clemens; Gravenhorst, Olaf; Wagner, Christoph; Steinborn, Dirk","(<small>L</small>-2-Ammonio-4-methylsulfinylbutanoic acid-κ<i>S</i>)trichloroplatinum(II)‒18-crown-6‒water (1/1/2)","Acta Crystallographica Section C","1999","55","8","1255","1257","10.1107/S0108270199005132","","","0.71073","MoKα","","0.0369","0.0342","","0.0854","","0.0841","","","1.054","","","1.071","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2008796","9.4376","0.0007","13.168","0.002","10.035","0.002","90","","96.71","0.02","90","","1238.6","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","m-nitroglutethimide","3-(3'-nitrophenyl)-3-ethylpiperidine-2,6-dione","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","KA1321","Danilovski, Aleksandar; Vinković, Mladen; Filić, Darko","Nitro derivatives of glutethimide","Acta Crystallographica Section C","1999","55","8","1300","1304","10.1107/S0108270199005673","","","1.54178","CuKα","","0.0518","0.0388","","","","0.1114","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008797","8.5629","0.0018","8.8741","0.0015","10.594","0.002","114.483","0.008","108.831","0.008","92.235","0.008","679.3","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","o,p-dinitroglutethimide","3-(2',4'-dinitrophenyl)-3-ethylpiperidine-2,6-dione","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C26 H26 N6 O12 -","2","1","KA1321","Danilovski, Aleksandar; Vinković, Mladen; Filić, Darko","Nitro derivatives of glutethimide","Acta Crystallographica Section C","1999","55","8","1300","1304","10.1107/S0108270199005673","","","1.54178","CuKα","","0.0512","0.0392","","","","0.1141","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008798","6.804","0.0008","10.0373","0.001","18.682","0.002","90","","90","","90","","1275.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyisoguanosine","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C44 H64 N16 O20 -","4","1","KA1322","Seela, Frank; Wei, Changfu; Reuter, Hans; Kastner, Guido","7-Deaza-2'-deoxyisoguanosine adopts the form of an N1—H,2-keto tautomer","Acta Crystallographica Section C","1999","55","8","1335","1337","10.1107/S0108270199005685","","","0.71073","MoKα","","0.0553","0.0423","","","","0.1024","","","","","","1.078","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008799","8.1754","0.0009","8.2776","0.0009","25.696","0.004","84.509","0.011","84.279","0.012","89.941","0.009","1722.3","0.4","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","2-Aminobenzimidazolium Nitrate","","- C7 H8 N4 O3 -","- C7 H8 N4 O3 -","- C56 H64 N32 O24 -","8","4","KA1323","Bats, Jan W.; Gördes, Dirk; Schmalz, Hans-Günther","2-Aminobenzimidazolium nitrate at 152K, a triclinic crystal structure with pronounced local pseudo-symmetry","Acta Crystallographica Section C","1999","55","8","1325","1328","10.1107/S0108270199004710","","","0.71073","MoKα","","0.0571","0.0432","","","","0.1042","","","","","","1.675","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008800","9.0064","0.0014","10.8717","0.0011","17.585","0.002","90","","103.717","0.011","90","","1672.7","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 O2 P2 Pt -","- C42 H34 O2 P2 Pt -","- C84 H68 O4 P4 Pt2 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0391","0.0348","","0.0806","0.0797","","","","0.97","1.023","1.023","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008801","9.0177","0.0007","10.9977","0.0008","17.9351","0.0012","90","","102.093","0.002","90","","1739.2","0.2","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H34 P2 Pt S2 -","- C42 H34 P2 Pt S2 -","- C84 H68 P4 Pt2 S4 -","2","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.0192","0.0184","","0.0465","0.0456","","","","1.124","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008802","10.338","0.002","16.142","0.003","26.162","0.004","90","","93.952","0.01","90","","4355.4","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H77 O2 P2 Pt -","- C45 H77 O2 P2 Pt -","- C180 H308 O8 P8 Pt4 -","4","1","LN1077","Lesley, M.J. Gerald; Clegg, William; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Scott, Andrew J.; Starbuck, Jonathan","Three Pt^II^ catecholate and 1,2-dithiocatecholate complexes","Acta Crystallographica Section C","1999","55","8","1272","1275","10.1107/S0108270199005715","","","0.71073","MoKα","","0.1158","0.0558","","0.092","0.0767","","","","1.029","1.102","1.102","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008803","10.866","0.002","12.39","0.001","11.845","0.001","90","","101.2","0.01","90","","1564.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-{[2-(dimethoxythiophosphoryl)- 2-methylhydrazino]methylidene}-3,4-dihydro-2H-1-benzopyran-2,4-dione","","- C13 H15 N2 O5 P S -","- C13 H15 N2 O5 P S -","- C52 H60 N8 O20 P4 S4 -","4","1","NA1410","Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Małecka, Magdalena; Nawrot-Modranka, Jolanta","X-ray investigations of benzopyran derivatives substituted at position 3","Acta Crystallographica Section C","1999","55","8","1313","1315","10.1107/S0108270199004734","","","0.71073","MoKα","","0.093","0.038","","","","0.11","","","","","","0.943","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008804","7.666","0.003","15.521","0.002","7.47","0.002","101.53","0.02","115.5","0.03","91.91","0.03","778.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-{[2-(dimethoxythiophosphoryl)- 2-methylhydrazino]carbonyl}-3,4-dihydro-2H-1-benzopyran-2,4-dione","","- C13 H15 N2 O5 P S -","- C13 H15 N2 O5 P S -","- C26 H30 N4 O10 P2 S2 -","2","1","NA1410","Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Małecka, Magdalena; Nawrot-Modranka, Jolanta","X-ray investigations of benzopyran derivatives substituted at position 3","Acta Crystallographica Section C","1999","55","8","1313","1315","10.1107/S0108270199004734","","","0.71073","MoKα","","0.045","0.035","","","","0.119","","","","","","1.085","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008805","8.9162","0.0001","9.6764","0.0001","20.0766","0.0001","78.536","0.001","81.52","0.001","83.922","0.001","1673.78","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3- propanediylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}manganese(II) diperchlorate monohydrate","","- C28 H38 Cl2 Mn N4 O13 -","- C28 H38 Cl2 Mn N4 O13 -","- C56 H76 Cl4 Mn2 N8 O26 -","2","1","NA1412","R. Thirumurugan; S. Shanmuga Sundara Raj; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy","{4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-[1,3-propanediylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(II) diperchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1218","1220","10.1107/S0108270199005016","","","0.71073","MoKα","","0.073","0.064","","","","0.207","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008806","10.546","0.001","14.229","0.001","10.807","0.001","90","","99.75","0.01","90","","1598.3","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N' - Bis[2-hydroxy-3-morpholinomethyl)-5-methyl]benzyl ethylenediamino copper(II) perchlorate. dihydrate","","- C28 H45 Cl Cu N4 O10 -","- C28 H45 Cl Cu N4 O10 -","- C56 H90 Cl2 Cu2 N8 O20 -","2","1","NA1413","Shanmuga Sundara Raj, S.; Velmurugan, D.; Gunasekaran, K.; Fun, Hoong-Kun; Manonmani, J.; Kandaswamy, M.","{4,4'-Dimethyl-6'-morpholiniomethyl-6-mor-pholinomethyl-2,2'[1,2-ethanediylbis(iminomethylene)]diphenolato}copper(II) perchlorate dihydrate","Acta Crystallographica Section C","1999","55","8","1222","1224","10.1107/S0108270199005776","","","0.71073","MoKα","","0.03","0.028","","","","0.074","","","","","","1.017","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008807","8.4551","0.0002","8.9044","0.0002","10.7293","0.0003","91.142","0.001","107.437","0.001","113.035","0.001","700.5","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Benzoyl-N'-methyl-N'-phenyl thiourea","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C30 H28 N4 O2 S2 -","2","1","NA1414","S. Shanmuga Sundara Raj; K. Puviarasan; D. Velmurugan; G. Jayanthi; Hoong-Kun Fun","N—H···S hydrogen bonding in <i>N</i>-benzoyl-<i>N</i>'-methyl-<i>N</i>'-phenylthiourea and <i>N</i>-benzoyl-<i>N</i>'-(3,4-dimethylphenyl)thiourea","Acta Crystallographica Section C","1999","55","8","1318","1320","10.1107/S0108270199005788","","","0.71073","MoKα","","0.069","0.041","","","","0.104","","","","","","0.925","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008808","5.4664","0.0001","28.0208","0.0004","9.8585","0.0001","90","","94.262","0.001","90","","1505.88","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-N'-(3,4-dimethylphenyl)thiourea","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","NA1414","S. Shanmuga Sundara Raj; K. Puviarasan; D. Velmurugan; G. Jayanthi; Hoong-Kun Fun","N—H···S hydrogen bonding in <i>N</i>-benzoyl-<i>N</i>'-methyl-<i>N</i>'-phenylthiourea and <i>N</i>-benzoyl-<i>N</i>'-(3,4-dimethylphenyl)thiourea","Acta Crystallographica Section C","1999","55","8","1318","1320","10.1107/S0108270199005788","","","0.71073","MoKα","","0.077","0.053","","","","0.165","","","","","","1.056","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008809","7.498","0.004","9.666","0.005","28.04","0.02","90","","90","","90","","2032","2","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-8-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo [4,5,1-jk][1,4]benzodiazepinium-2(1H)-thione Bromide Methanol Solvate","","- C17 H25 Br Cl N3 O S -","- C17 H25 Br Cl N3 O S -","- C68 H100 Br4 Cl4 N12 O4 S4 -","4","1","NA1419","Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","(<i>S</i>)-8-Chloro-5-methyl-6-(3-methylbut-2-enyl)-2-thioxo-1<i>H</i>-4,5,6,7-tetrahydroimidazo[4,5,1-<i>jk</i>][1,4]benzodiazepinium bromide methanol solvate","Acta Crystallographica Section C","1999","55","8","1322","1325","10.1107/S0108270199005892","","","0.71073","MoKα","","0.082","0.046","","0.108","","0.108","","","1.052","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008810","10.78","0.003","11.004","0.003","12.108","0.002","90","","90","","90","","1436.3","0.6","298.2","","298.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","Tetrakis(methylamine)oxalatocobalt(III)","","","- C6 H20 Cl Co N4 O8 -","- C6 H20 Cl Co N4 O8 -","- C24 H80 Cl4 Co4 N16 O32 -","4","1","OA1068","Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi","Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1267","1270","10.1107/S0108270199005594","","","0.7107","MoKα","","","0.064","","","","0.048","","","","","","1.287","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008811","10.128","0.003","13.538","0.003","14.994","0.003","90","","103.23","0.01","90","","2001.3","0.8","298.2","","298.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tetrakis(ethylamine)oxalatocobalt(III)","","","- C10 H30 Cl Co N4 O9 -","- C10 H30 Cl Co N4 O9 -","- C40 H120 Cl4 Co4 N16 O36 -","4","1","OA1068","Kitamura, Yoichi; Azuma, Nagao; Matsuda, Taro; Tanabe, Yoichi","Tetrakis(methylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate and tetrakis(ethylamine-<i>N</i>)(oxalato-<i>O</i>^1^,<i>O</i>^2^)cobalt(III) perchlorate monohydrate","Acta Crystallographica Section C","1999","55","8","1267","1270","10.1107/S0108270199005594","","","0.7107","MoKα","","","0.066","","","","0.045","","","","","","1.259","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008812","13.093","0.002","8.836","0.001","14.724","0.001","90","","92.913","0.008","90","","1701.2","0.3","296","5","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O3 S Zn -","- C14 H18 N4 O3 S Zn -","- C56 H72 N16 O12 S4 Zn4 -","4","1","OA1085","Noriko Chikaraishi Kasuga; Yayoi Hara; Chisa Koumo; Kiyoshi Sekino; Kenji Nomiya","Two novel zinc(II) complexes of <i>N</i>'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide","Acta Crystallographica Section C","1999","55","8","1264","1267","10.1107/S0108270199004199","","","0.71069","MoKα","","0.067","0.036","","0.109","0.095","","","","1.029","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008813","9.5284","0.0015","10.829","0.002","8.863","0.003","91.94","0.03","94","0.02","101.698","0.013","892.3","0.4","293","3","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N6 O7 S Zn -","- C12 H16 N6 O7 S Zn -","- C24 H32 N12 O14 S2 Zn2 -","2","1","OA1085","Noriko Chikaraishi Kasuga; Yayoi Hara; Chisa Koumo; Kiyoshi Sekino; Kenji Nomiya","Two novel zinc(II) complexes of <i>N</i>'-[1-(2-pyridyl)ethylidene]morpholine-4-carbothiohydrazide","Acta Crystallographica Section C","1999","55","8","1264","1267","10.1107/S0108270199004199","","","0.71069","MoKα","","0.119","0.04","","0.12","0.093","","","","0.959","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008814","25.493","0.0013","49.577","0.003","9.1095","0.0005","90","","90","","90","","11513.2","1.1","223","2","223","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C480 H464 Cl48 N16 Ni8 O16 P16 Pd16 -","8","0.5","OA1087","Kamiyama, Asako; Kajiwara, Takashi; Ito, Tasuku","A trinuclear Pd~2~Ni complex, [(C~6~H~5~)~4~ P]~2~[(PdCl~3~)~2~{Ni(C~12~H~18~N~2~O~2~)}]","Acta Crystallographica Section C","1999","55","8","1282","1284","10.1107/S0108270199005545","","","0.71073","MoKα","","0.021","0.019","","","","0.047","","","","","","0.959","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008815","12.565","0.002","10.784","0.001","14.512","0.001","90","","105.716","0.008","90","","1892.9","0.4","296.2","","296.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,11-dithia[3.3.1]paracyclophane","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","1","OB1006","Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki","2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)","Acta Crystallographica Section C","1999","55","8","1357","1360","10.1107/S0108270199004503","","","0.7107","MoKα","","","0.0613","","","0.0535","","","","","1.341","1.341","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008816","14.345","0.003","7.585","0.003","19.248","0.002","90","","105.57","0.01","90","","2017.5","0.9","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,11-dithia[3.3.2]paracyclophane","","","- C24 H24 S2 -","- C24 H24 S2 -","- C96 H96 S8 -","4","1","OB1006","Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki","2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II)","Acta Crystallographica Section C","1999","55","8","1357","1360","10.1107/S0108270199004503","","","1.5418","CuKα","","","0.0421","","","0.0444","","","","","1.484","1.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008817","13.939","0.005","16.806","0.005","15.596","0.004","90","","107.11","0.02","90","","3491.8","1.9","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(tetrahydrofuran)(meso-tetraethylporphyrinato)iron(III) perchlorate","","- C36 H44 Cl Fe N4 O6 -","- C36 H44 Cl Fe N4 O6 -","- C144 H176 Cl4 Fe4 N16 O24 -","4","0.5","OB1008","Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio","(<i>meso</i>-Tetraethylporphyrinato)bis(tetrahydrofuran)iron(III) perchlorate","Acta Crystallographica Section C","1999","55","8","1284","1286","10.1107/S0108270199005429","","","0.71069","MoKα","","0.117","0.054","","","","0.157","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008818","7.8427","0.0012","10.2644","0.0013","16.961","0.002","90","","90","","90","","1365.4","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidine","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","OS1048","Surdykowski, Andrzej; Szłyk, Edward; Larsen, Sine","5,7-Diphenyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine at 122K","Acta Crystallographica Section C","1999","55","8","1337","1339","10.1107/S0108270199004631","","","1.54184","CuKα","","0.0315","0.0311","","","","0.0809","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008819","8.217","0.002","16.7363","0.0011","12.029","0.004","90","","100.53","0.04","90","","1626.4","0.7","208","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-difluoro-chloro-tris(pyridine)-osmium-(III)","","- C15 H15 Cl F2 N3 Os -","- C15 H15 Cl F2 N3 Os -","- C60 H60 Cl4 F8 N12 Os4 -","4","1","OS1051","Kolf, Stephan; Preetz, Wilhelm","<i>trans</i>-Chlorodifluorotris(pyridine-<i>N</i>)osmium(III)","Acta Crystallographica Section C","1999","55","8","1216","1218","10.1107/S010827019900205X","","","0.71069","MoKα","","0.03","0.02","","","","0.059","","","","","","0.934","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008820","7.203","0.001","7.67","0.002","12.197","0.002","90","","99.1","0.03","90","","665.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","OS1054","Govindasamy, L.; Velmurugan, D.; Rajendran, T.M.","An N···H—O intramolecular strong hydrogen bond in <i>N</i>-(2-aminophenyl)naphthaldimine","Acta Crystallographica Section C","1999","55","8","1368","1369","10.1107/S0108270199004527","","","1.54178","CuKα","","0.0344","0.0318","","","","0.1067","","","","","","1.039","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008821","10.2215","0.0002","20.8692","0.0004","12.87","0.0001","90","","98.13","0.001","90","","2717.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O6 S -","- C30 H26 N2 O6 S -","- C120 H104 N8 O24 S4 -","4","1","OS1056","Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun","Dimethyl α-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-<i>b</i>]indol-3-yl)maleate","Acta Crystallographica Section C","1999","55","8","1315","1317","10.1107/S010827019900565X","","","0.71073","MoKα","","0.07","0.0487","","","","0.1756","","","","","","1.129","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008822","8.7236","0.0018","9.748","0.003","8.134","0.0019","98.28","0.02","109.745","0.016","100.48","0.02","624.2","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","OS1062","Stájer, Géza; Virág, Miklós; Sillanpää, Reijo","Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[<i>b</i>]pyrrolo[1,6a-<i>a</i>][3,1]benzoxazin-11-one","Acta Crystallographica Section C","1999","55","8","1342","1344","10.1107/S0108270199005600","","","0.71069","MoKα","","0.077","0.0429","","","","0.1061","","","","","","1.036","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008823","18.5108","0.0018","6.644","0.004","21.2349","0.0015","90","","105.69","0.006","90","","2514.3","1.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","OS1062","Stájer, Géza; Virág, Miklós; Sillanpää, Reijo","Two isomers of 1,4a,5,7,8,9,9a,10,11,12a-decahydro-1,4-methanocyclopenta[<i>b</i>]pyrrolo[1,6a-<i>a</i>][3,1]benzoxazin-11-one","Acta Crystallographica Section C","1999","55","8","1342","1344","10.1107/S0108270199005600","","","0.71069","MoKα","","0.0785","0.0431","","","","0.1179","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008824","5.3724","0.0004","5.3724","0.0004","11.7932","0.0016","90","","90","","90","","340.38","0.06","297","1","297","1","","","","","","","","3","I 41/a :2","-I 4ad","88","none","Silver Perrhenate","","- Ag O4 Re -","- Ag O4 Re -","- Ag4 O16 Re4 -","4","0.25","QA0115","Dmitry Yu. Naumov; Alexander V. Virovets; Sergey V. Korenev; Alexander I. Gubanov","Silver perrhenate, AgReO~4~","Acta Crystallographica Section C","1999","55","8","IUC9900097","","10.1107/S0108270199099138","","","0.71073","MoKα","","0.025","0.022","","","","0.049","","","","","","1.133","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008825","7.464","0.0016","7.85","0.0019","11.778","0.004","90","0.02","99.4","0.02","90","0.02","680.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2-Amino-4,6-dimethyl-1,3,5-triazine]","","- C5 H8 N4 -","- C5 H8 N4 -","- C20 H32 N16 -","4","1","QA0130","Becker, Michael; Jansen, Martin","2-Amino-4,6-dimethyl-1,3,5-triazine","Acta Crystallographica Section C","1999","55","8","IUC9900094","","10.1107/S0108270199099060","","","0.71079","MoKα","","0.074","0.064","","","","0.205","","","","","","1.113","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008826","22.478","0.004","9.718","0.002","8.734","0.002","90","","102.62","0.03","90","","1861.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N-ethyl-N-iso-propyldithiocarbamato)lead(II)","","- C12 H24 N2 Pb S4 -","- C12 H24 N2 Pb S4 -","- C48 H96 N8 Pb4 S16 -","4","0.5","QA0132","Ng, Seik Weng","Space-group revision for bis(<i>N</i>-ethyl-<i>N</i>-isopropyldithiocarbamato)lead(II)","Acta Crystallographica Section C","1999","55","8","IUC9900091","","10.1107/S0108270199099102","","","0.71073","MoKα","","0.053","0.032","","","","0.084","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008827","11.904","0.004","12.042","0.002","15.436","0.004","90","","112.48","0.02","90","","2044.6","1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Br2 Li2 N4 -","- C12 H32 Br2 Li2 N4 -","- C48 H128 Br8 Li8 N16 -","4","1","QA0138","Henderson, Kenneth W.; Kennedy, Alan R.; Kerr, William J.; Moran, Paul H.","Redetermination of di-μ-bromo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')lithium]","Acta Crystallographica Section C","1999","55","8","IUC9900078","","10.1107/S0108270199099096","","","0.71069","MoKα","","0.1066","0.0363","","0.0486","0.0403","","","","","1.228","1.228","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008828","11.473","0.001","7.28","0.001","12.546","0.001","90","0.001","91.02","0.001","90","0.001","1047.72","0.19","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","QA0140","Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.","1-Propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole and 2-propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","8","IUC9900081","","10.1107/S0108270199099059","","","0.71073","MoKα","","","0.05","","","","0.078","","","","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008829","6.8758","0.0004","13.7186","0.0007","22.187","0.001","90","0.01","94.666","0.003","90","0.01","2085.88","0.19","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C88 H80 N32 -","8","2","QA0140","Achamlade, S.; El Hallaoui, A.; Hasnaoui, A.; Elachqar, A.; El Hajji, S.; Bellan, J.; Lopez, J.; Pierrot, M.","1-Propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole and 2-propargyl-5-<i>p</i>-tolyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","1999","55","8","IUC9900081","","10.1107/S0108270199099059","","","0.71073","MoKα","","","0.047","","","","0.064","","","","","","1.235","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008830","5.758","0.001","5.758","0.001","24.498","0.001","90","","90","","120","","703.4","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Dicalcium aluminium hydroxide bromide dihydrate","","- Al Br Ca2 H10 O8 -","- Al Br Ca2 H9.9996 O8 -","- Al3 Br3 Ca6 H29.9988 O24 -","3","0.166667","QA0141","Rapin, Jean-Philippe; Mohamed Noor, Norlidah; François, Michel","The double layered hydroxide 3CaO^.^Al~2~O~3~^.^CaBr~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","8","IUC9900092","","10.1107/S0108270199099126","","","0.56087","AgKα","","0.024","0.021","","","","0.075","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008831","15.8643","0.0001","6.0887","0.0001","20.3014","0.0001","90","","104.227","0.001","90","","1900.83","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-bis-indolyl (4-methylphenyl) methane","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","QA0142","R. Krishna; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; G. Babu; P. T. Perumal","Bis(indol-3-yl)(4-methylphenyl)methane","Acta Crystallographica Section C","1999","55","8","IUC9900084","","10.1107/S0108270199099047","","","0.71073","MoKα","","0.105","0.066","","","","0.2","","","","","","1.081","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008832","9.0236","0.0001","14.373","0.0001","19.7887","0.0001","90","","92.899","0.001","90","","2563.23","0.04","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 I2 P2 Pt -","- C25 H22 I2 P2 Pt -","- C100 H88 I8 P8 Pt4 -","4","1","QA0143","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","Diiodo[methylenebis(diphenylphosphine)-<i>P</i>,<i>P</i>']platinum(II), [PtI~2~(dppm)]","Acta Crystallographica Section C","1999","55","8","IUC9900083","","10.1107/S0108270199099084","","","0.71073","MoKα","","0.044","0.028","","","","0.061","","","","","","1.039","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008833","13.77","0.003","9.491","0.002","8.205","0.002","90","","98.28","0.03","90","","1061.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-bis(4H-1,2,4-triazol-4-yl)benzene monohydrate","1,4-Phenylene-bis(1,3,4-triazole) monohydrate","","- C10 H10 N6 O -","- C10 H10 N6 O -","- C40 H40 N24 O4 -","4","0.5","QA0144","Cai, Hu; Hu, Huai-Ming; Chen, Wan-Zhi; Xu, Yan; You, Xiao-Zeng","1,4-Bis(4<i>H</i>-1,2,4-triazol-4-yl)benzene monohydrate","Acta Crystallographica Section C","1999","55","8","IUC9900082","","10.1107/S0108270199099035","","","0.71073","MoKα","","0.086","0.052","","0.135","","0.122","","","0.992","","","1.094","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008834","10.619","0.005","30.105","0.014","10.582","0.003","90","","90","","90","","3383","2","158","2","158","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","1","QA0145","Kovalevsky, A. Yu.","Redetermination of <i>N</i>-acetylanthranilic acid at 158K","Acta Crystallographica Section C","1999","55","8","IUC9900093","","10.1107/S0108270199099023","","","0.71073","MoKα","","0.047","0.034","","0.198","","0.105","","","1.142","","","1.15","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008835","8.665","0.002","9.365","0.005","16.429","0.003","90","","99.84","0.01","90","","1313.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","QA0148","Thuéry, Pierre; Nierlich, Martine; Roux, Marie-Claude; Wartski, Lya","(3<i>S</i>,4<i>R</i>)-4-Benzoyl-3-(2-methyl-2-propenyl)tetrahydrofuran-2-one","Acta Crystallographica Section C","1999","55","8","IUC9900096","","10.1107/S0108270199099011","","","0.71073","MoKα","","0.084","0.047","","0.155","","0.123","","","1.072","","","1.175","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008836","10.5481","0.0005","8.9867","0.0004","18.5961","0.0009","90","","94.426","0.001","90","","1757.52","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methylhydroxy-(cyclopentadienyl (cyclopentadienyl)iron)-1,2-dicarba-closo-dodecaborane","","- C13 H22 B10 Fe O -","- C13.005 H22 B10 Fe O -","- C52.02 H88 B40 Fe4 O4 -","4","1","QB0085","Crundwell, Guy; Arellanes, Chuauthemoc; Gomez, Frank; Kantardjieff, Katherine","1-[Ferrocenyl(hydroxy)methyl]-1,2-dicarba-<i>closo</i>-dodecaborane","Acta Crystallographica Section C","1999","55","8","IUC9900087","","10.1107/S0108270199099072","","","0.71073","MoKα","","0.057","0.041","","","","0.093","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008837","19.1266","0.0019","8.2451","0.0008","10.0462","0.001","90","","90","","90","","1584.3","0.3","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","d,l-2,4-bis(phenylthio)-3-pentanone","","- C17 H18 O S2 -","- C17 H18 O S2 -","- C68 H72 O4 S8 -","4","0.5","QB0086","Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine","<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K","Acta Crystallographica Section C","1999","55","8","IUC9900088","","10.1107/S010827019909900X","","","0.71073","MoKα","","0.097","0.058","","","","0.136","","","","","","0.948","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008838","8.351","0.0013","14.027","0.002","16.201","0.003","90","","90","0.003","90","","1897.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","d,l-2,4-bis(2',6'dimethylphenylthio)-3-pentanone","","- C21 H26 O S2 -","- C21 H26 O S2 -","- C84 H104 O4 S8 -","4","1","QB0086","Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine","<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K","Acta Crystallographica Section C","1999","55","8","IUC9900088","","10.1107/S010827019909900X","","","0.71073","MoKα","","0.078","0.048","","","","0.101","","","","","","1","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008839","13.6707","0.001","10.4841","0.001","13.9479","0.0012","90","","115.943","0.006","90","","1797.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-carboethoxy-2,6-dichlorophenylimino)-1-isobutyrylimidazolidine","","- C16 H19 Cl2 N3 O3 -","- C16 H19 Cl2 N3 O3 -","- C64 H76 Cl8 N12 O12 -","4","1","QB0092","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate","Acta Crystallographica Section C","1999","55","8","IUC9900085","","10.1107/S0108270199098996","","","0.71073","MoKα","","0.059","0.039","","","","0.11","","","","","","0.95","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008840","42.7786","0.0003","9.2896","0.0002","22.7485","0.0003","90","","104.407","0.001","90","","8755.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-carboethoxy-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C20 H25 Cl2 N3 O4 -","- C20 H25 Cl2 N3 O4 -","- C320 H400 Cl32 N48 O64 -","16","2","QB0092","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate","Acta Crystallographica Section C","1999","55","8","IUC9900085","","10.1107/S0108270199098996","","","0.71073","MoKα","","0.199","0.083","","","","0.213","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008841","13.73","0.0001","8.54","0.0001","19.741","0.0001","90","","96.363","0.001","90","","2300.46","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-hydroxymethyl-2,6-dichlorophenylimino)imidazolidine","","- C10 H11 Cl2 N3 O -","- C10 H11 Cl2 N3 O -","- C80 H88 Cl16 N24 O8 -","8","2","QB0093","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate","Acta Crystallographica Section C","1999","55","8","IUC9900086","","10.1107/S0108270199098984","","","0.71073","MoKα","","0.049","0.036","","0.094","0.085","","","","1.05","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008842","12.0244","0.0001","21.8128","0.0001","9.5663","0.0001","90","","101.403","0.001","90","","2459.58","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-isobutyryloxymethyl-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine","","- C22 H29 Cl2 N3 O4 -","- C22 H29 Cl2 N3 O4 -","- C88 H116 Cl8 N12 O16 -","4","1","QB0093","E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo","Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate","Acta Crystallographica Section C","1999","55","8","IUC9900086","","10.1107/S0108270199098984","","","0.71073","MoKα","","0.126","0.075","","","","0.233","","","","","","0.97","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008843","8.301","0.002","9.287","0.002","6.791","0.002","98.67","0.02","100.73","0.02","70.49","0.02","482.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C22 H34 O4 -","1","0.5","QB0097","Anthony R. J. Genge; Raymond J. Boffey; Jeremy D. Kilburn","(3<i>S</i>,3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-3-{2-[(3<i>R</i>,3a<i>S</i>,6<i>R</i>,7a<i>S</i>)-6-Hydroxy-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-3-yl]ethyl}-6-methyl-5-methyleneperhydrobenzo[<i>b</i>]furan-6-ol","Acta Crystallographica Section C","1999","55","8","IUC9900089","","10.1107/S0108270199098972","","","0.71073","MoKα","","0.047","0.036","","","","0.105","","","","","","1.063","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008844","6.781","0.001","6.781","0.001","18.835","0.004","90","","90","","90","","866.1","0.3","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","nickel arsenate","nickel arsenate","","- As3 Ni4.35 O12 -","- As3 Ni4.356 O12 -","- As12 Ni17.424 O48 -","4","0.25","QB0098","Jacques Barbier","Tetragonal Ni~4.35~As~3~O~11.7~(OH)~0.3~","Acta Crystallographica Section C","1999","55","8","IUC9900080","","10.1107/S0108270199099114","","","0.56086","AgKα","","0.041","0.029","","0.055","0.051","","","","0.896","0.954","0.954","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008845","7.844","0.003","7.035","0.003","17.696","0.007","90","","100.6","0.03","90","","959.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C36 H48 N4 O8 S2 -","2","1","QB0102","Wei Zhu; Guishu Yang; Kaibai Yu","(<i>R</i>~S~)-(1<i>R</i>,2<i>S</i>,3<i>R</i>)-2-Methoxy-1,7,7-trimethyl-<i>N</i>-(4-nitrobenzylidene)bicyclo[2.2.1]heptane-3-sulfinamide","Acta Crystallographica Section C","1999","55","8","IUC9900090","","10.1107/S0108270199098960","","","0.71073","MoKα","","0.105","0.041","","","","0.088","","","","","","0.782","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008846","8.3947","0.0004","12.015","0.0005","12.8347","0.0006","90","","101.527","0.001","90","","1268.43","0.1","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Kemp's acid","cis,cis-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","QB0103","Alan Hazell; Hans Toftlund","Kemp's acid at 120K","Acta Crystallographica Section C","1999","55","8","IUC9900079","","10.1107/S0108270199098959","","","0.71073","MoKα","","","0.031","","","","0.04","","","","","","1.505","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008847","15.6977","0.0001","8.7328","0.0001","21.2064","0.0005","90","","90","","90","","2907.08","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C136 H120 N24 O16 -","8","1","QB0104","Xiao-Feng Chen; Xu-Hui Zhu; Jagadese J. Vittal; Xiao-Zeng You","5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol","Acta Crystallographica Section C","1999","55","8","IUC9900095","","10.1107/S0108270199098947","","","0.71073","MoKα","","0.092","0.068","","","","0.136","","","","","","1.225","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008848","6.794","0.0005","6.794","0.0005","11.9557","0.0011","90","","90","","90","","551.86","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Copper(II)-cyclopropane-1,1-carboxylate","Copper(II)-cyclopropane-1,1-carboxylate","","- C5 H4 Cu O4 -","- C5 H4 Cu O4 -","- C20 H16 Cu4 O16 -","4","0.5","SK1210","Petri, Alke; Schwarz, Thomas; Schilling, Joachim; Lentz, Axel","Polymeric (cyclopropane-1,1-dicarboxylato)copper(II)","Acta Crystallographica Section C","1999","55","8","1247","1248","10.1107/S0108270199005867","","","0.71073","MoKα","","0.0195","0.0184","","","","0.0477","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008849","10.293","0.002","11.909","0.002","10.252","0.002","90","","90","","90","","1256.7","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","tricαesium niobium tetraselenide","","- Cs3 Nb Se4 -","- Cs3 Nb Se4 -","- Cs12 Nb4 Se16 -","4","0.5","SK1211","Krause, Oliver; Näther, Christian; Bensch, Wolfgang","Cs~3~NbSe~4~","Acta Crystallographica Section C","1999","55","8","1197","1199","10.1107/S0108270199004941","","","0.71073","MoKα","","0.057","0.036","","","","0.095","","","","","","1.056","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008850","19.784","0.009","11.101","0.009","12.384","0.004","90","","106.59","0.02","90","","2607","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(N,N'-diphenylguanidinium) oxalate","","- C28 H28 N6 O4 -","- C28 H28 N6 O4 -","- C112 H112 N24 O16 -","4","0.5","SK1285","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","Bis(<i>N</i>,<i>N</i>'-diphenylguanidinium) oxalate","Acta Crystallographica Section C","1999","55","8","1290","1292","10.1107/S010827019900493X","","","0.71073","MoKα","","0.087","0.035","","","","0.095","","","","","","1.017","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008851","29.277","0.002","8.9805","0.0008","9.8486","0.0006","90","","106.248","0.0001","90","","2486","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","6α,7β-dihydroxy-N-cyclohexyl-vouacapan-17β-amide","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C104 H156 N4 O16 -","4","1","SX1054","Branco, Marcelo Cardoso; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Maltha, Celia Regina A.; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","<i>N</i>-Cyclohexyl-6α,7β-dihydroxyvouacapan-17β-carboxamide","Acta Crystallographica Section C","1999","55","8","1297","1299","10.1107/S0108270198017466","","","0.71073","MoKα","","0.074","0.047","","0.133","0.107","","","","1.145","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008852","7.935","0.007","8.656","0.003","9.389","0.003","90","","97.87","0.04","90","","638.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,2S,5S,6S)-6-methyl-5,6-dihydroxycyclohexe-3-en-1,2-diyl diacetate","","- C11 H16 O6 -","- C11 H16 O6 -","- C22 H32 O12 -","2","1","SX1084","Silvia Russi; Leopoldo Suescun; Alvaro W. Mombrú; Helena Pardo; Raúl A. Mariezcurrena; Margarita Brovetto; Gustavo Seoane","(1<i>S</i>,2<i>S</i>,5<i>S</i>,6<i>S</i>)-5,6-Dihydroxy-6-methylcyclohex-3-en-1,2-diyl diacetate","Acta Crystallographica Section C","1999","55","8","1347","1349","10.1107/S0108270199004953","","","0.71069","MoKα","","0.06","0.047","","","","0.145","","","","","","1.041","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008853","9.556","0.003","11.007","0.003","12.713","0.004","111.67","0.02","107.02","0.02","99.25","0.02","1132.6","0.7","158","2","158","2","","","","","","","","4","P 1","P 1","1","","(1-D-1,2:5,6-di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol","","- C24 H29 O7 P -","- C24 H29 O7 P -","- C48 H58 O14 P2 -","2","2","TA1226","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-(diphenylphosphinoyl)-<i>chiro</i>-inositol, a hydrogen-bonded dimeric structure","Acta Crystallographica Section C","1999","55","8","1353","1355","10.1107/S0108270199006769","","","0.71073","MoKα","","0.097","0.068","","0.181","0.161","","","","0.998","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008854","7.927","0.003","6.159","0.002","22.47","0.01","90","","97.76","0.04","90","","1087","0.7","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-methylimidazole-N^3^)bis(salicylato-O,O')copper(II)","","- C22 H22 Cu N4 O6 -","- C22 H22 Cu N4 O6 -","- C44 H44 Cu2 N8 O12 -","2","0.5","TA1230","Jian, Fangfang; Wang, Zuoxiang; Wei, Chen; Bai, Zhiping; You, Xiaozeng","Bis(1-methylimidazole-<i>N</i>^3^)bis(salicylato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1999","55","8","1228","1230","10.1107/S0108270199002590","","","0.71073","MoKα","","0.055","0.041","","0.107","0.101","","","","1.054","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008855","13.731","0.0006","9.1357","0.0005","10.8227","0.0005","90","","98.852","0.004","90","","1341.45","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-bis(N-methylene-2-pyrrolidone)glycine","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","TA1237","Xiang-Jun Zheng; Zhe-Ming Wang; Yan-Qia Wang; Lin-Pei Jin; Jian-Quan Guo; Chun-Hua Yan","<i>N</i>,<i>N</i>-Bis(2-oxopyrrolidin-1-ylmethyl)glycine","Acta Crystallographica Section C","1999","55","8","1333","1335","10.1107/S0108270199005259","","","0.71073","MoKα","","0.0784","0.0445","","","","0.1193","","","","","","1.044","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008856","9.06","0.005","11.4157","0.0012","14.058","0.004","90","0.02","92.29","0.03","90","0.02","1452.8","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(hexamethylphosphoramide)tetrachlorodigallium(II)","","- C12 H36 Cl4 Ga2 N6 O2 P2 -","- C12 H36 Cl4 Ga2 N6 O2 P2 -","- C24 H72 Cl8 Ga4 N12 O4 P4 -","2","0.5","TA1238","Rickard, Clifton E. F.; Taylor, Michael J.; Kilner, Melvin","Tetrachlorobis(hexamethylphosphoramide-<i>O</i>)digallium(II)(<i>Ga</i>—<i>Ga</i>)","Acta Crystallographica Section C","1999","55","8","1215","1216","10.1107/S0108270199005843","","","0.71069","MoKα","","0.142","0.05","","","","0.117","","","","","","0.961","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008857","11.0912","0.0004","11.0912","0.0004","4.4414","0.0004","90","","90","","90","","546.36","0.06","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Zinc Mercury Thiocyanate","","- C4 Hg N4 S4 Zn -","- C4 Hg N4 S4 Zn -","- C8 Hg2 N8 S8 Zn2 -","2","0.25","TA1243","Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Yuan, Duo-Rong; Lu, Meng-Kai; Yang, Ping; Guo, Shi-Yi; Meng, Fan-Qing; Jiang, Min-Hua","Zinc mercury thiocyanate (ZMTC)","Acta Crystallographica Section C","1999","55","8","1203","1205","10.1107/S0108270199005983","","","0.71073","MoKα","","0.034","0.033","","","","0.095","","","","","","1.115","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008858","7.8637","0.0003","16.0133","0.0005","17.9513","0.0006","90","","101.358","0.001","90","","2216.23","0.13","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(urea)hydroxo[9-(1,8-diaza-fluoren-9-ylidene)amino-1,8- diazafluorenato]zinc(II) Urea Solvate.","","- C24 H23 N9 O4 Zn -","- C24 H23 N9 O4 Zn -","- C96 H92 N36 O16 Zn4 -","4","1","TA1244","Komen, Raymond P.; Miskelly, Gordon M.; Oliver, Allen; Rickard, Clifton E. F.","Aqua[9-(1,8-diazafluoren-9-ylidene)amino-1,8-diazafluorenato]hydroxo(urea)zinc(II) urea solvate","Acta Crystallographica Section C","1999","55","8","1213","1215","10.1107/S0108270199005995","","","0.71073","MoKα","","0.073","0.058","","","","0.168","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008859","20.999","0.001","14.397","0.0005","12.648","0.004","90","","90","","90","","3823.8","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyltetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C192 H192 N16 O8 -","8","2","VJ1098","Laavanya, P.; Panchanatheswaran, K.; Venkatraj, M.; Jeyaraman, R.; Marshall, W.","1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section C","1999","55","8","1355","1357","10.1107/S0108270199004722","","","0.71069","MoKα","","0.0565","0.0504","","","","0.1251","","","","","","1.222","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008860","9.45","0.002","11.581","0.001","17.544","0.001","90","","90","","90","","1920","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,SR)-2-[1-(tert-Butoxycarbonyl)-pyrrolidinyl]-p-tolylsulfinylmethyl ketone","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C72 H100 N4 O16 S4 -","4","1","BK1464","Rubén A.Toscano; Alejandra Carrasco; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walle; Francisco Yuste","(2<i>S</i>,S<i>R</i>)-<i>tert</i>-Butyl 2-(<i>p</i>-tolylsulfinylacetyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1605","1607","10.1107/S0108270199006253","","","0.71073","MoKα","","0.0897","0.0517","","","","0.1353","","","","","","1.013","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008861","6.507","0.005","9.64","0.003","26.376","0.003","90","","91.51","0.03","90","","1653.9","1.4","170","1","170","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(N-Maleoylmethioninate) trimethyl tin","(N-Maleoylmethioninate) trimethyl tin","","- C12 H19 N O4 S Sn -","- C12 H19 N O4 S Sn -","- C48 H76 N4 O16 S4 Sn4 -","4","1","BK1466","Parvez, Masood; Ali, Saqib; Mazhar, Muhammad; Bhatti, M. Hussain; Choudhary, M. Aziz","(<i>N</i>-Maleoylmethioninato)trimethyltin(IV)","Acta Crystallographica Section C","1999","55","9","1429","1431","10.1107/S0108270199007180","","","0.71069","MoKα","","0.091","0.059","","","","0.159","","","","","","1.224","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008862","7.726","0.002","9.818","0.002","13.169","0.002","99","0.01","106.57","0.02","91.54","0.02","942.9","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","di[1-dimethylamino-8-dimethylammonionaphthalene][naphthalene-1,5-dicarboxylic acid-4,8-dicarboxylate] dihydrate","","","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","- C42 H48 N4 O10 -","1","0.5","BK1470","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH^+^)~2~] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate","Acta Crystallographica Section C","1999","55","9","1556","1559","10.1107/S0108270199006289","","","0.71073","MoKα","","","0.038","","","","0.067","","","","","","1.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008863","9.3101","0.0008","12.484","0.0011","14.7622","0.0014","89.988","0.002","89.819","0.002","73.151","0.002","1642.1","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","4-(Triphenylmethyl)phenol-Triphenylphosphine Oxide(1/1)","1:1 Complex of 4-(Triphenylmethyl)phenol and Triphenylphosphine Oxide","","- C43 H35 O2 P -","- C43 H35 O2 P -","- C86 H70 O4 P2 -","2","1","BK1472","Ram K. R. Jetti; Weiss, Hans-Christoph; Venkat R. Thalladi; Boese, Roland; Ashwini Nangia; Gautam R. Desiraju","4-(Triphenylmethyl)phenol‒triphenylphosphine oxide (1/1)","Acta Crystallographica Section C","1999","55","9","1530","1533","10.1107/S0108270199006290","","","0.71073","MoKα","","0.091","0.064","","","","0.167","","","","","","1.086","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008864","9.435","0.006","12.605","0.004","9.481","0.005","90","","99.82","0.05","90","","1111","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Tetra(mu-cyano)-tris(ammonium)-dicuprate(I)-cupper(II)]~\ιnfty~","","- C4 H9 Cu3 N7 -","- C4 H9 Cu3 N7 -","- C16 H36 Cu12 N28 -","4","1","BM1284","Viktor Vrábel; Ján Garaj; Július Sivý; Drahomír Oktavec","Polymeric triamminetetrakis(μ-cyano)dicuprate(I)copper(II)","Acta Crystallographica Section C","1999","55","9","1381","1383","10.1107/S0108270199007477","","","0.71069","MoKα","","0.111","0.048","","0.096","0.085","","","","0.905","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008865","10.182","0.004","9.707","0.005","23.455","0.008","90","","101.48","0.03","90","","2271.8","1.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O') ytterbium(III)]","","- C48 H46 N4 O12 Yb2 -","- C48 H46 N4 O12 Yb2 -","- C96 H92 N8 O24 Yb4 -","2","0.5","BM1303","Lu, Weimin; Luo, Xiaoyang; Wu, Bin; Jianxin Mao; Jiang, Xiaoyuan","A dihomonuclear complex: di-μ-methacrylato-<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-<i>N</i>,<i>N</i>')bis(methacrylato-<i>O</i>,<i>O</i>')ytterbium(III)]","Acta Crystallographica Section C","1999","55","9","1472","1475","10.1107/S0108270199006915","","","0.71069","MoKα","","","0.034","","","","0.043","","","","","","1.54","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008866","23.727","0.003","5.837","0.0005","14.377","0.002","90","","98.337","0.01","90","","1970.1","0.4","293","1","293","1","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","Bis[μ-{bis(ethanethiolato)-S,N,μ-S'-(ethanethiol)}amine]dinickel(II)","","- C12 H26 N2 Ni2 S6 -","- C12 H26 N2 Ni2 S6 -","- C48 H104 N8 Ni8 S24 -","4","0.5","BM1327","Davies, Sian C.; Evans, David J.; Hughes, David L.; Longhurst, Steven","Bis[μ-2,2',2''-nitrilotriethanethiolato(2 ‒)-<i>N</i>,<i>S</i>,<i>S</i>':<i>S</i>']dinickel(II)","Acta Crystallographica Section C","1999","55","9","1436","1438","10.1107/S010827019900760X","","","0.71069","MoKα","","0.104","0.044","","","","0.097","","","","","","0.963","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008867","7.847","0.003","8.594","0.003","9.867","0.003","115.612","0.014","98.079","0.015","104.033","0.016","558.8","0.4","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","1,4,7,10-Tetraoxacyclododecane‒acetone thiosemicarbazone (1/2)","","- C16 H34 N6 O4 S2 -","- C16 H34 N6 O4 S2 -","- C16 H34 N6 O4 S2 -","1","0.5","BM1332","Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","1,4,7,10-Tetraoxacyclododecane‒acetone thiosemicarbazone (1/2)","Acta Crystallographica Section C","1999","55","9","1542","1545","10.1107/S0108270199006381","","","0.71073","MoKα","","0.041","0.036","","","","0.093","","","","","","1.059","","","","has coordinates,has Fobs","266815","2021-06-30","10:39:38",""
"2008868","8.9427","0.0012","9.419","0.0013","11.9415","0.0012","95.977","0.002","106.464","0.003","107.763","0.002","898.4","0.2","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Cl2 Cu Hg N2 O2 -","- C17 H16 Cl2 Cu Hg N2 O2 -","- C34 H32 Cl4 Cu2 Hg2 N4 O4 -","2","1","BM1333","Atakol, Orhan; Arıcı, Cengiz; Tahir, M. Nawaz; Kenar, Adnan; Ülkü, Dinçer","{[μ-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichloromercury(II)","Acta Crystallographica Section C","1999","55","9","1416","1418","10.1107/S0108270199007076","","","0.71073","MoKα","","","0.019","","","","0.025","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008869","5.152","0.0005","10.472","0.0011","6.3709","0.0007","90","","105.659","0.002","90","","330.96","0.06","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2'-Bi-2-imidazoline","","- C6 H10 N4 -","- C6 H10 N4 -","- C12 H20 N8 -","2","0.5","BM1338","Brennan, Conor J.; McKee, Vickie","2,2'-Bi-2-imidazoline","Acta Crystallographica Section C","1999","55","9","1492","1494","10.1107/S010827019900654X","","","0.71073","MoKα","","0.0399","0.037","","","","0.0979","","","","","","1.082","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008870","22.3117","0.0014","8.2925","0.0006","16.1711","0.0018","90","","122.532","0.006","90","","2522.5","0.4","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","","- C18 H40 N8 O5 -","- C18 H40 N8 O5 -","- C72 H160 N32 O20 -","4","1","BM1339","McKee, Vickie; Nelson, Jane","1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate","Acta Crystallographica Section C","1999","55","9","1494","1496","10.1107/S010827019900671X","","","0.71073","MoKα","","0.036","0.029","","","","0.068","","","","","","1.052","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008871","15.8043","0.0016","12.8885","0.0012","11.4501","0.0011","90","","132.195","0.002","90","","1727.9","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N^1^,N^2^ - Di(phenyl)benzamidine nitrate","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","0.5","BM1345","Barker, James; Errington, William; Wallbridge, Malcolm G. H.","<i>N</i>,<i>N</i>'-Diphenylbenzamidinium nitrate","Acta Crystallographica Section C","1999","55","9","1583","1585","10.1107/S0108270199007672","","","0.71073","MoKα","","0.0723","0.0457","","","","0.1188","","","","","","1.002","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008872","14.045","0.003","12.932","0.003","17.099","0.003","90","","101.08","0.03","90","","3047.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium magnesium paradodecatungstate dodehydrate","","- H66 Mg4 N2 O70 W12 -","- Mg4 N2 O70 W12 -","- Mg8 N4 O140 W24 -","2","0.5","BR1227","Li, Jing; Wang, Ru-Ji; Torardi, Charlie C.","(NH~4~)~2~[Mg~4~(H~2~O)~18~(H~2~W~12~O~42~)]^.^10H~2~O, a new compound containing chains formed by magnesium and paradodecahedral tungstate ions","Acta Crystallographica Section C","1999","55","9","1388","1391","10.1107/S0108270199006265","","","0.71073","MoKα","","0.1255","0.0716","","","","0.1125","","","","","","1.165","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008873","5.6665","0.0002","5.6665","0.0002","34.2196","0.0017","90","","90","","120","","951.56","0.07","293","","293","","","","","","","","","5","R -3 m :H","-R 3 2""","166","K^+^ /b""-aluminogallate","","","- Al8.58 Ga1.75 K1.67 Mg0.67 O17 -","- Al8.58105 Ga1.75235 K1.68 Mg0.2222 O17 -","- Al25.7432 Ga5.25705 K5.04 Mg0.6666 O51 -","3","0.0833333","BR1232","Edström, Kristina","Potassium β''-aluminogallate","Acta Crystallographica Section C","1999","55","9","1384","1388","10.1107/S0108270199007799","","","0.71073","MoKα","","0.036","0.018","","0.062","","0.062","","","1.81","","","1.81","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008874","10.221","0.003","9.275","0.003","7.024","0.002","90","","106.87","0.02","90","","637.2","0.3","299","2","299","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co0.7 Fe0.3 Mo O4 -","- Co0.695 Fe0.305 Mo O4 -","- Co5.56 Fe2.44 Mo8 O32 -","8","1","BR1241","Ehrenberg, Helmut; Svoboda, Ingrid; Wiesmann, Marc; Weitzel, Hans","A mixed transition metal molybdate, β-(Co~0.7~Fe~0.3~)MoO~4~","Acta Crystallographica Section C","1999","55","9","1383","1384","10.1107/S0108270199007805","","","0.71093","MoKα","","0.062","0.037","","0.095","0.087","","","","1.135","1.205","1.205","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008875","10.422","0.006","10.422","0.006","101.433","0.007","90","","90","","120","","9541","8","298.2","","298.2","","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","[Co{α-Me‒sal~2~‒(S,S)‒bn}(py)~2~}]BF~4~, 1.5-water","","- C30 H35 B Co F4 N4 O3.5 -","- C30 H34.49 B Co F4 N4 O3.245 -","- C360 H413.88 B12 Co12 F48 N48 O38.94 -","12","1","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","1.5418","CuKα","","","0.0541","","","","0.0585","","","","","","1.892","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2008876","10.305","0.002","18.047","0.003","50.764","0.002","90","","92.463","0.009","90","","9432","2","298.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H35.4 B Co F4 N4 O3.7 -","- C30 H32 B Co F3.91667 N4 O3.48333 -","- C360 H384 B12 Co12 F47 N48 O41.8 -","12","3","CF1272","Shoichi Sato; Takashi Fukuda; Kazuaki Ishii; Yoshiharu Nakano; Yuki Fujii","Polymorphs of [(2<i>S</i>,3<i>S</i>)-α-Me-<i>N</i>,<i>N</i>'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate","Acta Crystallographica Section C","1999","55","9","1466","1470","10.1107/S0108270199006812","","","0.7107","MoKα","","","0.0561","","","","0.0686","","","","","","2.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008877","11.135","0.002","11.135","0.002","4.376","0.001","90","","90","","90","","542.57","0.19","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C4 Cd N4 S4 Zn -","- C4 Cd N4 S4 Zn -","- C8 Cd2 N8 S8 Zn2 -","2","0.25","CF1297","Tian, Yu-Peng; Yu, Wen-Tao; Fang, Qi; Wang, Xin-Qiang; Yuan, Duo-Rong; Xu, Dong; Jiang, Min-Hua","Zinc cadmium thiocyanate (ZCTC)","Acta Crystallographica Section C","1999","55","9","1393","1395","10.1107/S0108270199007623","","","0.71073","MoKα","","0.029","0.028","","0.094","0.093","","","","1.264","1.275","1.275","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008878","6.231","0.003","7.935","0.004","11.667","0.006","90","","92.09","0.03","90","","576.5","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-hydroxypyridine-2-thione","1-Hydroxypyridine-2(1H)-thione","","- C5 H5 N O S -","- C5 H5 N O S -","- C20 H20 N4 O4 S4 -","4","1","CF1307","Bond, Andrew; Jones, William","1-Hydroxy-2(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1999","55","9","1536","1538","10.1107/S0108270199006824","","","0.71073","MoKα","","0.0594","0.0311","","","","0.0856","","","","","","1.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008879","29.7207","0.0013","7.7934","0.0003","17.2154","0.0007","90","","102.392","0.001","90","","3894.6","0.3","188","2","188","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H34 Cl2 N4 O2 Pd -","- C14 H34 Cl2 N4 O2 Pd -","- C112 H272 Cl16 N32 O16 Pd8 -","8","1","CF1310","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","The square-pyramidal Pd^II^ complex of a cross-bridged tetraazamacrocycle","Acta Crystallographica Section C","1999","55","9","1404","1406","10.1107/S0108270199007817","","","0.71073","MoKα","","0.066","0.0382","","0.0888","","0.0819","","","0.945","","","1.058","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2008880","25.3","0.005","7.366","0.002","14.609","0.003","90","","113.62","0.03","90","","2494.4","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate bis-hydrazinium","","- C10 H14 N6 O6 -","- C10 H14 N6 O6 -","- C80 H112 N48 O48 -","8","1","CF1312","Benniston, Andrew C.; Yufit, D. S.; Howard, Judith A. K.","Bis(hydrazinium) 4-hydroxy-1-oxo-2<i>H</i>-phthalazine-6,7-dicarboxylate","Acta Crystallographica Section C","1999","55","9","1535","1536","10.1107/S0108270199007635","","","0.71073","MoKα","","0.077","0.044","","","","0.107","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008881","13.332","0.001","6.0756","0.0005","8.3258","0.0006","90","","90","","90","","674.39","0.09","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H Na O7 Se2 Zn2 -","- H Na O7 Se2 Zn2 -","- H4 Na4 O28 Se8 Zn8 -","4","0.5","CF1315","Harrison, William T. A.; Phillips, Mark L. F.","Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~","Acta Crystallographica Section C","1999","55","9","1398","1399","10.1107/S010827019900637X","","","0.71073","MoKα","","","0.029","","","","0.032","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008882","12.1621","0.0009","14.7472","0.0009","20.8082","0.0009","90","","103.451","0.002","90","","3629.7","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","iodo(6-chloropyridin-2-yl)bis(triphenylphosphine)palladium(II)","","","- C41 H33 Cl I N P2 Pd -","- C41 H33 Cl I N P2 Pd -","- C164 H132 Cl4 I4 N4 P8 Pd4 -","4","1","CF1319","Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.","(6-Chloropyridin-2-yl)iodobis(triphenylphosphine)palladium(II)","Acta Crystallographica Section C","1999","55","9","1461","1463","10.1107/S0108270199007866","","","0.71073","MoKα","","0.098","0.053","","","","0.139","","","","","","1.001","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008883","8.9031","0.0004","15.7897","0.0006","20.0697","0.0007","90","","99.569","0.004","90","","2782.09","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di(1-hydro-1,10-Phenanthrolinium) iodinium-dichlorido diiodine-chloride","","- C24 H18 Cl3 I3 N4 -","- C24 H18 Cl3 I3 N4 -","- C96 H72 Cl12 I12 N16 -","4","1","DA1070","Wang, Yan-Qia; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua","Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 ‒) dichloroiodide(1 ‒)","Acta Crystallographica Section C","1999","55","9","1503","1506","10.1107/S0108270199007684","","","0.71073","MoKα","","0.0509","0.0332","","","","0.0745","","","","","","1.084","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008884","22.8378","0.0014","12.0426","0.0005","9.5835","0.0004","90","","107.358","0.004","90","","2515.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-tris(m-cyanobenzoxylate erbium) dihydrate","","- C24 H15 Er N3 O8 -","- C24 H15 Er N3 O8 -","- C96 H60 Er4 N12 O32 -","4","0.5","DA1072","Ma, Bao-Qing; Gao, Song; Wang, Zhe-Ming; Yi, Tao; Yan, Chun-Hua; Xu, Guang-Xian","<i>catena</i>-Poly[[diaqua(3-cyanobenzoato-<i>O</i>,<i>O</i>')erbium]-bis-μ-(3-cyanobenzoato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","1999","55","9","1420","1422","10.1107/S0108270199007696","","","0.71073","MoKα","","0.027","0.02","","","","0.047","","","","","","1.078","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008885","10.82","0.02","9.98","0.02","43.13","0.07","90","","90","","90","","4657","15","100","","","","","","","","","","","6","P 21 c a","P -2ac 21","","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C80 Ca16 Cl32 D240 N16 O64 -","16","4","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.084","","","0.088","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008886","10.82","0.03","9.98","0.02","53.93","0.02","90","","90","","90","","5824","2","68","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C100 Ca20 Cl40 D300 N20 O80 -","20","5","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.123","","","0.154","","","","","1.03","1.03","","","","","has coordinates","189897","2020-10-21","18:00:00",""
"2008887","14.485","0.002","10.804","0.002","19.567","0.003","90","","103.28","0.01","90","","2980.3","0.8","290","2","17","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis‒(2,2'‒bipyridine)‒bis‒μ-maleato‒diaqua‒dizinc Dihydrate","","- C28 H28 N4 O12 Zn2 -","- C28 H28 N4 O12 Zn2 -","- C112 H112 N16 O48 Zn8 -","4","0.5","FG1534","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","A maleate-bridged dinuclear bipyridine-containing zinc(II) complex","Acta Crystallographica Section C","1999","55","9","1470","1472","10.1107/S0108270199006848","","","0.71073","MoKα","","0.0343","0.0245","","0.0613","","0.0586","","","0.972","","","1.057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008888","10.2264","0.0002","10.3606","0.0001","18.0965","0.0003","87.36","0.001","81.604","0.001","74.839","0.001","1830.72","0.05","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","cis-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II) 0.6 dichloromethane solvate","","- C40.5 H35 Cl N2 P2 Pt -","- C40 H34 N2 P2 Pt -","- C80 H68 N4 P4 Pt2 -","2","1","FG1536","Henderson, William; Oliver, Allen G.","<i>cis</i>-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II)‒dichloromethane (1/0.6)","Acta Crystallographica Section C","1999","55","9","1406","1408","10.1107/S0108270199007490","","","0.71073","MoKα","","0.062","0.047","","","","0.113","","","","","","0.968","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008889","8.866","","12.9431","0.0002","13.9107","0.0002","103.112","0.001","102.296","0.001","93.03","","1510.41","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N,N'‒bis‒(2‒tosylaminobenzylidene)‒1,3‒propanediamine","","- C31 H32 N4 O4 S2 -","- C31 H32 N4 O4 S2 -","- C62 H64 N8 O8 S4 -","2","1","FG1538","Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; Sanmartín, Jesús; Maneiro, Marcelino","<i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)-1,3-propanediamine","Acta Crystallographica Section C","1999","55","9","1545","1547","10.1107/S010827019900685X","","","0.71073","MoKα","","0.0756","0.0493","","0.1535","0.1341","","","","1.017","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008890","7.363","0.001","11.299","0.001","23.502","0.003","90","","90","","90","","1955.2","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-ketopinic acid","(+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","FG1548","Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.; (+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate","Acta Crystallographica Section C","1999","55","9","1600","1605","10.1107/S0108270199007428","","","0.71073","MoKα","","0.116","0.06","","","","0.13","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008891","7.0947","0.0003","11.8316","0.0006","12.1662","0.0006","72.013","0.001","77.019","0.001","86.546","0.001","946.47","0.08","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(+/-)-ketopinic acid","(+/-)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","FG1548","Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.","(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate","Acta Crystallographica Section C","1999","55","9","1600","1605","10.1107/S0108270199007428","","","0.71073","MoKα","","0.056","0.05","","","","0.137","","","","","","1.07","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008892","9.443","0.002","20.758","0.004","23.478","0.005","90","","90","","90","","4602.1","1.6","162","2","162","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(dicyclohexylammonium) (nitrilotriacetato)tributylstannate","","- C42 H81 N3 O6 Sn -","- C42 H81 N3 O6 Sn -","- C168 H324 N12 O24 Sn4 -","4","1","FG1549","Ng, Seik Weng","Bis(dicyclohexylammonium) tributyl(nitrilotriacetato)stannate","Acta Crystallographica Section C","1999","55","9","1447","1449","10.1107/S0108270199007295","","","0.71073","MoKα","","0.063","0.044","","","","0.1","","","","","","0.942","","","","has coordinates,has disorder","189898","2020-10-21","18:00:00",""
"2008893","10.574","0.003","16.812","0.002","12.882","0.002","90","","102.15","0.02","90","","2238.7","0.8","170","1","170","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tri-n-Butyltin N-maleoyl-β-alaninate","Tri-n-butyltin N-maleoyl-β-alaninate","","- C19 H33 N O4 Sn -","- C19 H33 N O4 Sn -","- C76 H132 N4 O16 Sn4 -","4","1","FG1551","Parvez, Masood; Ali, Saqib; Bhatti, Moazzam Hussain; Khokhar, Muhammad Nawaz; Mazhar, Muhammad; Qureshi, Sajid Iqbal","Tri-<i>n</i>-butyl(<i>N</i>-maleoyl-β-alaninato)tin","Acta Crystallographica Section C","1999","55","9","1427","1429","10.1107/S010827019900743X","","","0.71069","MoKα","","0.107","0.039","","","","0.141","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008894","7.1458","0.0008","9.769","0.0012","11.886","0.002","110.784","0.01","96.074","0.011","101.302","0.01","746.65","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethylxanthen-1,8-dione","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","FR1174","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.","Two tetramethylxanthenediones","Acta Crystallographica Section C","1999","55","9","1515","1517","10.1107/S0108270199006393","","","0.71073","MoKα","","0.066","0.044","","0.139","0.123","","","","0.994","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008895","26.581","0.002","10.094","0.001","19.624","0.002","90","","128.75","0.01","90","","4106.3","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-9-(2-nitrophenyl)xanthen-1,8- dione","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C184 H200 N8 O40 -","8","1","FR1174","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Hoong-Kun Fun; Murugan, P.","Two tetramethylxanthenediones","Acta Crystallographica Section C","1999","55","9","1515","1517","10.1107/S0108270199006393","","","0.71073","MoKα","","0.156","0.043","","0.107","0.081","","","","0.74","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008896","11.396","0.001","6.742","0.002","14.142","0.001","90","","94.58","0.01","90","","1083.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethylisoguanine","","- C7 H15 N5 O4 -","- C7 H15 N5 O4 -","- C28 H60 N20 O16 -","4","1","FR1180","Gambardella, Maria Teresa do Prado; Dias, Ricardo Luis Araujo; Chehade, Claire Camargos; Berlinck, Roberto Gomes de Sousa","1,3-Dimethylisoguanine trihydrate","Acta Crystallographica Section C","1999","55","9","1585","1587","10.1107/S010827019900640X","","","1.5418","CuKα","","0.071","0.048","","","","0.161","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008897","6.9887","0.0002","10.7123","0.0002","20.4198","0.0004","90","","90","","90","","1528.73","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","FR1186","R. Sankaranarayanan; S. Shanmuga Sundara Raj; D. Velmurugan; Hoong-Kun Fun","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","Acta Crystallographica Section C","1999","55","9","1513","1514","10.1107/S0108270199006149","","","0.71073","MoKα","","0.078","0.051","","","","0.118","","","","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008898","8.843","0.003","14.085","0.005","15.638","0.005","90","","90","","90","","1947.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7- trimethyl-3-(toluene-4-sulfonyl)perhydro-1,3-benzoxazine","","- C20 H29 N O3 S -","- C20 H29 N O3 S -","- C80 H116 N4 O12 S4 -","4","1","FR1189","Rochon, Fernande D.; Breau, Livain","(+)-(2<i>S</i>,7<i>R</i>,9<i>R</i>,10<i>S</i>)-2-Ethenyl-4,4,7-trimethyl-3-(toluene-4-sulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2<i>H</i>-1,3-benzoxazine","Acta Crystallographica Section C","1999","55","9","1587","1589","10.1107/S0108270199006873","","","0.71073","MoKα","","0.138","0.053","","0.099","0.081","","","","1.046","1.286","1.286","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008899","9.6467","0.0004","12.7276","0.0006","20.804","0.001","90","","90.129","0.001","90","","2554.3","0.2","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","chlorobis(η5-pentamethylcyclopentadienyl)-p- chloroanilideuranium(IV)","","- C26 H35 Cl2 N U -","- C26 H20 Cl2 N U -","- C104 H80 Cl8 N4 U4 -","4","1","FR1192","Peters, R. Gregory; Scott, Brian L.; Burns, Carol J.","Chloro(<i>p</i>-chloroanilido-<i>N</i>)bis(η^5^-pentamethylcyclopentadienyl)uranium(IV)","Acta Crystallographica Section C","1999","55","9","1482","1483","10.1107/S0108270199007143","","","0.71073","MoKα","","0.03","0.024","","","","0.064","","","","","","1.272","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008900","13.979","0.003","4.689","0.001","16.239","0.003","90","","107.279","0.004","90","","1016.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-di-{[m-(1,3-dioxane)benzene]}propane","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","FR1202","Jene, Paul G.; Ibers, James A.","Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins","Acta Crystallographica Section C","1999","55","9","1593","1595","10.1107/S010827019900788X","","","0.71073","MoKα","","0.1","0.04","","","","0.09","","","","","","0.81","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008901","26.064","0.005","8.696","0.002","11.943","0.002","90","","103.604","0.004","90","","2631","0.9","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-di-(1,3 dioxane)benzene","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","1","FR1202","Jene, Paul G.; Ibers, James A.","Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins","Acta Crystallographica Section C","1999","55","9","1593","1595","10.1107/S010827019900788X","","","0.71073","MoKα","","0.137","0.041","","","","0.077","","","","","","0.723","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008902","14.898","0.001","9.19","0.002","15.525","0.002","90","","90","","90","","2125.6","0.6","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H26 O6 -","- C22 H25.998 O6 -","- C88 H103.992 O24 -","4","0.5","FR1207","Dobson, Allison J.; Gerkin, Roger E.","C—H···O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate","Acta Crystallographica Section C","1999","55","9","1496","1499","10.1107/S0108270199007891","","","0.71073","MoKα","","","0.055","","","","0.074","","","","","","1.35","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008903","7.74","0.001","7.948","0.002","9.984","0.001","84.25","0.01","77.38","0.01","61.02","0.01","524.3","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","quinolinium-4-carboxylic acid chloride monohydrate","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","FR1208","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate","Acta Crystallographica Section C","1999","55","9","1499","1503","10.1107/S0108270199006885","","","0.71073","MoKα","","","0.039","","","","0.096","","","","","","1.93","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008904","4.2969","0.0006","10.785","0.002","11.36","0.001","85","0.01","82.99","0.01","89.48","0.01","520.52","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","quinolinium-4-carboxylic acid chloride monohydrate","","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C20 H20 Cl2 N2 O6 -","2","1","FR1208","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate","Acta Crystallographica Section C","1999","55","9","1499","1503","10.1107/S0108270199006885","","","0.71073","MoKα","","","0.04","","","","0.09","","","","","","1.95","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008905","15.689","0.006","11.025","0.006","17.641","0.009","90","","113.69","0.07","90","","2794","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexachlorotetra(tetrahydrofuran)(μ-oxo)dizirconium","","- C16 H32 Cl6 O5 Zr2 -","- C16 H32 Cl6 O5 Zr2 -","- C64 H128 Cl24 O20 Zr8 -","4","0.5","GD1009","Guan, Jingwen; Siebel, Eric; Fischer, R. Dieter","μ-Oxo-bis[<i>mer</i>-trichlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)]","Acta Crystallographica Section C","1999","55","9","1449","1451","10.1107/S0108270199007532","","","0.71073","MoKα","","0.0504","0.0436","","0.1159","0.1104","","","","1.241","1.273","1.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008906","12.6512","0.001","8.708","0.0006","17.0124","0.0012","90","","106.314","0.006","90","","1798.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium di-aquo ethylenediaminetetraacetate scandiumate trihydrate.","","- C10 H26 N3 O13 Sc -","- C10 H26 N3 O13 Sc -","- C40 H104 N12 O52 Sc4 -","4","1","GD1032","Zhang, Ya-Wen; Wang, Zhe-Ming; Jia, Jiang-Tao; Liao, Chun-Sheng; Yan, Chun-Hua","Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate","Acta Crystallographica Section C","1999","55","9","1418","1420","10.1107/S0108270199008057","","","0.71073","MoKα","","0.055","0.045","","","","0.152","","","","","","1.085","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008907","6.293","0.003","10.255","0.002","22.172","0.005","90","","96.17","0.03","90","","1422.6","0.8","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","Cholest-5-enyl-3β,4β-diacetate","Cholest-5-ene-3β,4β-diyl diacetate","","- C31 H50 O4 -","- C31 H50 O4 -","- C62 H100 O8 -","2","1","GD1035","Kennedy, Alan R.; Pitt, Andrew R.; Suckling, Colin J.; Suckling, Keith E.; Thomas, Michael","Cholest-5-ene-3β,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","9","1570","1572","10.1107/S0108270199006770","","","0.71069","MoKα","","0.092","0.057","","","","0.147","","","","","","1.052","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008908","5.9096","0.0011","9.9845","0.0017","14.394","0.003","95.053","0.017","93.762","0.019","99.544","0.017","831.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","[(Cu2Cl3)](H2bpds)(BF4)","Hexachlorodicuprate(II) Bis[bis(4-pyridinium)disulfide] Bis(tetrafluoroborate)","","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","- C20 H20 B2 Cl6 Cu2 F8 N4 S4 -","1","0.5","GD1036","Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E.B.","Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate)","Acta Crystallographica Section C","1999","55","9","1422","1425","10.1107/S0108270199006836","","","0.71073","MoKα","","0.0681","0.0454","","","","0.0816","","","","","","1.18","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008909","9.6855","0.0011","12.775","0.003","16.053","0.006","67.29","0.03","87.64","0.017","85.75","0.017","1827.1","0.9","290","1","290","1","","","","","","","","4","P -1","-P 1","2","Dicyclohexyl-N-(3-pyridinylcarbonyl)urea","N,N`-dicyclohexyl-N-(3-pyridinylcarbonyl)urea","","- C19 H27 N3 O2 -","- C19 H27 N3 O2 -","- C76 H108 N12 O8 -","4","2","GD1039","Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.","Intermolecular N—H···N and C—H···O interactions from one-dimensional chains comprising the two independent molecues of <i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>-nicotinoylurea","Acta Crystallographica Section C","1999","55","9","1607","1610","10.1107/S0108270199007544","","","0.7107","MolybdenumKα","","0.1529","0.0467","","","","0.1107","","","","","","0.871","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008910","7.873","0.002","8.985","0.002","10.412","0.002","101.55","0.03","104.51","0.03","103.52","0.03","666.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)","","- C5 H14 Cl4 N3 Sb -","- C5 H14 Cl4 N3 Sb -","- C10 H28 Cl8 N6 Sb2 -","2","1","GD1040","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","1999","55","9","1443","1447","10.1107/S0108270199008264","","","0.71073","MoKα","","0.043","0.035","","","","0.096","","","","","","1.244","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008911","7.818","0.002","8.849","0.002","10.333","0.002","101.18","0.03","104.81","0.03","103.72","0.03","646.3","0.3","92","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3‒Tetramethylguanidinum tetrachloroantimonate(III)","","- C5 H14 Cl4 N3 Sb -","- C5 H14 Cl4 N3 Sb -","- C10 H28 Cl8 N6 Sb2 -","2","1","GD1040","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","1999","55","9","1443","1447","10.1107/S0108270199008264","","","0.71073","MoKα","","0.023","0.02","","","","0.052","","","","","","1.11","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008912","7.209","0.001","7.9527","0.0007","17.414","0.003","90","","90.64","0.01","90","","998.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Polyphosphate de strontium Sr(PO~3~)~2~ forme β","","- O6 P2 Sr -","- O6 P2 Sr -","- O48 P16 Sr8 -","8","2","GS1011","Graia, Mohsen; Driss, Ahmed; Jouini, Tahar","Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ","Acta Crystallographica Section C","1999","55","9","1395","1398","10.1107/S0108270199003637","","","0.71069","MoKα","","0.0553","0.0336","","0.0861","0.0696","","","","1.137","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008913","4.498","0.001","10.911","0.003","10.375","0.003","90","","91.56","0.02","90","","509","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Polyphosphate de strontium Sr(PO~3~)~2~ forme γ","","- O6 P2 Sr -","- O6 P2 Sr -","- O24 P8 Sr4 -","4","1","GS1011","Graia, Mohsen; Driss, Ahmed; Jouini, Tahar","Polyphosphates de strontium Sr(PO~3~)~2~ formes β et γ","Acta Crystallographica Section C","1999","55","9","1395","1398","10.1107/S0108270199003637","","","0.71069","MoKα","","0.0459","0.0332","","0.0982","0.0898","","","","1.13","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008914","10.713","0.003","13.569","0.004","28.27","0.009","90","","90","","90","","4109","2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O5 S -","- C19 H31 N O5 S -","- C152 H248 N8 O40 S8 -","8","2","GS1037","Marchand, Patrice; Masson, Serge; Rachinel, Denis; Saint-Clair, Jean-François; Averbuch-Pouchot, Marie-Thérèse","2-(2,3:5,6-Di-<i>O</i>-isopropylidene-β-<small>D</small>-mannofuranosyl)-<i>N</i>,<i>N</i>-(pentamethylene)ethanethioamide","Acta Crystallographica Section C","1999","55","9","1533","1534","10.1107/S0108270199006459","","","0.7107","MoKα","","0.043","0.043","","0.0416","","0.0416","","","1.829","","","1.829","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008915","8.8118","0.0004","11.606","0.0006","12.1748","0.0007","115.234","0.002","107.66","0.003","95.643","0.003","1035.11","0.1","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 O -","- C26 H24 N4 O -","- C52 H48 N8 O2 -","2","1","GS1040","Aatif, A.; Baouid, A.; Hasnaoui, H.; Benharref, A.; Pierrot, M.","8-Méthyl-1,3-diphényl-4,5,6,6a,7,8-hexahydrocyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>]benzodiazépin-7-one","Acta Crystallographica Section C","1999","55","9","1528","1530","10.1107/S0108270199006897","","","0.71073","MoKα","","","0.05","","","","0.078","","","","","","1.268","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008916","10.17","0.001","12.897","0.001","9.801","0.001","90","","105.358","0.001","90","","1239.6","0.2","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","GS1041","Kakou-Yao, R.; Saba, A.; Ebby, N.; Pierrot, M.; Aycard, J. P.","Tautomérie de la 4-(hydroxyphénylméthylène) isochroman-1,3 dione à l'état solide","Acta Crystallographica Section C","1999","55","9","1591","1593","10.1107/S0108270199006782","","","0.71073","MoKα","","","0.042","","","","0.074","","","","","","0.994","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008917","21.031","0.003","8.201","0.0008","9.215","0.001","90","","90","","90","","1589.4","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Trichloro[(Z)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","","- C14 H10 Cl4 Te -","- C14 H10 Cl4 Te -","- C56 H40 Cl16 Te4 -","4","1","GS1044","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Santos, Rute A.; Caracelli, I.","Trichloro[(<i>Z</i>)-2-chloro-1,2-diphenylvinyl]tellurium(IV)","Acta Crystallographica Section C","1999","55","9","1577","1579","10.1107/S0108270199006964","","","0.71073","MoKα","","0.066","0.03","","","","0.069","","","","","","1.09","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008918","11.2868","0.0006","30.877","0.002","11.9177","0.0006","90","","92.746","0.003","90","","4148.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 La N7 O15 -","- C30 H60 La N7 O15 -","- C120 H240 La4 N28 O60 -","4","1","GS1046","Thuéry, Pierre; Nierlich, Martine; Charbonnel, Marie-Christine; Dognon, Jean-Pierre","Bis[2-(2-ethoxyethyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraethylmalondiamide-<i>O</i>^1^,<i>O</i>^3^]tris(nitrato-<i>O</i>,<i>O</i>')lanthanum(III)","Acta Crystallographica Section C","1999","55","9","1434","1436","10.1107/S0108270199008215","","","0.71073","MoKα","","0.052","0.035","","0.12","","0.076","","","1.131","","","1.06","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008919","9.6477","0.0001","14.9004","0.0002","18.0803","0.0003","75.92","0.001","84.206","0.001","75.546","0.001","2439.01","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Intramolecular N-H...π(Phenyl) and Intermolecular C-H...π(Phenyl) Interaction in 5-Amino-8-cyano-2-phenyl-4(4-methoxy-phenyl-7- (piperidine-1-yl)-1,6-Naphthyridine","","- C30 H28 N5 O -","- C30 H28 N5 O -","- C120 H112 N20 O4 -","4","2","HA1253","R. Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; V. Raghukumar; V.T. Ramakrishnan","Intramolecular N—H···π(phenyl) and intermolecular C—H···π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile‒benzene(2/1)","Acta Crystallographica Section C","1999","55","9","1522","1524","10.1107/S0108270199005879","","","0.71073","MoKα","","0.1044","0.0658","","","","0.1833","","","","","","1.073","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008920","8.0589","0.0006","9.2783","0.0007","10.0365","0.0008","81.755","0.005","87.512","0.005","67.632","0.005","686.77","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Cu F6 N8 P -","- C24 H44 Cu F6 N8 P -","- C24 H44 Cu F6 N8 P -","1","0.5","HA1257","Hubin, Timothy J.; Alcock, Nathaniel W.; Clase, Howard J.; Busch, Daryle H.","A complex containing Cu^I^ linearly coordinated by two tetracyclic tetraamines","Acta Crystallographica Section C","1999","55","9","1402","1403","10.1107/S0108270199006423","","","0.71073","MoKα","","0.052","0.04","","","0.089","0.092","","","","1","1","0.916","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008921","10.262","0.002","12.073","0.002","12.357","0.003","90","","92.47","0.03","90","","1529.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) sulfate","","- C10 H16 Cd N2 O8 S -","- C10 H16 Cd N2 O8 S -","- C40 H64 Cd4 N8 O32 S4 -","4","1","HA1260","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú","Tetraaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II) sulfate and <i>catena</i>-poly[[[diaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] hydrate]","Acta Crystallographica Section C","1999","55","9","1457","1460","10.1107/S0108270199007982","","","0.71073","MoKα","","0.045","0.035","","0.102","","0.095","","","1.016","","","1.046","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008922","20.998","0.004","6.823","0.001","20.001","0.004","90","","94.88","0.03","90","","2855.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Catena-((mu!2$-Sulfato-O,O')-diaqua-(2,2'-bipyridyl-N,N'))-cadmium(ii) monohydrate","","- C10 H14 Cd N2 O7 S -","- C10 H11.5 Cd N2 O7 S -","- C80 H92 Cd8 N16 O56 S8 -","8","2","HA1260","Miguel Harvey; Sergio Baggio; Ricardo Baggio; Alvaro Mombrú","Tetraaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II) sulfate and <i>catena</i>-poly[[[diaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] hydrate]","Acta Crystallographica Section C","1999","55","9","1457","1460","10.1107/S0108270199007982","","","0.71073","MoKα","","0.094","0.047","","0.144","","0.119","","","0.974","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008923","10.3098","0.0013","8.4972","0.0008","11.4264","0.0013","90","","90","","90","","1001","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-chloro-1-(4,5-dinitroimidazolyl)propan-2-ol","","- C6 H7 Cl N4 O5 -","- C6 H7 Cl N4 O5 -","- C24 H28 Cl4 N16 O20 -","4","1","JZ1330","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 42. Über Nitropiperidinoimidazolderivate","Acta Crystallographica Section C","1999","55","9","1562","1565","10.1107/S0108270199005880","","","1.54178","CuKα","","0.038","0.037","","","","0.108","","","1.089","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008924","10.763","0.001","16.052","0.002","16.634","0.002","75.87","0.01","82.88","0.01","89.91","0.01","2764.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-1-(4-nitro-5-piperidinylimidazolyl)propan-2-ol","","- C11 H17 Cl N4 O3 -","- C11 H17 Cl N4 O3 -","- C88 H136 Cl8 N32 O24 -","8","4","JZ1330","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 42. Über Nitropiperidinoimidazolderivate","Acta Crystallographica Section C","1999","55","9","1562","1565","10.1107/S0108270199005880","","","1.54178","CuKα","","0.06","0.045","","","","0.147","","","1.082","","","1.173","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008925","13.327","0.003","8.672","0.002","14.382","0.003","90","","98.23","0.01","90","","1645","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 I Se -","- C18 H15 I Se -","- C72 H60 I4 Se4 -","4","1","JZ1353","Fleischer, Holger; Schollmeyer, Dieter","Triphenylselenonium iodide","Acta Crystallographica Section C","1999","55","9","1572","1573","10.1107/S0108270199008033","","","0.71073","MoKα","","0.074","0.041","","","0.093","0.105","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008926","9.201","0.001","10.027","0.001","18.217","0.002","90","","90","","90","","1680.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N(2'[R]-2'-methyl-3'-oxo-pentanoyl)- α-D-xylofuranosylamine'","","- C15 H21 N O7 -","- C15 H21 N O7 -","- C60 H84 N4 O28 -","4","1","JZ1359","Kopf, Jürgen; Lützen, Arne; Köll, Peter","1-<i>N</i>,2-<i>O</i>-Carbonyl-3,5-<i>O</i>-isopropylidene-1-<i>N</i>-[(2<i>R</i>)-2-methyl-3-oxopentanoyl]-α-<small>D</small>-xylofuranosylamine","Acta Crystallographica Section C","1999","55","9","1541","1542","10.1107/S0108270199007210","","","1.54178","CuKα","","0.039","0.036","","","","0.103","","","","","","1.075","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008927","19.305","0.002","5.958","0.001","23.847","0.002","90","","91.989","0.008","90","","2741.2","0.6","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C120 H88 Cl16 N8 O8 -","8","1","KA1319","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri","3,3-Dichloro-1,4-diphenylazetidin-2-one","Acta Crystallographica Section C","1999","55","9","1511","1512","10.1107/S0108270199006095","","","0.7107","MoKα","","0.057","0.057","","0.057","","0.057","","","0.949","","","0.95","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008928","12.157","0.003","12.157","0.003","8.05","0.002","90","","90","","120","","1030.3","0.4","294","2","294","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","1.5418","CuKα","","0.028","0.027","","","","0.088","","","","","","1.546","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008929","12.0864","0.0015","12.0864","0.0015","7.9291","0.0011","90","","90","","120","","1003.1","0.2","135","2","135","2","","","","","","","","3","P 32","P 32","145","isocurcumenol","3S-(3α,3aα,6α,8aβ)-Octahydro-3-methyl-8-methylene-5-(1-methylethylidene)- 6H-3a,6-epoxyazulen-6-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C45 H66 O6 -","3","1","KA1324","Jan W. Bats; Öhlinger, Stefan H.","Absolute configuration of isocurcumenol","Acta Crystallographica Section C","1999","55","9","1595","1598","10.1107/S0108270199006101","","","0.71073","MoKα","","0.038","0.034","","","","0.095","","","","","","1.193","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008930","8.5158","0.0008","7.0115","0.0006","10.9335","0.0013","90","","97.375","0.012","90","","647.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","9-(2'-Deoxy-α-D-ribofuranosyl)-7-iodo-7-deazaadenine","","","- C11 H13 I N4 O3 -","- C11 H13 I N4 O3 -","- C22 H26 I2 N8 O6 -","2","1","KA1326","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","9-(2-Deoxy-α-<small>D</small>-ribofuranosyl)-7-iodo-7-deazaadenine","Acta Crystallographica Section C","1999","55","9","1560","1562","10.1107/S0108270199006538","","","0.71073","MoKα","","0.0232","0.0226","","","","0.0569","","","","","","1.051","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008931","24.83","0.002","9.642","0.002","9.176","0.006","90","","90","","90","","2196.8","1.5","293.2","","293.2","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","0.5","KA1327","Elerman, Yalçin; Kabak, Mehmet; Kara, Hülya; Güven, Kutalmıs̨; Naki̇poǧlu, Canan","3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate","Acta Crystallographica Section C","1999","55","9","1508","1511","10.1107/S0108270199007192","","","0.7107","MoKα","","0.088","0.05","","","","0.16","","","","","","0.96","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008932","9.07","0.003","10.974","0.005","12.102","0.004","64.85","0.03","71.36","0.03","76.37","0.03","1026.2","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)","","- C20 H38 N14 O22 S2 Th -","- C20 H38 N14 O22 S2 Th -","- C20 H38 N14 O22 S2 Th -","1","0.5","KA1328","Abram, Ulrich; Bonfada, Elida; Schulz Lang, Ernesto; Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)","Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexakis(nitrato-<i>O</i>,<i>O</i>')thorate(IV) tetramethanol solvate","Acta Crystallographica Section C","1999","55","9","1479","1482","10.1107/S0108270199007556","","","0.71073","MoKα","","0.0262","0.0256","","","","0.061","","","","","","1.057","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008933","7.214","0.001","18.34","0.001","10.418","0.001","90","","109.32","0.01","90","","1300.7","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","KA1329","Hökelek, Tuncer; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(3-hydroxybenzoato-<i>O</i>)bis(nicotinamide-<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section C","1999","55","9","1438","1440","10.1107/S0108270199006733","","","0.71073","MoKα","","","0.0511","","","","0.075","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008934","7.3785","0.0002","47.9241","0.001","5.9069","0.0002","90","","90","","90","","2088.73","0.1","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Bis{4,4'-[di-(2-carbomethoxy-5-thienyl)]} phenyl ether","","- C24 H18 O5 S2 -","- C24 H18 O5 S2 -","- C96 H72 O20 S8 -","4","","LN1085","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray","Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether","Acta Crystallographica Section C","1999","55","9","1517","1519","10.1107/S0108270199008021","","","0.71073","MoKα","","0.0369","0.0304","","","","0.0952","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008935","28.308","0.003","11.306","0.003","20.622","0.003","90","","123.5","0.02","90","","5504","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Ni(3,5-Cl4salMetrien)]","(1,4-dioxan-O) [3,3'-methyliminobis(1,3-propanediylnitrilomethylidyne)di-3'',5''-dichloroph enolate-N,N',N'',O] nickel(II)","","- C25 H29 Cl4 N3 Ni O4 -","- C25 H26 Cl4 N3 Ni O4 -","- C200 H208 Cl32 N24 Ni8 O32 -","8","1","NA1403","Gomes, Ligia; Pinho, Dora; Freire, Cristina; de Castro, Baltazar","(1,4-Dioxane-<i>O</i>){3,3',5,5'-tetrachloro-2,2'-[4-methyl-4-azaheptane-1,7-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II), [Ni(3,5-Cl~4~salMetrien)]","Acta Crystallographica Section C","1999","55","9","1425","1427","10.1107/S0108270199004588","","","0.71069","MoKα","","0.076","0.046","","0.108","","0.091","","","1.31","","","1.346","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008936","8.739","0.001","11.68","0.002","11.858","0.002","69.46","0.01","71.69","0.01","68.87","0.01","1032.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Benzoylacetone-(S-n-propylisothiosemicarbazonato)iron(III) dichloride ethanol solvate","","","- C16 H24 Cl2 Fe N3 O2 S -","- C16 H24 Cl2 Fe N3 O2 S -","- C32 H48 Cl4 Fe2 N6 O4 S2 -","2","1","NA1418","Argay, Gyula; Kálmán, Alajos; Leovac, Vukadin M.","[Fe(H<i>L</i>)Cl~2~]^.^EtOH, where H<i>L</i> is the monoanion of benzoylacetone <i>S</i>-<i>n</i>-propylisothiosemicarbazone","Acta Crystallographica Section C","1999","55","9","1440","1443","10.1107/S0108270199007647","","","0.71073","MoKα","","0.101","0.039","","","","0.097","","","","","","0.875","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008937","18.304","0.001","10.488","0.001","14.267","0.001","90","","123.79","0.001","90","","2276.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9-(4H-1,2,4-triazol-4-ylimino)-4,5-diazafluorene","","- C13 H8 N6 -","- C13 H8 N6 -","- C104 H64 N48 -","8","1","NA1425","S. Shanmuga Sundara Raj; Hoong-Kun Fun; Dun-ru Zhu; Fang-Fang Jian; Koulin Zhang; Xiao-Zeng You","9-(4<i>H</i>-1,2,4-Triazol-4-ylimino)-4,5-diazafluorene","Acta Crystallographica Section C","1999","55","9","1526","1528","10.1107/S0108270199007908","","","0.71073","MoKα","","0.121","0.063","","","","0.197","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008938","16.761","0.0002","14.2287","0.0002","21.1305","0.0002","90","","97.691","0.001","90","","4994.02","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,5-Bis(2-pyridyl)-4-p-methylphenyl-4H-1,2,4-triazole bis(triphenyl phosphine) silver(I) perchlorate","","- C55 H45 Ag Cl N5 O4 P2 -","- C55 H45 Ag Cl N5 O4 P2 -","- C220 H180 Ag4 Cl4 N20 O16 P8 -","4","1","NA1429","Shao, Si-Chang; Zhu, Dun-Ru; Zhu, Xu-Hui; You, Xiao-Zeng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","[4-(4-Methylphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole]bis(triphenylphosphine)silver(I) perchlorate","Acta Crystallographica Section C","1999","55","9","1412","1413","10.1107/S0108270199008197","","","0.71073","MoKα","","0.073","0.04","","","","0.111","","","","","","1.047","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008939","10.545","0.001","9.747","0.001","5.3893","0.0005","90","","92.243","0.007","90","","553.5","0.09","298.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 N2 O4 S -","- C9 H16 N2 O4 S -","- C18 H32 N4 O8 S2 -","2","1","OA1081","Tokutake, Nobuya; Hiratake, Jun; Irie, Takayuki; Yamano, Akihito; Oda, Jun-ichi","The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase","Acta Crystallographica Section C","1999","55","9","1598","1599","10.1107/S0108270198016436","","","0.7107","MoKα","","","0.029","","","","0.084","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008940","13.006","0.001","10.648","0.001","6.619","0.001","90","","90","","90","","916.65","0.18","293","2","296.2","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","potassium niobium alminium arsenate","","- Al As1.6 K2 Nb1.4 O10 -","- Al As1.6 K2 Nb1.4 O10 -","- Al4 As6.4 K8 Nb5.6 O40 -","4","1","OH1112","Takeshi Nakagawa; Takeo Matsumoto; Valery I. Chani; Tsuguo Fukuda","K~2~NbAlO~2~[(As,Nb)O~4~]~2~, isostructural with KTiOPO~4~","Acta Crystallographica Section C","1999","55","9","1391","1393","10.1107/S0108270199005144","","","0.71069","MoKα","","","0.023","","","","0.034","","","1.991","","","1.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008941","12.386","0.003","15.837","0.002","14.515","0.003","90","","105","0.02","90","","2750.2","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","methyltriphenylphosphonium 1-thiolate-2-methyl-1,2-dicarba-closo- dodecaborane(12)","methyltriphenylphosphonium 1-sulfido-2-methyl-1,2-dicarba-closo- dodecaborane(12)","","- C22 H31 B10 P S -","- C22 H31 B10 P S -","- C88 H124 B40 P4 S4 -","4","1","OS1061","Kivekäs, Raikko; Benakki, Rajae; Viñas, Clara; Sillanpää, Reijo","Methyltriphenylphosphonium 2-methyl-1-sulfido-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1999","55","9","1581","1583","10.1107/S0108270199006307","","","0.71069","MoKα","","0.172","0.059","","","","0.161","","","","","","0.997","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008942","5.1673","0.0001","23.9998","0.0004","5.4029","0.0001","90","","112.026","0.001","90","","621.13","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-2-aminobutanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C20 H44 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.065","0.052","","0.154","","0.136","","","1.151","","","1.099","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008943","5.1639","0.0001","5.4076","0.0001","13.1241","0.0002","91.779","0.001","98.138","0.001","111.823","0.001","335.393","0.011","150","2","150","2","","","","","","","","4","P 1","P 1","1","","L-Leucine:D-2-aminopentanoic acid","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","1","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.048","0.04","","0.123","","0.114","","","1.053","","","1.083","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008944","5.1451","0.0001","28.0517","0.0005","5.4068","0.0001","90","","111.423","0.001","90","","726.44","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Leucine:D-methionine","","- C11 H24 N2 O4 S -","- C11 H24 N2 O4 S -","- C22 H48 N4 O8 S2 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.126","0.081","","","","0.173","","","","","","1.095","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008945","5.2002","0.0001","25.1334","0.0004","5.4157","0.0001","90","","110.796","0.001","90","","661.71","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine:D-valine","","- C11 H24 N2 O4 -","- C11 H24 N2 O4 -","- C22 H48 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.039","0.037","","0.102","","0.095","","","1.108","","","1.108","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008946","9.9562","0.0001","4.7417","0.0001","12.7833","0.0001","90","","106.843","0.001","90","","577.602","0.015","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valine:D-2-aminobutanoic acid","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.045","0.04","","0.108","","0.104","","","1.018","","","1.046","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008947","27.2288","0.0002","4.7397","0.0001","9.9535","0.0001","90","","96.091","0.001","90","","1277.31","0.03","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-valine:D-2-aminopentanoic acid","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C40 H88 N8 O16 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.04","0.034","","0.102","","0.097","","","1.095","","","1.11","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008948","28.9379","0.0002","4.7032","0.0001","10.0011","0.0001","90","","90","","90","","1361.16","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-valine:D-methionine","","- C10 H22 N2 O4 S -","- C10 H22 N2 O4 S -","- C40 H88 N8 O16 S4 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.07","0.052","","0.117","","0.109","","","1.133","","","1.168","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008949","18.093","0.003","5.093","0.002","13.358","0.002","90","","105.48","0.02","90","","1186.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 N^6^,N^6^-Dimethyladenine:Tetraiodoethene","","- C16 H18 I4 N10 -","- C8 H9 I2 N5 -","- C32 H36 I8 N20 -","4","1","OS1064","Dahl, Tor","<i>N</i>^6^,<i>N</i>^6^-Dimethyladenine‒tetraiodoethene (2/1)","Acta Crystallographica Section C","1999","55","9","1568","1570","10.1107/S0108270199006472","","","0.7107","MoKα","","0.0516","0.0303","","","","0.0832","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008950","6.676","0.005","24.324","0.007","17.66","0.01","90","","95.87","0.06","90","","2853","3","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N5 O8.5 -","- C26 H32 Cl N5 O8.5 -","- C104 H128 Cl4 N20 O34 -","4","1","QA0146","Vyas, K.; Moses Babu, J.; Om Reddy, G.","Domperidone maleate","Acta Crystallographica Section C","1999","55","9","IUC9900104","","10.1107/S010827019909887X","","","1.5418","CuKα","","0.085","0.062","","0.082","","0.078","","","1.807","","","1.964","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008951","11.607","0.002","20.097","0.005","10.449","0.004","90","","90","","90","","2437.4","1.2","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N2 O3 -","- C24 H42 N2 O3 -","- C96 H168 N8 O12 -","4","1","QA0147","Moses Babu,J.; Ravindra Kumar, Y.; Vyas, K.; Om Reddy, G.; Rajan, S. T.; Reddy, M. S. N.","<i>N</i>-<i>tert</i>-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity","Acta Crystallographica Section C","1999","55","9","IUC9900105","","10.1107/S0108270199098868","","","1.5418","CuKα","","0.101","0.081","","0.12","","0.114","","","1.862","","","1.976","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008952","7.2989","0.0001","9.2859","0.0001","12.4017","0.0001","89.4709","0.0003","87.8567","0.0002","70.768","0.0003","793.08","0.015","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C18.5 H26 O2.5 -","- C18.5 H26 O2.5 -","- C37 H52 O5 -","2","2","QA0149","Parrish, Damon A.; Pinkerton, A. Alan","Estradiol methanol hemisolvate","Acta Crystallographica Section C","1999","55","9","IUC9900100","","10.1107/S0108270199098856","","","0.71073","MoKα","","0.082","0.043","","","","0.116","","","","","","0.941","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008953","14.373","0.007","11.078","0.007","16.788","0.008","90","","107.67","0.05","90","","2547","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate","[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate","","- C26 H20 F6 N5 O2 P Ru -","- C26 H20 F6 N5 O2 P Ru -","- C104 H80 F24 N20 O8 P4 Ru4 -","4","1","QA0150","Lashgari, Kianosh; Norrestam, Rolf; Åkermark, Björn","Bis(2,2'-bipyridine)(pyridine-2-carboxylate)ruthenium(II) hexafluorophosphate at 173K","Acta Crystallographica Section C","1999","55","9","IUC9900108","","10.1107/S0108270199098881","","","0.71073","MoKα","","0.062","0.036","","","","0.105","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008954","11.078","0.002","12.869","0.002","28.77","0.005","90","","100.17","0.01","90","","4037.1","1.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Octacarbonyl-μ-dicyclohexylphosphido-dirhenium-silver-triphenylphosphane","","- C38 H37 Ag O8 P2 Re2 -","- C38 H37 Ag O8 P2 Re2 -","- C152 H148 Ag4 O32 P8 Re8 -","4","1","QA0152","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>:<i>P</i>-triphenylphosphine-2κ<i>P</i>-silverdirhenium(2 <i>Re</i>—<i>Ag</i>)","Acta Crystallographica Section C","1999","55","9","IUC9900106","","10.1107/S010827019909890X","","","0.71073","MoKα","","0.086","0.048","","","","0.077","","","","","","1.165","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008955","16.283","0.001","10.694","0.001","15.038","0.002","90","","91.443","0.009","90","","2617.7","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate","","- C28 H25 Cl2 N3 Sn -","- C28 H25 Cl2 N3 Sn -","- C112 H100 Cl8 N12 Sn4 -","4","0.5","QA0153","Ng, Seik Weng","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1999","55","9","IUC9900098","","10.1107/S0108270199098923","","","0.71073","MoKα","","0.0513","0.0484","","","","0.1449","","","","","","1.141","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008956","18.8548","0.0008","10.9063","0.0007","17.591","0.002","90","","99.678","0.005","90","","3565.9","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,2'-Iminodipyridinium(1+) bis(trifluoroacetato)tricyclohexylstannate","","- C32 H43 F6 N3 O4 Sn -","- C32 H43 F6 N3 O4 Sn -","- C128 H172 F24 N12 O16 Sn4 -","4","0.5","QA0153","Ng, Seik Weng","2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1999","55","9","IUC9900098","","10.1107/S0108270199098923","","","0.71073","MoKα","","0.0678","0.0587","","","","0.1732","","","","","","1.079","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008957","8.409","0.004","9.327","0.004","18.144","0.007","78.555","0.014","76.85","0.02","70.5","0.02","1294.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bromo (1,10-Phenanthroline-N,N') (Triphenylphosphine) Copper(I)","","- C30 H23 Br Cu N2 P -","- C30 H23 Br Cu N2 P -","- C60 H46 Br2 Cu2 N4 P2 -","2","1","QA0154","Jin, Qiong-Hua; Xin, Xiu-Lan; Zhu, Fu-Jiang","Bromo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I)","Acta Crystallographica Section C","1999","55","9","IUC9900107","","10.1107/S0108270199098893","","","0.71073","MoKα","","","0.037","","","","0.086","","","","","","0.948","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008958","7.1535","0.0009","5.5819","0.001","5.3279","0.0004","90","","89.934","0.008","90","","212.74","0.05","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","Disodium zinc germanate","Disodium zinc germanium tetraoxide","","- Ge Na2 O4 Zn -","- Ge Na2 O4 Zn -","- Ge2 Na4 O8 Zn2 -","2","1","QA0155","Healey, Adam M.; Webster, Michael; Weller, Mark T.","Disodium zinc germanium tetraoxide","Acta Crystallographica Section C","1999","55","9","IUC9900099","","10.1107/S0108270199098935","","","0.71073","MoKα","","0.023","0.022","","","","0.054","","","","","","1.259","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008959","23.7306","0.0014","11.9542","0.0012","17.468","0.003","90","","95.597","0.019","90","","4931.7","1","294","1","294","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Bis(triphenylphosphine)bis(tert-butylisocyanide)rhodium(I) nido-7,8-dicarbaundecaborane.","","- C48 H60 B9 N2 P2 Rh -","- C46 H60 B11.402 N2 P2 Rh -","- C184 H240 B45.608 N8 P8 Rh4 -","4","0.5","QA0156","Ferguson, George; McEneaney, Patricia A.; Spalding, Trevor R.","<i>trans</i>-Bis(<i>tert</i>-butylisocyanido-<i>C</i>)bis(triphenylphosphine-<i>P</i>)rhodium(I) <i>nido</i>-7,8-dicarbaundecarboranide","Acta Crystallographica Section C","1999","55","9","IUC9900103","","10.1107/S0108270199098911","","","0.71073","MoKα","","0.049","0.034","","","","0.09","","","","","","1.194","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008960","6.1965","0.0012","13.025","0.003","10.419","0.002","90","","103.88","0.03","90","","816.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl viologen diiodide","N,N'-diethyl-4,4'-bipyridinium diiodide","","- C14 H18 I2 N2 -","- C14 H18 I2 N2 -","- C28 H36 I4 N4 -","2","0.5","QA0157","Eckert, Nathan A.; Krause Bauer, Jeanette A.; Connick, William B.","<i>N</i>,<i>N</i>'-Diethyl-4,4'-bipyridinium diiodide","Acta Crystallographica Section C","1999","55","9","IUC9900101","","10.1107/S0108270199098844","","","0.71073","MoKα","","0.033","0.027","","0.073","","0.068","","","","","","1.112","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008961","12.951","0.003","9.977","0.002","11.131","0.002","90","","113.52","0.03","90","","1318.8","0.6","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,6,6-tetramethyl-4-(methylsulfonyl-oxyl)-1-piperidinooxy","","- C10 H20 N O4 S -","- C10 H20 N O4 S -","- C40 H80 N4 O16 S4 -","4","1","QA0158","Homrighausen, Craig L.; Krause Bauer, Jeanette A.","2,2,6,6-Tetramethyl-4-(methylsulfonyloxy)piperidinyl 1-oxide","Acta Crystallographica Section C","1999","55","9","IUC9900102","","10.1107/S0108270199098832","","","0.71073","MoKα","","0.091","0.053","","","","0.129","","","","","","1.073","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008962","8.043","0.001","13.288","0.002","17.629","0.002","90","","96.34","0.03","90","","1872.6","0.4","291","1","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 O5 -","- C20 H20 Cl2 O5 -","- C80 H80 Cl8 O20 -","4","1","QA0159","Meinhardt, Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Dimethyl 2-(5,8-dichloro-10-oxotricyclo[7.3.2.0^2,7^]tetradeca-2(7),3,5,11-tetraen-6-ylmethyl)malonate","Acta Crystallographica Section C","1999","55","9","IUC9900110","","10.1107/S0108270199098820","","","0.71069","MoKα","","0.056","0.04","","","","0.112","","","","","","1.013","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008963","9.8615","0.0001","10.6446","0.0002","13.6513","0.0001","90","","90","","90","","1433","0.03","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tert-Butylhydrazine hydrochloride","t-Butylhydrazine hydrochloride","","- C4 H13 Cl N2 -","- C4 H13 Cl N2 -","- C32 H104 Cl8 N16 -","8","1","QA0162","Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian","Redetermination of <i>tert</i>-butylhydrazinium chloride","Acta Crystallographica Section C","1999","55","9","IUC9900109","","10.1107/S0108270199098819","","","0.71073","MoKα","","0.035","0.029","","","","0.081","","","","","","1.074","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008964","5.6779","0.001","6.3017","0.0011","20.48","0.003","88.37","0.011","86.483","0.007","70.162","0.011","688","0.2","134","2","134","2","","","","","","","","3","P -1","-P 1","2","","(±)-(3'aα,3'bα,6'aα,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","QA0163","Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann","(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-<i>b</i>]furan]-2'-one","Acta Crystallographica Section C","1999","55","9","IUC9900111","","10.1107/S0108270199098807","","","0.71073","MoKα","","0.045","0.039","","","","0.125","","","","","","1.557","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008965","6.6228","0.0015","21.651","0.003","9.5738","0.0012","90","","100.106","0.014","90","","1351.5","0.4","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(3'aα,3'bβ,6'aβ,7'aα)-octahydro-5,5-dimethyl-spiro[1,3-dioxane- 2,5'(2'H)pentaleno[2,1-b]furan]-2'-one","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","QA0163","Bats, Jan W.; Öhlinger, Stefan H.; Mulzer, Johann","(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-<i>b</i>]furan]-2'-one","Acta Crystallographica Section C","1999","55","9","IUC9900111","","10.1107/S0108270199098807","","","0.71073","MoKα","","0.081","0.05","","","","0.127","","","","","","1.289","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008966","4.7711","0.0007","12.4592","0.001","14.9907","0.0013","90","","94.37","0.01","90","","888.52","0.17","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl6 Cu N2 O2 -","- C12 H10 Cl6 Cu N2 O2 -","- C24 H20 Cl12 Cu2 N4 O4 -","2","0.5","SK1268","Gökağaç, Gülsün; Tatar, Leyla; Kısakürek, Duygu; Ülkü, Dinçer","Diamminebis(2,4,6-trichlorophenolato)copper(II)","Acta Crystallographica Section C","1999","55","9","1413","1416","10.1107/S0108270199006447","","","0.71073","MoKα","","","0.0314","","","","0.0379","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008967","14.945","0.002","14.945","0.002","39.572","0.002","90","","90","","90","","8838.5","1.7","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(2S,3S,9S,10S)-2,3,9,10-Tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-d ione","","- C34 H32 O6 -","- C34 H32 O6 -","- C408 H384 O72 -","12","1.5","SK1289","Choong Eui Song; Yang Hee Kim; Kwan Mook Kim; Dae Yoon Chi; Jong Hwa Jeong","Cocrystallization of two conformers of (2<i>S</i>,3<i>S</i>,9<i>S</i>,10<i>S</i>)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione","Acta Crystallographica Section C","1999","55","9","1574","1575","10.1107/S0108270199006976","","","0.71073","MoKα","","0.1353","0.0468","","","","0.1496","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008968","8.6086","0.0003","11.5661","0.0004","14.765","0.0005","90","","91.554","0.001","90","","1469.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Phenyl(diisopropylamino)-chlorophosphine sulphide","","- C12 H19 Cl N P S -","- C12 H19 Cl N P S -","- C48 H76 Cl4 N4 P4 S4 -","4","1","SK1290","S.Renganayaki; E.Subramanian; S.Shanmuga Sundara Raj; Hoong-Kun Fun","Chloro(diisopropylamino)(phenyl)phosphine sulfide","Acta Crystallographica Section C","1999","55","9","1525","1526","10.1107/S0108270199006435","","","0.71073","MoKα","","0.1601","0.0619","","","","0.125","","","","","","1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008969","11.4095","0.0009","12.3701","0.0006","13.1335","0.001","90","","92.864","0.009","90","","1851.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pyrazole-N^2^)(2,2-dimethyl-N-salicylideneglycinato-O,N,O')copper(II) pyrazole solvate","","- C34 H38 Cu2 N10 O6 -","- C34 H38 Cu2 N10 O6 -","- C68 H76 Cu4 N20 O12 -","2","0.5","SK1292","Elizabeth Hill; Warda, Salam A.","Dimeric (pyrazole-<i>N</i>^2^)(<i>N</i>-salicylidene-2,2-dimethylglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) pyrazole solvate","Acta Crystallographica Section C","1999","55","9","1431","1434","10.1107/S0108270199006988","","","0.71073","MoKα","","","0.0307","","","","0.0743","","","","","","0.946","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008970","9.6826","0.0011","14.378","0.003","14.797","0.003","63.17","0.06","83.25","0.11","80.17","0.1","1809.3","1.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dihydroxybenzoic acid‒4,4'-bipyridine (2/3)","","- C44 H36 N6 O8 -","- C44 H36 N6 O8 -","- C88 H72 N12 O16 -","2","1","SK1293","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Linking of <i>C</i>^4^~4~(32)[<i>R</i>^4^~4~(30)] chains of rings in the hydrogen-bonded adduct 3,5-dihydroxybenzoic acid‒4,4'-bipyridine (2/3) by means of π···π stacking interactions","Acta Crystallographica Section C","1999","55","9","1489","1492","10.1107/S0108270199006319","","","0.71073","MoKα","","0.138","0.056","","","","0.134","","","","","","0.932","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008971","7.839","0.002","5.99","0.001","8.244","0.002","90","","116.88","0.01","90","","345.28","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N -","- C9 H7 N -","- C18 H14 N2 -","2","0.5","SK1296","Hensen, Karl; Mayr-Stein, Ralf; Bolte, Michael","Isoquinoline","Acta Crystallographica Section C","1999","55","9","1565","1567","10.1107/S0108270199006320","","","0.71073","MoKα","","0.0517","0.047","","","","0.1331","","","","","","1.092","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008972","19.249","0.0006","7.3915","0.0004","12.6587","0.0006","90","","92.554","0.003","90","","1799.28","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Hydroxyisophthalic acid‒4,4'-trimethylenedipyridine (1/1)","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","SK1297","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Four interpenetrating three-dimensional frameworks in the hydrogen-bonded structure of 5-hydroxyisophthalic acid‒4,4'-trimethylenedipyridine (1/1)","Acta Crystallographica Section C","1999","55","9","1486","1489","10.1107/S0108270199006356","","","0.71073","MoKα","","0.081","0.046","","","","0.116","","","","","","1.025","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008973","7.3437","0.0003","24.6375","0.0008","7.4493","0.0003","90","","93.295","0.001","90","","1345.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3-methyl-1-hydroxy-2(1H)-pyridinethioato-O,S]nickel(II)","","- C12 H12 N2 Ni O2 S2 -","- C12 H12 N2 Ni O2 S2 -","- C48 H48 N8 Ni4 O8 S8 -","4","1","SK1298","S. Shanmuga Sundara Raj; Hoong-Kun Fun; De-Zhong Niu; Zai-Sheng Lu; Bai-Wang Sun; Bao-Lin Song; Xiao-Zeng You","Bis[1-hydroxy-3-methylpyridine-2(1<i>H</i>)-thionato-<i>O</i>,<i>S</i>]nickel(II)","Acta Crystallographica Section C","1999","55","9","1410","1411","10.1107/S010827019900699X","","","0.71073","MoKα","","0.062","0.055","","","","0.148","","","","","","1.107","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008974","7.623","0.0001","9.978","0.0001","19.1161","0.0001","90","","99.73","0.001","90","","1433.1","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(4-chlorobenzyl)-2-oxa-1-cyclohexanecarboxylate (I)","","- C15 H17 Cl O3 -","- C15 H17 Cl O3 -","- C60 H68 Cl4 O12 -","4","1","SK1299","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","9","1519","1522","10.1107/S0108270199007003","","","0.71073","MoKα","","0.067","0.044","","","","0.119","","","","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008975","11.7762","0.0003","11.8495","0.0004","13.0464","0.0004","90","","102.905","0.001","90","","1774.54","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (2R,4aR,8aR)-2-(4-chlorobenzyl)-3-oxoperhydro-2-cyclohexanecarboxylate (II)","","- C19 H23 Cl O3 -","- C19 H23 Cl O3 -","- C76 H92 Cl4 O12 -","4","1","SK1299","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2<i>RS</i>,4a<i>RS</i>,8a<i>RS</i>)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate","Acta Crystallographica Section C","1999","55","9","1519","1522","10.1107/S0108270199007003","","","0.71073","MoKα","","0.111","0.054","","","","0.139","","","","","","1.008","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008976","9.4742","0.0002","16.6161","0.0004","10.8918","0.0007","90","","90","","90","","1714.63","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Glutathione","γ-L-Glutamyl-L-cysteinyl-glycine","","- C20 H40 N6 O20 S2 -","- C20 H40 N6 O20 S2 -","- C40 H80 N12 O40 S4 -","2","0.5","SX1077","Jelsch, Christian; Didierjean, Claude","The oxidized form of glutathione","Acta Crystallographica Section C","1999","55","9","1538","1540","10.1107/S0108270199007039","","","0.56087","AgKα","","0.04","0.038","","","","0.1","","","","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008977","11.081","0.008","16.103","0.01","22.211","0.014","90","","90.38","0.03","90","","3963","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Di[Aquo Lithium Di(benzo-15-crown-5)] Tetracopper Hexaiodide","Di[Aquo Lithium Di(benzo-15-crown-5)] Tetracopper Hexaiodide","","- C56 H42 Cu4 I6 Li2 O22 -","- C56 H84 Cu4 I6 Li2 O22 -","- C112 H168 Cu8 I12 Li4 O44 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.212","0.073","","","","0.197","","","","","","0.972","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008978","10.896","0.004","16.277","0.005","22.638","0.007","90","","91.37","0.02","90","","4014","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Di[ Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide","Di[Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide","","- C56 H80 Cs2 Cu4 I6 O20 -","- C56 H80 Cs2 Cu4 I6 O20 -","- C112 H160 Cs4 Cu8 I12 O40 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.184","0.064","","","","0.181","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008979","11.303","0.002","13.926","0.002","15.268","0.003","90","","96.95","0.01","90","","2385.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium(18-crown-6) Dicopper(I) Triiodide 1.5H~2~O","Sodium(18-crown-6) Dicopper(I) Triiodide 1.5H~2~O","","- C24 H54 Cu4 I6 Na2 O15 -","- C24 H52 Cu4 I12 Na2 O15 -","- C48 H104 Cu8 I24 Na4 O30 -","2","0.5","SX1087","Aliya Nurtaeva; Elizabeth M. Holt","Aqua(benzo-15-crown-5)lithium–hexa-μ-iodotetracopper–benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper","Acta Crystallographica Section C","1999","55","9","1453","1457","10.1107/S0108270199007040","","","0.71073","MoKα","","0.155","0.047","","","","0.104","","","","","","0.852","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2008980","10.375","0.002","13.3","0.002","10.314","0.001","106.18","0.01","94.4","0.01","71.86","0.01","1298.8","0.4","297","","297.2","","","","","","","","","5","P -1","-P 1","2","[N,N'-bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium","","","- C30 H24 N2 O5 V -","- C30 H24 N2 O5 V -","- C60 H48 N4 O10 V2 -","2","1","TA1233","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","[<i>N</i>,<i>N</i>'-Bis(5-methoxysalicylidene)-1,2-diphenyl-1,2-ethenediamine]oxovanadium(IV)","Acta Crystallographica Section C","1999","55","9","1451","1453","10.1107/S0108270199006551","","","0.71073","MoKα","","","0.053","","","","0.071","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008981","7.292","0.002","14.454","0.004","9.643","0.003","90","","96.673","0.003","90","","1009.5","0.5","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 Cl2 N2 O8 -","- C3 H12 Cl2 N2 O8 -","- C12 H48 Cl8 N8 O32 -","4","1","TA1239","Brooker, Sally; de Geest, Duncan J.","Propane-1,3-diammonium diperchlorate","Acta Crystallographica Section C","1999","55","9","1589","1591","10.1107/S0108270199007246","","","0.71073","MoKα","","0.037","0.032","","","","0.082","","","","","","1.027","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008982","7.7051","0.0002","14.8671","0.0003","22.2079","0.0005","90","","90","","90","","2543.97","0.1","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,3R)-(η^6^-3-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.063","0.044","","","","0.091","","","","","","1.095","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008983","11.7885","0.0002","14.5002","0.0003","15.3639","0.0002","90","","90","","90","","2626.24","0.08","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,2R)-(η^6^-2-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.036","","","","0.093","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008984","7.7593","0.0001","27.9746","0.0003","10.2064","0.0001","90","","101.65","","90","","2169.8","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(R)-methyl 2,3-O-(1-methylethylidene)-4,6-O-[(η^6^- phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C20 H22 Cr O9 -","- C20 H22 Cr O9 -","- C80 H88 Cr4 O36 -","4","2","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.035","","","","0.084","","","","","","1.035","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008985","7.6488","0.0001","13.3096","0.0003","11.1206","0.0002","90","","100.08","","90","","1114.63","0.04","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Tricarbonyl{(S)-methyl 2,3-di-O-methyl-4,6-O-[(η^6^- 1-phenyl)ethylene]-α-D-glucopyranoside}chromium(0).","","- C20 H24 Cr O9 -","- C20 H24 Cr O9 -","- C40 H48 Cr2 O18 -","2","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.033","0.031","","","","0.087","","","","","","1.059","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008986","4.783","0.0001","7.5624","0.0002","8.569","0.0002","108.231","0.001","97.384","0.001","105.236","0.001","276.431","0.012","295","","","","","","","","","","","5","P -1","-P 1","2","","barium gallium hydrogen diphosphate (2/1/1/2)","","- Ba2 Ga H O14 P4 -","- Ba2 Ga H O14 P4 -","- Ba2 Ga H O14 P4 -","1","0.5","TA1242","Kuei-Fang Hsu; Sue-Lein Wang","Ba~2~GaH(P~2~O~7~)~2~","Acta Crystallographica Section C","1999","55","9","1400","1401","10.1107/S0108270199007568","","","0.71073","MoKα","","","0.018","","","","0.047","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008987","11.4782","0.0001","17.9393","0.0003","23.3995","0.0002","90","","101.006","0.001","90","","4729.59","0.1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 O6 P2 Pt -","- C53 H46 Cl2 O6 P2 Pt -","- C212 H184 Cl8 O24 P8 Pt4 -","4","1","TA1245","Henderson, William; Oliver, Allen G.","<i>cis</i>-Bis(phenoxyacetato-<i>O</i>)bis(triphenylphosphine-<i>P</i>)platinum(II) dichloromethane solvate","Acta Crystallographica Section C","1999","55","9","1408","1410","10.1107/S010827019900757X","","","0.71073","MoKα","","0.074","0.048","","","","0.119","","","","","","1.065","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008988","9.346","0.001","9.516","0.001","15.031","0.001","96.62","0.01","103.76","0.01","102.92","0.01","1245.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-6-chloropyridin-2-olato)-1κ^4^O,2κ^4^N- methoxy-1κO-diruthenium(II,III)(Ru—Ru)","","- C21 H15 Cl4 N4 O5 Ru2 -","- C21 H15 Cl4 N4 O5 Ru2 -","- C42 H30 Cl8 N8 O10 Ru4 -","2","1","TA1246","Youm, Kyoung-Tae; Kim, Youngmee; Jun, Moo-Jin","Tetrakis(μ-6-chloropyridin-2-olato)methoxydiruthenium(II, III)","Acta Crystallographica Section C","1999","55","9","1483","1485","10.1107/S0108270199006563","","","0.71073","MoKα","","0.031","0.028","","","","0.08","","","","","","1.132","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008989","25.1766","0.001","6.6867","0.0003","19.3304","0.0007","90","","113.807","0.003","90","","2977.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,10-dihydro-1,10-phenanthrolinium iodinium-dichlorido chloride.","","- C12 H10 Cl3 I N2 -","- C12 H10 Cl3 I N2 -","- C96 H80 Cl24 I8 N16 -","8","1","TA1249","Wang, Zhe-Ming; Wang, Yan-Qia; Liao, Chun-Sheng; Yan, Chun-Hua","1,10-Phenanthrolinium(2+) dichloroiodide(1 ‒) chloride","Acta Crystallographica Section C","1999","55","9","1506","1508","10.1107/S0108270199007775","","","0.71073","MoKα","","0.042","0.031","","","","0.074","","","","","","1.085","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008990","10.961","0.002","11.775","0.002","10.452","0.002","112.6","0.03","108.47","0.03","65.02","0.03","1109.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine","1,3a,5-triphenyl-3a,4,5,6-tetrahydro-[1,2,4]oxadiazolo[4,5-a] [1,5]benzodiazepine","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C56 H46 N6 O2 -","2","1","TA1252","Xu, Jiaxi; Jin, Sheng","1,3a,5-Triphenyl-3a,4,5,6-tetrahydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1999","55","9","1579","1581","10.1107/S0108270199006575","","","0.71073","MoKα","","0.088","0.043","","","","0.134","","","","","","0.941","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008991","11.375","0.003","10.438","0.003","12.577","0.004","90","","115.8","0.02","90","","1344.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O6 -","- C24 H33 N3 O6 -","- C48 H66 N6 O12 -","2","1","VJ1099","Banumathi, S.; Velmurugan, D.; Ravikumar, K.; Vijayalakshmi, S.; Balaji Rao, R.; Balaram, P.","Methyl 1-(<i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-leucylamino)cyclooctane-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1575","1577","10.1107/S0108270199005260","","","0.71073","MoKα","","0.0753","0.0684","","0.1937","","0.1861","","","","","","1.091","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008992","12.5262","0.0009","12.8058","0.0007","10.2263","0.0005","100.762","0.004","110.156","0.003","110.603","0.004","1349.99","0.16","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C68 H56 N4 O12 -","2","1","BK1438","Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié","Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline","Acta Crystallographica Section C","1999","55","10","1733","1736","10.1107/S0108270199004060","","","0.71069","MoKα","","0.073","0.061","","","","0.139","","","","","","1.14","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008993","7.9574","0.0001","19.4192","0.0003","24.2174","0.0004","90","","91.406","0.002","90","","3741.1","0.1","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl2 N2 O7 -","- C44 H36 Cl2 N2 O7 -","- C176 H144 Cl8 N8 O28 -","4","2","BK1438","Bruce Taylor; Patrick J. Carroll; Madeleine M. Joullié","Novel compounds from 1,2-indanedione and 3,5-dimethoxyaniline","Acta Crystallographica Section C","1999","55","10","1733","1736","10.1107/S0108270199004060","","","0.71069","MoKα","","0.068","0.062","","","","0.161","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008994","4.659","0.001","25.117","0.002","7.758","0.001","90","","105.51","0.01","90","","874.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-lactoside","Methyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside","","- C14 H28 O12 -","- C14 H28 O12 -","- C28 H56 O24 -","2","1","BK1465","Stenutz, Roland; Shang, Maoyu; Serianni, Anthony S.","Methyl β-lactoside (methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside) methanol solvate","Acta Crystallographica Section C","1999","55","10","1719","1721","10.1107/S0108270199007994","","","0.71073","MoKα","","0.0309","0.0301","","0.0791","0.0781","","","","1.124","1.129","1.129","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008995","10.087","0.001","12.454","0.002","14.177","0.003","90","","90","","90","","1781","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triaza-spiro[4.5]deca- 2,6,9-triene","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","BM1299","Nieger, Martin; Bolte, Michael","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triazaspiro[4.5]deca-2,6,9-triene","Acta Crystallographica Section C","1999","55","10","1666","1667","10.1107/S0108270198015923","","","0.71069","MoKα","","0.1","0.056","","","","0.117","","","","","","1.005","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008996","14.8435","0.0003","14.8573","0.0002","18.9784","0.0004","107.983","0.001","96.779","0.001","103.117","0.001","3796.28","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C154 H128 La2 N8 Ni O22 P8 S4 -","- C154 H128 La2 N8 Ni O22 P8 S4 -","- C154 H128 La2 N8 Ni O22 P8 S4 -","1","0.5","BM1312","De-Liang Long; Huai-Min Hu; Jiu-Tong Chen; Jin-Shun Huang","[La(NO~3~)~2~(Ph~3~PO)~4~]~2~[Ni(C~4~N~2~S~2~)~2~]^.^2CH~3~OH","Acta Crystallographica Section C","1999","55","10","1662","1664","10.1107/S0108270199006629","","","0.71073","MoKα","","0.052","0.035","","","","0.085","","","","","","0.971","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008997","13.336","0.003","13.837","0.003","16.059","0.004","90","","98.51","0.02","90","","2930.7","1.2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-(N-pyridiniummethyl)-1,3-dioxolane)-2-spiro-1',2',4',6' -trinitrocyclohexadienide","","- C14 H12 N4 O8 -","- C14 H12 N4 O8 -","- C112 H96 N32 O64 -","8","1","BM1329","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.","A zwitterionic Meisenheimer complex of 2,4,6-trinitrobenzene","Acta Crystallographica Section C","1999","55","10","1704","1706","10.1107/S0108270199006083","","","0.71073","MoKα","","0.0715","0.0442","","0.1408","","0.118","","","0.991","","","1.103","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008998","6.5401","0.0012","14.0889","0.0018","8.1843","0.0012","90","","99.753","0.012","90","","743.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)","","- C6 H12 Au2 I2 N4 S2 -","- C6 H12 Au2 I2 N4 S2 -","- C12 H24 Au4 I4 N8 S4 -","2","0.5","BM1346","Friedrichs, Steffi; Jones, Peter G.","Bis(imidazolidine-2-thione)gold(I) diiodoaurate(I)","Acta Crystallographica Section C","1999","55","10","1625","1627","10.1107/S0108270199008148","","","0.71073","MoKα","","0.04","0.024","","","","0.05","","","","","","0.914","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008999","7.3471","0.001","7.933","0.0012","13.663","0.0016","90","","104.662","0.008","90","","770.41","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-6-hydroxypyridinium Chloride Hydrate","","- C5 H7 Cl2 N O2 -","- C5 H7 Cl2 N O2 -","- C20 H28 Cl8 N4 O8 -","4","1","BM1350","Freytag, Matthias; Jones, Peter G.","2-Chloro-6-hydroxypyridinium chloride hydrate","Acta Crystallographica Section C","1999","55","10","1682","1685","10.1107/S0108270199008045","","","0.71073","MoKα","","0.046","0.028","","","","0.065","","","","","","0.885","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009000","12.321","0.009","12.321","0.009","12.321","0.009","90","","90","","90","","1870","2","300","2","300","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ca3 Fe2 Ge3 O12 -","- Ca3 Fe2 Ge3 O12 -","- Ca24 Fe16 Ge24 O96 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.044","0.03","","","","0.068","","","","","","1.253","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009001","12.8059","0.0008","12.8059","0.0008","12.8059","0.0008","90","","90","","90","","2100.1","0.2","299","2","299","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ca3 Ge3 O12 Y2 -","- Ca3 Ge3 O12 Y2 -","- Ca24 Ge24 O96 Y16 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.05","0.031","","","","0.087","","","","","","1.179","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009002","12.2489","0.0012","12.2489","0.0012","12.2489","0.0012","90","","90","","90","","1837.8","0.3","299","2","299","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","Garnet","","","- Ge3 Mg3 O12 Y2 -","- Ge3 Mg2.99 O12 Y2.01 -","- Ge24 Mg23.92 O96 Y16.08 -","8","0.0833333","BR1247","Lévy, David; Barbier, Jacques","Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~, Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~","Acta Crystallographica Section C","1999","55","10","1611","1614","10.1107/S0108270199007854","","","0.71073","MoKα","","0.058","0.032","","","","0.075","","","","","","1.187","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009003","9.7378","0.0005","14.9883","0.0007","15.4828","0.001","90","","100.244","0.005","90","","2223.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloro[(cyclopentadienyl)tris(dimethylphosphito-P) cobalt-O,O',O'']oxomolybdenum(V)","","- C11 H23 Cl2 Co Mo O10 P3 -","- C11 H23 Cl2 Co Mo O10 P3 -","- C44 H92 Cl8 Co4 Mo4 O40 P12 -","4","1","CF1313","Roh, Soo-Gyun; Jeong, Jong Hwa","Dichloro[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt(III)-<i>O</i>,<i>O</i>',<i>O</i>'']oxomolybdenum(V)","Acta Crystallographica Section C","1999","55","10","1658","1660","10.1107/S0108270199008781","","","0.71073","MoKα","","0.046","0.039","","","","0.108","","","","","","1.08","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009004","21.148","0.002","5.16","0.002","4.94","0.001","90","","96.69","0.01","90","","535.4","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,10-decanediol","","","- C10 H22 O2 -","- C10 H22 O2 -","- C20 H44 O4 -","2","0.5","CF1316","Nakamura, Naotake; Sato, Taketoshi","1,10-Decanediol","Acta Crystallographica Section C","1999","55","10","1685","1687","10.1107/S0108270199008318","","","1.5418","CuKα","","0.0607","0.0391","","0.0731","","0.0626","","","1.359","","","1.399","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009005","8.6829","0.0013","10.751","0.0016","14.42","0.002","88.617","0.013","80.841","0.011","73.689","0.011","1275.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibromo[1,3-propanediylbis(diphenylphosphine)-P,P']palladium(II)","","- C27 H26 Br2 P2 Pd -","- C27 H26 Br2 P2 Pd -","- C54 H52 Br4 P4 Pd2 -","2","1","CF1318","José M. Vila; Juan M. Ortigueira; Margarita López; Jesus J. Fernández; Alberto Fernández","Dibromo[propane-1,3-diylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']palladium(II)","Acta Crystallographica Section C","1999","55","10","1646","1647","10.1107/S0108270199008306","","","0.71073","MoKα","","0.137","0.039","","","","0.095","","","","","","0.985","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009006","12.1685","0.0019","13.724","0.002","13.315","0.003","90","","114.792","0.009","90","","2018.7","0.6","220","0.2","220","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","7-Phenyl-1,2,3,4,-tetrahydro-1,4-diazepin-5-one","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C88 H96 N16 O8 -","8","1","CF1321","Clark, Bernard A. J.; Evans, Matthew C.; Lloyd, Douglas; McNab, Hamish; Parsons, Simon","7-Phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-diazepin-5-one","Acta Crystallographica Section C","1999","55","10","1725","1727","10.1107/S010827019900832X","","","0.71073","MoKα","","0.047","0.034","","","","0.089","","","","","","1.048","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009007","10.58","0.01","16.1","0.02","13.954","0.01","90","","100.97","0.01","90","","2333","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-diphenyl- 4-(P-Me-phenyl)- spiro pyrazoline [ 5.2']-1'tetralone.","","- C31 H26 N2 O -","- C31 H26 N2 O -","- C124 H104 N8 O4 -","4","1","FG1522","R. Krishna; D. Velmurugan; R. Murugesan; M. Shanmuga Sundaram; R. Raghunathan","1',2',3',4'-Tetrahydro-1,3-diphenyl-4-<i>p</i>-tolylspiro[2-pyrazoline-5,2'-naphthalen]-1'-one","Acta Crystallographica Section C","1999","55","10","1676","1677","10.1107/S0108270199007283","","","1.54178","CuKα","","0.0851","0.0632","","","","0.1648","","","","","","1.099","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009008","8.626","0.002","6.5402","0.0012","14.524","0.004","90","","100.21","0.03","90","","806.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-O-benzyl-2,3-O-isopropylidene-α-L-rhamnopyranose","","- C16 H22 O5 -","- C16 H22 O5 -","- C32 H44 O10 -","2","1","FG1535","Eriksson, Lars; Söderman, Peter; Widmalm, Göran","4-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranose","Acta Crystallographica Section C","1999","55","10","1736","1738","10.1107/S0108270199008203","","","0.71073","MoKα","","0.201","0.065","","0.112","","0.081","","","0.715","","","0.715","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009009","9.7491","0.0006","10.0291","0.0006","11.1681","0.0005","85.297","0.004","71.869","0.004","61.3013","0.0018","907.28","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis((μ^2^-Isopropoxo)-di-isopropoxy-4-Methylphenylimido-vanadium(v))","","- C32 H56 N2 O6 V2 -","- C32 H56 N2 O6 V2 -","- C32 H56 N2 O6 V2 -","1","0.5","FG1541","Lutz, Martin; Hagen, Henk; Schreurs, Antoine M.M.; Spek, Anthony L.; van Koten, Gerard","The twinned structure of the μ-isopropoxidodiisopropoxido(<i>p</i>-tolylimido)vanadium(V) dimer, twin refinement against CCD area-detector data","Acta Crystallographica Section C","1999","55","10","1636","1639","10.1107/S0108270199003728","","","0.71073","MoKα","","0.085","0.07","","","","0.174","","","","","","1.186","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009010","8.1819","0.0006","8.3833","0.0006","8.4079","0.0006","106.244","0.001","94.879","0.001","109.663","0.001","511.06","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Trans-dioxobis(N,N-diethylethylenediamine-N,N')rhenium(V)chloride hydrate (1/3)","","- C12 H38 Cl N4 O5 Re -","- C12 H32 Cl N4 O5 Re -","- C12 H32 Cl N4 O5 Re -","1","0.5","FG1544","Engelbrecht, Hendrik P.; Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Bis(<i>N</i>,<i>N</i>-diethylethylenediamine-<i>N</i>,<i>N</i>')dioxorhenium(V) chloride trihydrate","Acta Crystallographica Section C","1999","55","10","1648","1650","10.1107/S0108270199007507","","","0.71073","MoKα","","0.0188","0.0188","","","","0.0489","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009011","7.105","0.003","8.69","0.003","5.777","0.002","90.65","0.03","106.53","0.03","105.69","0.03","327.7","0.2","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","(E)-N-methyl-1-(methylthio)-2-nitroethenylamine","","- C4 H8 N2 O2 S -","- C4 H8 N2 O2 S -","- C8 H16 N4 O4 S2 -","2","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.043","0.036","","","","0.108","","","","","","1.208","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009012","11.7761","0.0016","17.172","0.002","6.825","0.004","90","","90","","90","","1380.1","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-benzoyl-3,3-bis(methylamino)-2-nitrothioacrylamide","","- C12 H14 N4 O3 S -","- C12 H14 N4 O3 S -","- C48 H56 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.033","","","","0.09","","","","","","1.089","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009013","11.9391","0.0008","14.4523","0.0013","10.7398","0.0009","90","","108.93","0.005","90","","1752.9","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-cinnamoyl-3,3-bis(dimethylamino)-2-nitrothioacrylamide","","- C16 H20 N4 O3 S -","- C16 H20 N4 O3 S -","- C64 H80 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.12","0.051","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009014","11.922","0.003","17.628","0.003","10.442","0.003","90","","90","","90","","2194.5","0.9","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-methyl N-benzoyl-3-(N-methyl-N-phenylamino)-2-nitro-3- (phenylamino)thioacrylimidate","","- C24 H22 N4 O3 S -","- C24 H22 N4 O3 S -","- C96 H88 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.035","","","","0.085","","","","","","1.023","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009015","12.82","0.001","5.787","0.001","14.817","0.002","90","","107.93","0.02","90","","1045.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0551","0.0374","","0.1099","","0.0961","","","1.003","","","1.033","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009016","5.647","0.001","7.977","0.002","29.197","0.004","90","","90.63","0.02","90","","1315.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C56 H40 F12 N4 O8 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.1241","0.069","","0.2369","","0.189","","","1.036","","","1.154","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009017","27.419","0.007","6.901","0.002","6.137","0.001","90","","95.57","0.02","90","","1155.8","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0394","0.034","","0.095","","0.0905","","","1.117","","","1.129","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009018","12.413","0.002","5.744","0.002","15.597","0.003","90","","97.69","0.02","90","","1102.1","0.5","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","FG1547","Burgess, John; Fawcett, John; Russell, David R.; Gilani, Syeda R.; Palma, Vitor","Four <i>N</i>-(2-hydroxybenzylidene)aniline derivatives","Acta Crystallographica Section C","1999","55","10","1707","1710","10.1107/S0108270199008239","","","0.71073","MoKα","","0.0693","0.0481","","0.1493","","0.1244","","","0.866","","","0.849","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009019","6.597","0.001","11.468","0.001","11.103","0.001","90","","91.9","0.01","90","","839.53","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic Acid","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","FG1554","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid","Acta Crystallographica Section C","1999","55","10","1680","1682","10.1107/S0108270199007519","","","0.71073","MoKα","","0.09","0.05","","","","0.099","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009020","8.885","0.003","10.2996","0.0019","8.5543","0.0015","111.952","0.011","98.61","0.03","103.04","0.03","683.2","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","1,2-Dihydro-1,6-dihydroxy-2-(2-methoxy-6-pyridyl)-2,3,1-benzodiazaborine","","- C13 H14 B N3 O4 -","- C13 H14 B N3 O4 -","- C26 H28 B2 N6 O8 -","2","1","FG1557","Robinson, Paul D.; Groziak, Michael P.","A boron-containing estrogen mimic","Acta Crystallographica Section C","1999","55","10","1701","1704","10.1107/S0108270199007520","","","0.71069","MoKα","","0.067","0.036","","","","0.118","","","","","","1.029","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009021","7.6535","0.0009","10.8255","0.001","7.4067","0.0009","92.436","0.01","117.023","0.008","81.61","0.009","540.62","0.11","296","","296","","","","","","","","","4","P -1","-P 1","2","","6,7,8,9-Tetrahydro-3-methyl-1H-pyrano[4,3-b]quinoline-1-one","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","FG1560","Hua, Duy H.; Chen, Yi; Sin, Hong-Sig; Robinson, Paul D.; Meyers, Cal Y.; Perchellet, Elisabeth M.; Perchellet, Jean-Pierre; Chiang, Peter K.; Biellmann, Jean-Francois","6,7,8,9-Tetrahydro-3-methyl-1<i>H</i>-pyrano[4,3-<i>b</i>]quinolin-1-one","Acta Crystallographica Section C","1999","55","10","1698","1701","10.1107/S0108270199007301","","","0.71069","MoKα","","0.125","0.038","","","","0.127","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009022","15.4891","0.0014","12.2319","0.0009","18.2654","0.0018","90","","97.694","0.007","90","","3429.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cd N6 O6 S4 -","- C24 H44 Cd N6 O6 S4 -","- C96 H176 Cd4 N24 O24 S16 -","4","1","FR1179","Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina","Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds","Acta Crystallographica Section C","1999","55","10","1627","1631","10.1107/S0108270199005569","","","0.71073","MoKα","","0.166","0.0672","","","0.1447","0.1903","","","","","","1.016","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009023","14.3913","0.0014","11.0072","0.0011","22.163","0.002","90","","100.898","0.007","90","","3447.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Ag4 N12 O12 S8 -","- C48 H88 Ag4 N12 O12 S8 -","- C96 H176 Ag8 N24 O24 S16 -","2","0.5","FR1179","Bernès, Sylvain; Aguilar, Julio César; Rodríguez de San Miguel Guerrero, Eduardo; Nuñez Gaytán, María Elena; De Gyves, Josefina","Complexation of ω-thiocaprolactam with heavy metals: terminal and bridging coordination modes in cadmium and silver compounds","Acta Crystallographica Section C","1999","55","10","1627","1631","10.1107/S0108270199005569","","","0.71073","MoKα","","0.1097","0.0556","","","0.1084","0.1295","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009024","7.4127","0.0008","10.1982","0.0017","10.8971","0.0011","85.969","0.011","74.899","0.008","78.473","0.012","779.15","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C38 H36 N4 O2 -","2","1","FR1194","Aygün, Muhittin; Işık, Şamil; Turgut, Zuhal; Özbey, Süheyla; Kendi, Engin","4-Ethoxy-<i>N</i>-(6-methylquinolin-2-ylmethylene)aniline","Acta Crystallographica Section C","1999","55","10","1689","1690","10.1107/S0108270199007878","","","0.7107","MoKα","","0.0717","0.0455","","","","0.1158","","","","","","0.933","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009025","10.588","0.001","12.547","0.001","28.989","0.002","90","","90","","90","","3851.1","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic Acid","","- C22 H32 O4 -","- C22 H32 O4 -","- C176 H256 O32 -","8","2","FR1199","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic acid: mutual carboxyl-to-ether dimeric hydrogen bonding in a steroidal carboxy‒keto ether","Acta Crystallographica Section C","1999","55","10","1677","1680","10.1107/S0108270199006411","","","1.5418","CuKα","","0.062","0.051","","","","0.133","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009026","11.138","0.002","18.801","0.004","19.121","0.004","90","","90","","90","","4004","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(μ-acetato)-2,6-bis[(2-hydroxybenzyl)(2-pyridylmethyl)aminomethyl)- 4-methylphenolato)-di-indium(III) Nitrate DihydratE","","- C39 H43 In2 N5 O12 -","- C39 H43 In2 N5 O12 -","- C156 H172 In8 N20 O48 -","4","0.5","GD1031","Bortoluzzi, Adailton J.; Neves, Ademir; Vencato, Ivo; Zucco, Cesar; Hörner, Manfredo","Bis(μ-acetato){μ-2,6-bis[(2-hydroxybenzyl)-(2-pyridylmethyl)aminomethyl]-4-methylphenolato}diindium(III) nitrate dihydrate","Acta Crystallographica Section C","1999","55","10","1634","1636","10.1107/S0108270199008252","","","0.71073","MoKα","","0.073","0.036","","","","0.107","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009027","6.8848","0.0008","13.7645","0.001","29.628","0.002","90","0.006","90","0.008","90","0.008","2807.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Formyl-3-hydroxy-18Hβ-olean-2,12-dien-28-oic acid methyl ester","","- C32 H48 O4 -","- C32 H48 O4 -","- C128 H192 O16 -","4","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und <i>Allo</i>-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.0444","0.0336","","","","0.097","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009028","6.6351","0.0008","12.7178","0.001","15.6807","0.0014","90","0.007","95","0.009","90","0.009","1318.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-Formyl-19β,28-epoxy-3-hydroxy-18Hα-olean-2-ene","","- C31 H48 O3 -","- C31 H48 O3 -","- C62 H96 O6 -","2","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und <i>Allo</i>-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.053","0.0368","","","","0.1097","","","","","","1.049","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009029","8.3779","0.0005","10.7496","0.0008","8.3805","0.0005","90","","101.099","0.006","90","","740.62","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(7S)-(7α,7aα,14α,14aβ)-1,3,4,7,7a,8,9,10,11,13,14,14a-Dodecahydro-7,14- methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-5-ium bromide","","- C15 H27 Br N2 -","- C15 H27 Br N2 -","- C30 H54 Br2 N4 -","2","1","KA1317","Alessandra Farina; Stefano Valdo Meille; Maria Teresa Messina; Pierangelo Metrangolo; Giuseppe Resnati","(‒)-Sparteinium bromide","Acta Crystallographica Section C","1999","55","10","1710","1711","10.1107/S0108270199008185","","","1.54178","CuKα","","0.091","0.079","","","","0.228","","","","","","1.099","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009030","21.432","0.004","8.158","0.001","9.515","0.002","90","","92.95","0.02","90","","1661.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Br2 Cu N2 O2 -","- C17 H14 Br2 Cu N2 O2 -","- C68 H56 Br8 Cu4 N8 O8 -","4","0.5","LN1075","Kabak, Mehmet; Elmali, Ayhan; Kavlakoǧlu, Ebru; Elerman, Yalc̨ın; Durlu, T. Nuri","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section C","1999","55","10","1650","1652","10.1107/S0108270199008331","","","0.71069","MoKα","","0.128","0.052","","","","0.154","","","","","","1.16","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009031","11.848","0.002","7.9903","0.0015","18.29","0.007","90","","95.59","0.03","90","","1723.3","0.8","293","3","293","3","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[Benzoylacetone S-methylisothiosemicarbazonato(2-)]pyridinenickel(II)","","- C17 H18 N4 Ni O S -","- C17 H18 N4 Ni O S -","- C68 H72 N16 Ni4 O4 S4 -","4","1","NA1411","Bogdanović, Goran A.; Spasojević-de Biré, Anne; Leovac, Vukadin M.; Češljević, Valerija I.","Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2 ‒)-<i>O</i>,<i>N</i>^1^,<i>N</i>^4^](pyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","10","1656","1658","10.1107/S0108270199004746","","","0.71073","MoKα","","0.077","0.033","","0.101","","0.09","","","1.021","","","1.194","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009032","9.6808","0.0001","11.4468","0.0002","19.8557","0.0001","100.047","0.001","95.804","0.001","90.318","0.001","2154.84","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine -8-carbonitrile","","- C26 H23 N5 O -","- C26 H23 N5 O -","- C104 H92 N20 O4 -","4","2","NA1423","R.Sankaranarayanan; S.Shanmuga Sundara Raj; D.Velmurugan; Hoong-Kun Fun; V.Raghukumar; V.T.Ramakrishnan","5-Amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","1999","55","10","1670","1672","10.1107/S0108270199007829","","","0.71073","MoKα","","0.1071","0.0622","","","","0.1603","","","","","","1.084","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009033","7.5352","0.0011","9.2242","0.0012","23.1197","0.0013","90","","90","","90","","1607","0.3","293","2","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C17 H18 Cu N2 O3 -","- C17 H18 Cu N2 O3 -","- C68 H72 Cu4 N8 O12 -","4","0.5","NA1424","Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Cakırer, Orhan","Aqua[<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","1999","55","10","1654","1655","10.1107/S010827019900894X","","","0.71073","MoKα","","","0.046","","","","0.063","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009034","9.0587","0.0002","10.2616","0.0002","10.3295","0.0002","79.104","0.001","64.898","0.001","65.456","0.001","790.85","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-methyl-[o-iodo-p-chloro phenyl]cinnamamide","","- C16 H13 Cl I N O -","- C16 H13 Cl I N O -","- C32 H26 Cl2 I2 N2 O2 -","2","1","NA1426","S. Renganayaki; E. Subramanian; S. Shanmuga Sundara Raj; Hoong-Kun Fun","<i>N</i>-(4-Chloro-2-iodophenyl)-<i>N</i>-methylcinnamamide","Acta Crystallographica Section C","1999","55","10","1672","1673","10.1107/S010827019900791X","","","0.71073","MoKα","","0.048","0.041","","","","0.114","","","","","","1.042","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009035","9.608","0.001","10.742","0.001","14.468","0.001","107.121","0.001","102.757","0.001","104.349","0.001","1311.1","0.2","298","","","","","","","","","","","5","P 1","P 1","1","","","","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","- C62 H66 N8 O2 Si -","1","1","NA1427","Decréau, Richard; Julliard, Michel; Giorgi, Michel","Bis(<i>epi</i>-globulyloxy)(phthalocyaninato)silicon, a new photosensitizer for the photodynamic therapy of cancer","Acta Crystallographica Section C","1999","55","10","1717","1719","10.1107/S0108270199008677","","","0.71073","MoKα","","","0.062","","","","0.114","","","","","","1.0181","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009036","8.8298","0.0003","9.6918","0.0003","10.5786","0.0003","97.81","0.001","111.192","0.001","105.25","0.001","787.04","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Dichlorobis(dimethylformamide-O)bis(4-nitrobenzaldehyde thiosemicarbazone-S) cadmium(II)","","- C22 H30 Cd Cl2 N10 O6 S2 -","- C22 H30 Cd Cl2 N10 O6 S2 -","- C22 H30 Cd Cl2 N10 O6 S2 -","1","0.5","NA1428","Yu-Peng Tian; Jie-Ying Wu; Fu-Xin Xie; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun","Dichlorobis(dimethylformamide-<i>O</i>)bis(4-nitrobenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1999","55","10","1641","1644","10.1107/S010827019900815X","","","0.71073","MoKα","","0.025","0.024","","","","0.064","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009037","14.577","0.003","10.875","0.002","23.985","0.005","90","","90.4","0.05","90","","3802.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium diazotriphenylstannate.","","- C42 H35 As N6 Sn -","- C42 H35 As N6 Sn -","- C168 H140 As4 N24 Sn4 -","4","1","NA1430","Franco Benetollo; Gabriella Bombieri; Giuseppe Alonzo; Nuccio Bertazzi","Tetraphenylarsonium diazidotriphenylstannate","Acta Crystallographica Section C","1999","55","10","1664","1665","10.1107/S0108270199008951","","","0.71073","MoKα","","0.0647","0.0503","","","","0.1279","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009038","6.629","0.001","16.35","0.001","5.328","0.001","95.78","0.02","109.9","0.02","80.3","0.02","534.64","0.15","297","","","","","","","","","","","3","P -1","-P 1","2","","4-Methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H18 O2 -","- C12 H18 O2 -","- C24 H36 O4 -","2","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.058","","","","0.069","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009039","7.442","0.001","14.747","0.003","5.586","0.002","92.84","0.02","101.39","0.02","87.87","0.02","600","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","7-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C24 H34 Br2 O4 -","2","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.042","","","","0.049","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009040","11.331","0.004","13.315","0.002","9.298","0.002","101.44","0.01","105.67","0.02","77.15","0.02","1302.5","0.6","297","","","","","","","","","","","3","P -1","-P 1","2","","8-Methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009041","7.874","0.002","21.134","0.003","9.22","0.003","90","","114","0.02","90","","1401.6","0.6","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-Acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","OA1088","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","4-Methylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 7-acetonyl-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 8-methyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1999","55","10","1721","1725","10.1107/S0108270199007088","","","0.71073","MoKα","","","0.053","","","","0.063","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009042","8.668","0.004","18.944","0.002","18.196","0.001","90","","90","","90","","2987.9","1.4","296.2","","296.2","","","","","","","","","6","P b c m","-P 2c 2b","57","","tetrakis(isopropylthio)-p-benzoquinonesilver(I) perchlorate","","- C21 H34 Ag Cl O7 S4 -","- C21 H34 Ag Cl O7 S4 -","- C84 H136 Ag4 Cl4 O28 S16 -","4","0.5","OB1009","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu","A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1999","55","10","1623","1625","10.1107/S0108270199005624","","","0.7107","MoKα","","0.193","0.0698","","","","0.1899","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009043","4.976","0.001","5.1968","0.0008","27.955","0.003","90","","93.82","0.01","90","","721.3","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetradecane-1,14-diol","","","- C14 H30 O2 -","- C14 H30 O2 -","- C28 H60 O4 -","2","0.5","OB1010","Naotake Nakamura; Taketoshi Sato","1,14-Tetradecanediol","Acta Crystallographica Section C","1999","55","10","1687","1689","10.1107/S0108270199008112","","","1.5418","CuKα","","0.056","0.05","","0.109","","0.097","","","1.8","","","1.77","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009044","3.952","0.001","19.95","0.01","9.551","0.004","90","","96.6","0.03","90","","748","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OB1011","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrimidine and pyrazine","Acta Crystallographica Section C","1999","55","10","1714","1717","10.1107/S010827019900709X","","","0.71073","MoKα","","0.048","0.045","","0.091","","0.083","","","1.65","","","1.65","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009045","3.8283","0.0007","18.514","0.005","10.795","0.003","90","","94.48","0.02","90","","762.8","0.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","OB1011","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrimidine and pyrazine","Acta Crystallographica Section C","1999","55","10","1714","1717","10.1107/S010827019900709X","","","0.71073","MoKα","","0.117","0.065","","0.092","","0.061","","","1.37","","","1.37","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009046","5.29","0.004","18.214","0.006","6.781","0.003","90","","111.66","0.04","90","","607.2","0.6","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sodium hydrogen trans-1-propene-1,3-dicarboxylate","","- C5 H5 Na O4 -","- C5 H5 Na O4 -","- C20 H20 Na4 O16 -","4","1","OB1012","Taka, Jun-ichiro; Kashino, Setsuo","Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate","Acta Crystallographica Section C","1999","55","10","1620","1623","10.1107/S0108270199008458","","","0.71073","MoKα","","","0.069","","","","0.06","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009047","10.669","0.005","18.479","0.006","7.28","0.006","90","","90","","90","","1435.3","1.4","295","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Ammonium hydrogen trans-1-propene-1,3-dicarboxylate","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","0.5","OB1012","Taka, Jun-ichiro; Kashino, Setsuo","Sodium hydrogen <i>trans</i>-glutaconate and ammonium hydrogen <i>trans</i>-glutaconate","Acta Crystallographica Section C","1999","55","10","1620","1623","10.1107/S0108270199008458","","","0.71073","MoKα","","","0.077","","","","0.067","","","","","","1.51","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009048","9.152","0.001","20.886","0.001","9.555","0.001","90","","97.57","0.01","90","","1810.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H28 N2 O7 Pt -","- C14 H28 N2 O7 Pt -","- C56 H112 N8 O28 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.041","0.025","","","","0.058","","","","","","1.037","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009049","12.63","0.003","14.938","0.003","9.276","0.001","90","","90","","90","","1750.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O4 Pt -","- C16 H26 N2 O4 Pt -","- C64 H104 N8 O16 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.036","0.029","","","","0.068","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009050","8.9499","0.0012","9.2513","0.0009","8.6473","0.0011","115.764","0.008","99.704","0.011","98.247","0.011","616.35","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H34 Al2 N6 O16 P4 -","- C8 H34 Al2 N6 O16 P4 -","- C8 H34 Al2 N6 O16 P4 -","1","0.5","OH1114","Sugiyama, Kazumasa; Hiraga, Kenji; Yu, Jihong; Zheng, Shan; Qiu, Shilun; Xu, Ruren; Terasaki, Osamu","A one-dimensionally extended chain aluminophosphate","Acta Crystallographica Section C","1999","55","10","1615","1617","10.1107/S0108270199000360","","","0.71069","MoKα","","0.0674","0.0428","","","","0.1033","","","","","","1.04","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2009051","8.0257","0.0001","25.8793","0.0003","12.1196","0.0001","90","","94.7901","0.0002","90","","2508.44","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Chloroethyl)diisopropylammonium Tetrachlorocobaltate(II)","","- C16 H38 Cl6 Co N2 -","- C16 H38 Cl6 Co N2 -","- C64 H152 Cl24 Co4 N8 -","4","1","OS1065","Mahmoudkhani, Amir H.; Langer, Vratislav","Bis[(2-chloroethyl)diisopropylammonium] tetrachlorocobaltate(II)","Acta Crystallographica Section C","1999","55","10","1631","1634","10.1107/S0108270199007362","","","0.71073","MoKα","","0.07","0.045","","","","0.111","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009052","7.4986","0.0015","11.574","0.002","20.032","0.004","90","","90","","90","","1738.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hedychenone","4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","QA0128","Liu, Xiu-Hua; Wang, Wenling; He, Zhen-Dan; Wang, Han-Qing; Yang, Chong-Ren; Chen, Bosen","Hedychenone from <i>Hedychium Yunnanense</i> Gagnep","Acta Crystallographica Section C","1999","55","10","IUC9900129","","10.1107/S0108270199098649","","","0.71073","MoKα","","0.066","0.059","","","","0.155","","","","","","1.106","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009053","7.255","0.001","10.741","0.002","11.115","0.002","90","","100.142","0.014","90","","852.6","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Na2 O20 P4 Zn -","- H16 Na2 O20 P4 Zn -","- H32 Na4 O40 P8 Zn2 -","2","0.5","QA0160","Harrison, William T. A.","A sodium zinc phosphate hydrate, Na~2~Zn(H~2~PO~4~)~4~^.^4H~2~O","Acta Crystallographica Section C","1999","55","10","IUC9900113","","10.1107/S0108270199098789","","","0.71073","MoKα","","","0.038","","","","0.035","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009054","7.6438","0.0013","7.848","0.0009","7.9642","0.0015","64.561","0.014","84.822","0.014","72.443","0.013","410.91","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H5 K O9 P2 Zn -","- H5 K O9 P2 Zn -","- H10 K2 O18 P4 Zn2 -","2","1","QA0161","Harrison, William T. A.","A potassium zinc phosphate hydrate, KZn(HPO~4~)(H~2~PO~4~)^.^H~2~O","Acta Crystallographica Section C","1999","55","10","IUC9900112","","10.1107/S0108270199098790","","","0.71073","MoKα","","","0.024","","","","0.032","","","","","","0.881","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009055","6.847","0.005","8.708","0.005","18.055","0.005","78.87","0.05","86.27","0.05","76.58","0.05","1027.2","1","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","3-(Triphenylstannyl)propyl ethanoate","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C46 H48 O4 Sn2 -","2","1","QA0165","Low, John Nicolson; Ferguson, George; Wardell, James L.","3-(Triphenylstannyl)propyl ethanoate","Acta Crystallographica Section C","1999","55","10","IUC9900117","","10.1107/S010827019909873X","","","0.7107","MoKα","","0.023","0.018","","","","0.058","","","","","","0.905","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009056","9.929","0.003","8.895","0.002","14.482","0.004","90","","90","","90","","1279","0.6","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C12 H12 O8 -","- C12 H12 O8 -","- C48 H48 O32 -","4","0.5","QA0166","Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R.","A cyclic dimer of ethyleneglycol maleate","Acta Crystallographica Section C","1999","55","10","IUC9900115","","10.1107/S0108270199098704","","","0.7107","MoKα","","0.0571","0.0361","","","","0.1085","","","","","","1.005","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009057","7.5729","0.0002","9.0936","0.0002","11.3877","0.0003","90","","96.193","0.001","90","","779.64","0.03","175","2","175","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,5-dichloro-2-nitroaniline","","- C6 H4 Cl2 N2 O2 -","- C6 H4 Cl2 N2 O2 -","- C24 H16 Cl8 N8 O8 -","4","1","QA0168","Britton, Doyle","4,5-Dichloro-2-nitroaniline","Acta Crystallographica Section C","1999","55","10","IUC9900116","","10.1107/S0108270199098698","","","0.71073","MoKα","","0.056","0.045","","0.112","","0.107","","","1.09","","","1.12","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009058","11.986","0.0017","7.035","0.0011","11.1186","0.0017","90","","97.727","0.003","90","","929","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-methyl-(3R)-hydroxymethyl-cyclohexene-(4S)-carbolactone-(5S)-carboxylic acid","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","QA0169","Brewster, Matthew A.; Carducci, Michael D.; Rainier, Jon D.","The Diels‒Alder adduct (3a<i>S</i>,7a<i>R</i>,4<i>S</i>)-1,3,3a,-4,5,7a-hexahydro-7-methyl-3-oxoisobenzofuran-4-carboxylic acid","Acta Crystallographica Section C","1999","55","10","IUC9900126","","10.1107/S0108270199098674","","","0.71073","MoKα","","0.108","0.045","","","","0.117","","","","","","0.852","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009059","11.5244","0.0002","19.1647","0.0003","24.8355","0.0001","90","","90","","90","","5485.21","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro Pyrazolidine [5.3] 4'-Flavanone.","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","QA0170","Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R.","2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)]","Acta Crystallographica Section C","1999","55","10","IUC9900120","","10.1107/S0108270199098662","","","0.71073","MoKα","","0.085","0.055","","","","0.128","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009060","10.112","0.002","19.144","0.007","10.511","0.003","90","","118.35","0.02","90","","1790.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-chloro-tricarbonyl(dicyclohexylphosphine)rhenium]","","- C30 H46 Cl2 O6 P2 Re2 -","- C30 H46 Cl2 O6 P2 Re2 -","- C60 H92 Cl4 O12 P4 Re4 -","2","0.5","QA0171","Flörke, Ulrich","Di-μ-chloro-bis[tricarbonyl(dicyclohexylphosphine)rhenium]","Acta Crystallographica Section C","1999","55","10","IUC9900119","","10.1107/S0108270199098777","","","0.71073","MoKα","","0.044","0.025","","","","0.054","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009061","19.75","0.003","19.75","0.003","12.24","0.002","90","","90","","120","","4134.7","1.1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","Hexa-tetraethylammonium di-υ~3~iodo-triυ~4~-iodohexkis(iodosilver(I)), (Et~4~N)~6~[Ag~6~I~11~]I","","- C48 H120 Ag6 I12 N6 -","- C48 H120 Ag6 I12 N6 -","- C96 H240 Ag12 I24 N12 -","2","0.166667","QA0172","Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun","Hexakis(tetraethylammonium) tri-μ~4~-iodo-di-μ~3~-iodo-hexakis[iodosilver(I)] iodide, (Et~4~ N)~6~[Ag~6~I~11~]I","Acta Crystallographica Section C","1999","55","10","IUC9900122","","10.1107/S0108270199098765","","","0.71073","MoKα","","0.046","0.035","","0.094","","0.092","","","1.139","","","1.224","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2009062","11.1271","0.0012","9.2899","0.001","14.565","0.003","90","","100.573","0.005","90","","1480","0.4","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tert-Butyl (-)-(2S,3S,4S,5R,6S,R~S~)-3-hydroxy-5-(1-{N-[(R)-1-hydroxy-3-methylbut-2-yl]- 4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine-1-carboxylate","","- C30 H44 N2 O5 S -","- C30 H44 N2 O5 S -","- C60 H88 N4 O10 S2 -","2","1","QA0173","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(‒)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>R</i>,<i>R</i>~S~)-1-<i>tert</i>-Butoxycarbonyl-3-hydroxy-5-(1(<i>S</i>)-{<i>N</i>-[(<i>R</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoyl}ethyl)-4-methyl-2-phenylpyrrolidine at 133K","Acta Crystallographica Section C","1999","55","10","IUC9900114","","10.1107/S0108270199098625","","","0.71073","MoKα","","0.044","0.039","","","","0.107","","","","","","1.45","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009063","9.314","0.001","12.084","0.001","12.583","0.001","112.804","0.001","108.744","0.001","92.976","0.001","1210.76","0.19","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C52 H58 N2 O8 -","2","1","QA0174","Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert","Ethyl (<i>E</i>)-2-[benzyl(benzyloxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate","Acta Crystallographica Section C","1999","55","10","IUC9900118","","10.1107/S0108270199098686","","","0.71069","MoKα","","0.142","0.038","","","","0.075","","","","","","0.837","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009064","8.1911","0.0003","9.0791","0.0003","19.2164","0.0008","90","","97.7742","0.0019","90","","1415.95","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-nonyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C12 H20 N2 O S2 -","- C12 H20 N2 O S2 -","- C48 H80 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.0784","0.0434","","","","0.1256","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009065","8.0494","0.0007","9.2472","0.0004","20.1232","0.0016","90","","94.709","0.003","90","","1492.8","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-decyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C13 H22 N2 O S2 -","- C13 H22 N2 O S2 -","- C52 H88 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.1175","0.0572","","","","0.1058","","","","","","1.034","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009066","6.0365","0.0002","17.3779","0.0005","22.679","0.0008","90","","90","","90","","2379.07","0.13","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Bis[(ferrocenylmethyl)thio]-1,3-dithiole-2-thione","","- C25 H22 Fe2 S5 -","- C25 H22 Fe2 S5 -","- C100 H88 Fe8 S20 -","4","1","QA0176","Low, John Nicolson; Chohan, Zahid H.; Howie, R. Alan; Wardell, James L.","4,5-Bis(ferrocenylmethylthio)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1999","55","10","IUC9900124","","10.1107/S0108270199098728","","","0.71073","MoKα","","0.063","0.044","","","","0.115","","","","","","1.17","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009067","9.0696","0.0015","16.809","0.002","9.2603","0.0011","90","","114.804","0.012","90","","1281.5","0.3","134","2","134","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-N-(tert-butoxycarbonyl)-3-[3,5-bis-(trifluoromethyl)- phenylmethoxy]-4,5-dimethyl-2-phenyl-pyrrolidine","","- C26 H29 F6 N O3 -","- C26 H29 F6 N O3 -","- C52 H58 F12 N2 O6 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium <i>p</i>-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.049","0.047","","","","0.13","","","","","","1.675","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009068","9.8727","0.0018","8.8917","0.0011","16.527","0.002","90","","102.162","0.012","90","","1418.3","0.4","134","2","134","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-3-[3,5-bis-(trifluoromethyl)-phenylmethoxy]-4,5-dimethyl-2- phenyl-pyrrolidinyl p-toluenesulfonate","","- C28 H29 F6 N O4 S -","- C28 H29 F6 N O4 S -","- C56 H58 F12 N2 O8 S2 -","2","1","QA0178","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-Bis(trifluoromethyl)benzyloxy]-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-4,5-dimethyl-2-phenylpyrrolidine, (I), and (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-3-[3,5-bis(trifluoromethyl)benzyloxy]-4,5-dimethyl-2-phenylpyrrolidinium <i>p</i>-toluenesulfonate, (II), at 134K","Acta Crystallographica Section C","1999","55","10","IUC9900121","","10.1107/S0108270199098613","","","0.71073","MoKα","","0.061","0.047","","","","0.113","","","","","","1.294","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009069","6.349","0.001","6.936","0.001","9.282","0.002","95.62","0.03","104.58","0.03","113.44","0.03","353.8","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Fe N2 O8 -","- C12 H16 Fe N2 O8 -","- C12 H16 Fe N2 O8 -","1","0.5","QA0179","Liu, Qun; Wei, Yongge; Wang, Wei; Zhang, Shiwei","Tetraaquabis(4-pyridinecarboxylato-<i>N</i>)iron(II)","Acta Crystallographica Section C","1999","55","10","IUC9900127","","10.1107/S0108270199098741","","","0.71073","MoKα","","0.037","0.031","","","","0.08","","","","","","1.071","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009070","9.9921","0.0001","13.2646","0.0002","12.1386","0.0002","90","","90.47","0.001","90","","1608.81","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (SR)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl- 1,9-phenanthroline-6-carboxylate","","- C15 H16 Cl2 N2 O3 -","- C15 H16 Cl2 N2 O3 -","- C60 H64 Cl8 N8 O12 -","4","1","QA0180","Sarkar, Tarun Kumar; Basak, Sankar; Ghosh, Sunil Kumar; Nigam, Gur Dayal; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Methyl (<i>SR</i>)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl-1,9-phenanthroline-6-carboxylate","Acta Crystallographica Section C","1999","55","10","IUC9900128","","10.1107/S0108270199098650","","","0.71073","MoKα","","0.05","0.041","","","","0.121","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009071","14.7482","0.0008","8.2538","0.0006","26.6697","0.0013","90","","100.42","0.003","90","","3192.9","0.3","106","2","106","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis,trans-Bis(acetonitrile)(2,2'-bipyridine-N,N')dichlororuthenium(II) hemihydrate","","- C14 H15 Cl2 N4 O0.5 Ru -","- C14 H15 Cl2 N4 O0.5 Ru -","- C112 H120 Cl16 N32 O4 Ru8 -","8","1","QB0111","Huh, Seong; Park, Seongsoon; Lough, Alan. J.","<i>cis</i>,<i>trans</i>-Bis(acetonitrile-<i>N</i>)(2,2'-bipyridine-<i>N</i>,<i>N</i>')dichlororuthenium(II) hemihydrate","Acta Crystallographica Section C","1999","55","10","IUC9900125","","10.1107/S0108270199098753","","","0.71073","MoKα","","0.082","0.041","","","","0.077","","","","","","0.908","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009072","15.001","0.009","7.385","0.003","15.078","0.013","90","","95.45","0.06","90","","1662.8","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[3-(3-Indenyl)propyl]-benzylammonium bromide","","- C19 H22 Br N -","- C19 H22 Br N -","- C76 H88 Br4 N4 -","4","1","QB0113","Groux, Laurent F.; Bélanger-Gariépy, Francine; Zargarian, Davit","Benzyl[3-(3-indenyl)propyl]ammonium bromide","Acta Crystallographica Section C","1999","55","10","IUC9900130","","10.1107/S0108270199098637","","","1.54056","CuKα","","0.041","0.031","","0.077","","0.074","","","0.94","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009073","9.0165","0.0004","11.3057","0.0003","13.4155","0.0006","90","","90","","90","","1367.55","0.09","150","2","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) methionine","","- C10 H15 N5 O4 S -","- C10 H15 N5 O4 S -","- C40 H60 N20 O16 S4 -","4","1","SK1287","Low, John N.; Godino, M. L.; López, Rafael; Pérez, Agustin; Melguizo, Manuel; Cobo, Justo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)methionine","Acta Crystallographica Section C","1999","55","10","1727","1730","10.1107/S0108270199008495","","","0.71073","MoKα","","0.061","0.047","","","","0.128","","","","","","1.208","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009074","10.1911","0.0011","11.3039","0.0013","11.0983","0.0011","90","","115.83","0.002","90","","1150.8","0.2","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","SK1291","Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan","4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol","Acta Crystallographica Section C","1999","55","10","1691","1692","10.1107/S0108270199008501","","","0.71073","MoKα","","","0.036","","","","0.045","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009075","9.0652","0.001","11.5566","0.0011","16.2857","0.0016","90","","100.558","0.008","90","","1677.3","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu2 N6 O10 Zn -","- C34 H32 Cu2 N6 O10 Zn -","- C68 H64 Cu4 N12 O20 Zn2 -","2","0.5","SK1295","Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Durmus̨, Sefa","Bis{(μ-nitrato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II)","Acta Crystallographica Section C","1999","55","10","1652","1654","10.1107/S0108270199008513","","","0.71073","MoKα","","","0.036","","","","0.04","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009076","7.5447","0.0005","12.0046","0.0007","13.7852","0.0008","74.077","0.001","75.359","0.001","72.462","0.001","1124.96","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-phenyldiazenyl-1H-imidazole-N)silver(I) nitrate methanol solvate","","- C19 H20 Ag N9 O4 -","- C19 H20 Ag N9 O4 -","- C38 H40 Ag2 N18 O8 -","2","1","SK1302","S. Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","Bis[2-(phenylazo)imidazole-<i>N</i>]silver(I) nitrate methanol solvate","Acta Crystallographica Section C","1999","55","10","1644","1646","10.1107/S0108270199008525","","","0.71073","MoKα","","0.094","0.057","","","","0.16","","","","","","1.013","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009077","14.0268","0.0001","15.0988","0.0002","13.3565","0.0002","90","","111.16","0.01","90","","2638.02","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Diiodobis(4-methoxybenzaldehyde thiosemicarbazone)cadmium(II)","","- C18 H22 Cd I2 N6 O2 S2 -","- C18 H22 Cd I2 N6 O2 S2 -","- C72 H88 Cd4 I8 N24 O8 S8 -","4","1","SK1305","Yu-Peng Tian; Wen-Tao Yu; Min-Hua Jiang; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun","Diiodobis(4-methoxybenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1999","55","10","1639","1641","10.1107/S0108270199008537","","","0.71073","MoKα","","0.042","0.037","","","","0.09","","","","","","1.149","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009078","9.0605","0.0002","17.8725","0.0001","31.4066","0.0006","90","","90","","90","","5085.79","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene- 3',4',9',10'-(3'α,4'α,9'α,10'α)-tetrahedron-4',9'-methanonaphthalene","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C272 H200 N8 O24 -","8","1","SK1309","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu","1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'<i>H</i>-oxeto[3,2-<i>b</i>]naphthalen]-2-one","Acta Crystallographica Section C","1999","55","10","1674","1675","10.1107/S0108270199008744","","","0.71073","MoKα","","0.1306","0.067","","","","0.1581","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009079","6.3799","0.0001","14.9302","0.0002","16.108","0.0002","90","","91.636","0.001","90","","1533.71","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxaldehyde","","- C16 H10 N4 O6 -","- C16 H10 N4 O6 -","- C64 H40 N16 O24 -","4","1","SK1310","Shanmuga Sundara Raj, S.; Jeyakanthan, J.; Selvi, S.; Velmurugan, D.; Fun, H.-K; Perumal, P. T","1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section C","1999","55","10","1667","1669","10.1107/S0108270199008690","","","0.71073","MoKα","","0.0796","0.0553","","","","0.155","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009080","7.994","0.006","8.371","0.007","25.14","0.02","90","","90","","90","","1682","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl3 N -","- C17 H18 Cl3 N -","- C68 H72 Cl12 N4 -","4","1","SX1083","Caruso, Francesco; Besmer, Angela; Rossi, Miriam","The absolute configuration of sertraline (Zoloft) hydrochloride","Acta Crystallographica Section C","1999","55","10","1712","1714","10.1107/S0108270199008343","","","0.71073","MoKα","","","0.058","","","0.049","","","","","","","1.391","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009081","12.67","0.002","7.368","0.001","29.704","0.005","90","","96.92","0.01","90","","2752.7","0.7","130","0.1","130","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-trimethylgermylethyl p-nitrobenzoate","","- C12 H17 Ge N O4 -","- C12 H17 Ge N O4 -","- C96 H136 Ge8 N8 O32 -","8","1","TA1258","White, Jonathan M.","Trimethylgermylethyl <i>p</i>-nitrobenzoate","Acta Crystallographica Section C","1999","55","10","1660","1662","10.1107/S0108270199007258","","","1.5418","CuKα","","0.032","0.03","","0.085","0.081","","","","0.977","0.992","0.992","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009082","6.625","0.001","11.476","0.001","7.127","0.001","90","","105.03","0.01","90","","523.32","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-cis-Pinonic Acid","(1S,3S)-(+)-cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","BK1455","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-<i>cis</i>-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid","Acta Crystallographica Section C","1999","55","11","1908","1911","10.1107/S0108270199009555","","","0.71073","MoKα","","0.041","0.035","","","","0.089","","","","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009083","25.869","0.008","12.494","0.004","6.198","0.002","90","","90","","90","","2003.2","1.1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6'R)‒6'‒Methyl‒2',5'‒dioxo‒(17R)spiro[11β‒hydroxy-androst‒4‒en‒ 3‒one‒17,3'‒[1,4]‒dioxane]","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","BK1456","Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little","The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors","Acta Crystallographica Section C","1999","55","11","1870","1873","10.1107/S0108270199008008","","","0.71069","MoKα","","0.0674","0.048","","","","0.1542","","","","","","1.151","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009084","9.438","0.002","12.6375","0.0018","9.7641","0.0013","90","","110.953","0.014","90","","1087.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diacetate-μ-[N,N'-bis[2-(2-aminoethylpyridine]oxamide]dicopper(II)","","- C20 H22 Cu2 N4 O6 -","- C20 H22 Cu2 N4 O6 -","- C40 H44 Cu4 N8 O12 -","2","0.5","BK1463","Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Rodrigues, Ana M. G. D.; de Paula, M.; de Sousa, Gerimário F.","[μ-<i>N</i>,<i>N</i>'-Bis(2-pyridylethyl)oxamide]bis[acetatocopper(II)]","Acta Crystallographica Section C","1999","55","11","1791","1793","10.1107/S0108270199009476","","","0.71073","MoKα","","0.126","0.056","","","","0.184","","","","","","1.23","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009085","11.325","0.002","16.996","0.002","17.193","0.002","90","","99.78","0.01","90","","3261.2","0.8","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-methyl-3',4'-dimethoxy-4-stilbazolium tetraphenylborate","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","","- C40 H38 B N O2 -","- C40 H38 B N O2 -","- C160 H152 B4 N4 O8 -","4","1","BK1469","De-Chun Zhang; Li-Qin Ge; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","1999","55","11","1938","1939","10.1107/S0108270199009579","","","0.71073","MoKα","","0.074","0.034","","0.072","","0.063","","","0.82","","","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009086","12.377","0.003","6.974","0.0014","19.822","0.004","90","","102.82","0.03","90","","1668.3","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Triaqua-(2,2'-bipyridyl-N,N')-(thiosulfato-S)-nickel(II) dihydrate","","- C10 H18 N2 Ni O8 S2 -","- C10 H18 N2 Ni O8 S2 -","- C40 H72 N8 Ni4 O32 S8 -","4","2","BK1471","Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun","Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","11","1780","1784","10.1107/S010827019900829X","","","0.71073","MoKα","","0.042","0.036","","","","0.099","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009087","8.434","0.002","8.782","0.002","11.344","0.002","90.47","0.03","91.27","0.03","104.23","0.03","814.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Triaqua-(2,10-phenanthroline-N,N')-(thiosulfato-S)-nickel(II) monohydrate.","","- C12 H16 N2 Ni O7 S2 -","- C12 H16 N2 Ni O7 S2 -","- C24 H32 N4 Ni2 O14 S4 -","2","1","BK1471","Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun","Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate","Acta Crystallographica Section C","1999","55","11","1780","1784","10.1107/S010827019900829X","","","0.71073","MoKα","","0.026","0.025","","","","0.071","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009088","15.194","0.003","11.059","0.002","16.262","0.003","90","","102.19","0.03","90","","2670.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Co F6 N4 O6 P3 S2 -","- C14 H24 Co F6 N4 O6 P3 S2 -","- C56 H96 Co4 F24 N16 O24 P12 S8 -","4","1","BK1474","Ye-Xiang Tong; Cheng-Yong Su; Bei-Sheng Kang; Xiao-Lan Yu; Xiao-Ming Chen","Bis(pyrimidine-2-thiolato-<i>N</i>,<i>S</i>)bis(trimethyl phosphite-<i>P</i>)cobalt(III) hexafluorophosphate","Acta Crystallographica Section C","1999","55","11","1800","1802","10.1107/S0108270199009488","","","0.71073","MoKα","","0.125","0.067","","","","0.164","","","","","","1.079","","","","has coordinates,has disorder","189124","2020-10-21","18:00:00",""
"2009089","13.32","0.002","16.118","0.002","13.609","0.002","90","","94.76","0.01","90","","2911.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro-bis(2-(2-hydroxyphenyl)benzothiazolato) oxorhenium (V). 1.5CH~2~Cl~2~","","- C27.5 H19 Cl4 N2 O3 Re S2 -","- C27.5 H18 Cl4 N2 O3 Re S2 -","- C110 H72 Cl16 N8 O12 Re4 S8 -","4","1","BK1478","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chattopadhyay, Pabitra; Lo, Jem-Mau; Chung, Chung-Sun","Bis[2-(1,3-benzothiazol-2-yl)phenolato-<i>O</i>,<i>N</i>]chlorooxorhenium(V)‒dichloromethane (1/1.5)","Acta Crystallographica Section C","1999","55","11","1802","1804","10.1107/S0108270199010008","","","0.71073","MoKα","","0.0843","0.0394","","","","0.096","","","","","","0.962","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009090","7.25","0.003","9.938","0.005","11.169","0.006","72.88","0.04","82.74","0.04","83.4","0.04","760.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","spiro-1',1'-(2-methylamino-tio-troponyl)-2',4',6'-trinitrocyclohexadiene.","","- C14 H10 N4 O6 S -","- C14 H10 N4 O6 S -","- C28 H20 N8 O12 S2 -","2","1","BM1341","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Budarina, Zoya N.; Antipin, Michail Yu.; Olekhnovich, Lev P.","2,3-Dihydro-3-methyl-2',4',6'-trinitrospiro[1,3-thiazolotropylium-2,1'-cyclohexadienide]","Acta Crystallographica Section C","1999","55","11","1915","1918","10.1107/S0108270199009646","","","0.71073","MoKα","","0.1571","0.0721","","0.2095","","0.1626","","","0.93","","","1.158","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009091","12.984","0.007","13.034","0.005","16.749","0.008","82.04","0.03","72.31","0.04","87.45","0.04","2674","2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H36 F6 N6 O14 -","- C31 H18 F3 N3 O7 -","- C124 H72 F12 N12 O28 -","4","2","BM1342","Kovalevsky, A. Yu.; Shishkin, O. V.; Ponomarev, I. I.","<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid monohydrate","Acta Crystallographica Section C","1999","55","11","1914","1915","10.1107/S0108270199009385","","","0.71073","MoKα","","0.1918","0.062","","0.1796","","0.1777","","","0.883","","","1.154","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009092","12.996","0.005","10.106","0.005","12.717","0.011","90","","110.35","0.06","90","","1566","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one","","- C15 H13 N3 O6 -","- C15 H13 N3 O6 -","- C60 H52 N12 O24 -","4","1","BM1347","Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Vaslyaeva, Galina S.; Antipin, Michail Yu.; Olekhnovich, Lev P.","2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section C","1999","55","11","1920","1921","10.1107/S0108270199009166","","","0.71073","MoKα","","0.08","0.057","","0.161","","0.131","","","1.08","","","1.14","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009093","7.879","0.003","10.971","0.006","19.831","0.009","90","","91.2","0.03","90","","1713.8","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-triethylammoniomethyl-1,3-dioxolane)-2-spiro-1'-2',4',6'-trinitro- cyclohexadienide","","- C15 H22 N4 O8 -","- C15 H22 N4 O8 -","- C60 H88 N16 O32 -","4","1","BM1348","Borbulevych, Oleg Ya.; Shishkin, Oleg V.; Knyazev, Victor N.","4-Triethylammoniomethyl-1,3-dioxolane-2-spiro-1'-2',4',6'-trinitrocyclohexadienide","Acta Crystallographica Section C","1999","55","11","1918","1920","10.1107/S0108270199009233","","","0.71073","MoKα","","0.2099","0.0771","","0.264","","0.1722","","","0.876","","","1.177","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009094","8.905","0.004","9.497","0.003","10.321","0.005","93.83","0.03","99.9","0.03","90.42","0.03","857.8","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23.5 F7.5 N2 O11.5 -","- C36 H23 F7.5 N2 O11.5 -","- C36 H23 F7.5 N2 O11.5 -","1","0.5","BM1349","Kovalevsky, A.Yu.; Shishkin, O. V.; Ponomarev, I.I.; Shishkina, S. V.","<i>N</i>,<i>N</i>'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide‒trifluoroacetic acid‒phenol (1/2.5/0.5)","Acta Crystallographica Section C","1999","55","11","1911","1913","10.1107/S010827019900949X","","","0.71073","MoKα","","","0.0887","","","","0.236","","","","","","1.13","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009095","11.9557","0.0007","12.111","0.0007","17.931","0.001","99.79","0.001","98.943","0.001","114.365","0.001","2255.8","0.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","(tpp)Zr(Cl)[N(SiMe~3~)~2~] (tpp = 5,10,15,20-tetraphenylporphyrinato dianion)","","- C50 H46 Cl N5 Si2 Zr -","- C50 H46 Cl N5 Si2 Zr -","- C100 H92 Cl2 N10 Si4 Zr2 -","2","1","BM1353","Kim, Hee-Joon; Kim, Kimoon","The first amidozirconium(IV)‒porphyrin complex: <i>cis</i>-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV)","Acta Crystallographica Section C","1999","55","11","1814","1815","10.1107/S0108270199009919","","","0.71073","MoKα","","0.039","0.032","","","","0.081","","","","","","1.104","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009096","7.7939","0.0008","12.3957","0.0014","7.978","0.001","90","","97.48","0.01","90","","764.2","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxypiperidinium iodide","","- C5 H12 I N O -","- C5 H12 I N O -","- C20 H48 I4 N4 O4 -","4","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.017","0.014","","","","0.035","","","","","","1.071","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009097","9.1378","0.001","10.9924","0.0014","30.58","0.003","90","","90","","90","","3071.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate","","- C13 H28 N2 O3 -","- C13 H28 N2 O3 -","- C104 H224 N16 O24 -","8","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.088","0.038","","","","0.078","","","","","","0.797","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009098","16.3206","0.0007","15.6683","0.0007","19.3267","0.0009","90","","90","","90","","4942.1","0.4","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B N O2 -","- C13 H14 B N O2 -","- C208 H224 B16 N16 O32 -","16","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.0618","0.0474","","","","0.118","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009099","9.729","0.0013","10.3311","0.0014","15.589","0.002","91.087","0.003","106.477","0.003","94.123","0.003","1497.4","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 B N O2 -","- C18 H16 B N O2 -","- C72 H64 B4 N4 O8 -","4","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.1219","0.0644","","","","0.1669","","","","","","0.872","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009100","12.564","0.004","13.452","0.004","7.021","0.002","90","","113.74","0.03","90","","1086.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cadmium sodium trivanadate","","- Cd3.23 Na1.41 O12 V3.36 -","- Cd3.229 Na1.409 O12 V3.362 -","- Cd12.916 Na5.636 O48 V13.448 -","4","0.5","BR1215","Lahcen El Ammari; Mohamed Azrour; Wulf Depmeier; K.-F. Hesse; Brahim Elouadi","Cadmium sodium trivanadate","Acta Crystallographica Section C","1999","55","11","1743","1746","10.1107/S0108270199007787","","","0.71069","MoKα","","0.036","0.027","","0.066","","0.063","","","1.063","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009101","6.266","0.001","6.266","0.001","8.103","0.002","90","","90","","120","","275.52","0.09","350","1","350","1","","","","","","","","3","P -3 m 1","-P 3 2""","164","Thallium Molybdate","Dithallium molybdate","","- Mo O4 Tl2 -","- Mo O4 Tl2 -","- Mo2 O8 Tl4 -","2","0.166667","BR1242","Friese, K.; Madariaga, G.; Breczewski, T.","Tl~2~MoO~4~ at 350K","Acta Crystallographica Section C","1999","55","11","1753","1755","10.1107/S0108270199008616","","","0.71073","MoKα","","0.046","0.039","","","","0.092","","","","","","1.053","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009102","9.124","0.004","7.792","0.0018","13.059","0.004","90","","90","","90","","928.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","silver iododiphosphate","","","- Ag5 I O7 P2 -","- Ag5 I O7 P2 -","- Ag20 I4 O28 P8 -","4","1","BR1248","Adams, Stefan; Preusser, Andrea","Silver-ion conduction pathways in Ag~5~IP~2~O~7~","Acta Crystallographica Section C","1999","55","11","1741","1743","10.1107/S0108270199009634","","","0.71073","MoKα","","0.028","0.025","","","","0.063","","","","","","1.118","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009103","8.4551","0.0003","8.4551","0.0003","8.4551","0.0003","90","","90","","90","","604.44","0.04","293","2","298","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Franklinite","Zinc Iron Oxide","","- Fe1.96 Mn0.36 O4 Zn0.68 -","- Fe2 Mn0.35 O4 Zn0.65 -","- Fe16 Mn2.8 O32 Zn5.2 -","8","0.0416667","BR1249","Doriguetto, Antônio C.; Fernandes, Nelson G.","Manganese-rich natural Franklinite","Acta Crystallographica Section C","1999","55","11","1751","1753","10.1107/S0108270199010045","","","0.71073","MoKα","","0.018","0.017","","","","0.026","","","","","","1.3","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009104","8.045","0.002","18.037","0.002","10.056","0.001","90","","99.27","0.01","90","","1440.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(Cyclopropylammonium)Cyclotetraphosphate Tetrahydrate","","- C12 H40 N4 O16 P4 -","- C12 H40 N4 O16 P4 -","- C24 H80 N8 O32 P8 -","2","0.5","CF1294","Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar","Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate","Acta Crystallographica Section C","1999","55","11","1932","1934","10.1107/S010827019900877X","","","0.71069","MoKα","","0.0396","0.0335","","","","0.0906","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009105","13.0824","0.0019","18.808","0.003","29.608","0.005","90","","90","","90","","7285","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen's Catalyst","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene) manganese(III) chloride: A Jacobsen's Catalyst","","- C36 H52 Cl Mn N2 O2 -","- C36 H52 Cl Mn N2 O2 -","- C288 H416 Cl8 Mn8 N16 O16 -","8","2","CF1320","Yoon, Jae Woong; Yoon, Tae-Sung; Lee, Soon Won; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-(‒)-[Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (<i>R</i>,<i>R</i>)-Jacobsen catalyst","Acta Crystallographica Section C","1999","55","11","1766","1769","10.1107/S0108270199009397","","","0.71073","MoKα","","0.065","0.048","","","","0.138","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009106","11.905","0.002","9.9448","0.0014","14.8508","0.0015","90","","110.079","0.01","90","","1651.4","0.4","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl5 O3 Zr -","- C18 H24 Cl10 O6 Zr2 -","- C36 H48 Cl20 O12 Zr4 -","2","0.5","CF1324","Coles, Simon J.; Hursthouse, Michael B.; Kelly, David G.; Walker, Neil M.","The salt of the di-μ-chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation","Acta Crystallographica Section C","1999","55","11","1789","1791","10.1107/S0108270199010355","","","0.71069","MoKα","","","0.036","","","","0.147","","","","","","0.975","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009107","12.0332","0.0006","10.5925","0.0006","12.1984","0.0007","90","","107.432","0.003","90","","1483.42","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H6 In O3 -","- Cl3 H6 In O3 -","- Cl24 H48 In8 O24 -","8","2","CF1325","Aris, Damian R.; Errington, William; Willey, Gerald R.","<i>fac</i>-Triaquatrichloroindium(III)","Acta Crystallographica Section C","1999","55","11","1746","1748","10.1107/S0108270199008793","","","0.71073","MoKα","","0.028","0.022","","","","0.048","","","","","","0.977","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009108","9.645","0.008","9.994","0.002","12.918","0.006","90","","90","","90","","1245.2","1.2","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(trimetylamine) aluminiumtrichloride","","- C6 H18 Al Cl3 N2 -","- C6 H18 Al Cl3 N2 -","- C24 H72 Al4 Cl12 N8 -","4","0.5","CF1327","Gelbrich, Thomas; Dümichen, Ulf; Sieler, Joachim","Bis-adduct of trimethylamine with aluminium trichloride","Acta Crystallographica Section C","1999","55","11","1797","1798","10.1107/S0108270199009658","","","0.71069","MoKα","","0.026","0.02","","","","0.059","","","","","","1.053","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009109","10.1159","0.0005","15.5291","0.0007","13.363","0.0006","90","","110.744","0.001","90","","1963.12","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl) Spiro (5-fluoro-3H-indol-3,2'-thiazolidine)-2,4'-(1H)-dione","","- C21 H17 F N4 O3 S -","- C21 H17 F N4 O3 S -","- C84 H68 F4 N16 O12 S4 -","4","1","CF1329","Jain, Subhash C.; Sinha, Juhi; Bhagat, Sunita; Babu, B. Ravindra; Bali, Shilpika","3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-5-fluorospiro[3<i>H</i>-indole-3,2'-thiazolidine]-2(1<i>H</i>),4'-dione","Acta Crystallographica Section C","1999","55","11","1826","1829","10.1107/S010827019900966X","","","0.71073","MoKα","","0.053","0.037","","0.097","0.09","","","","1.03","1.094","1.094","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009110","11.7637","0.0013","13.961","0.0015","9.6642","0.001","90","","113.054","0.003","90","","1460.4","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Diphenyl-5-acetoxyisoxazolidene","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","CF1330","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine","Acta Crystallographica Section C","1999","55","11","1829","1831","10.1107/S0108270199010367","","","0.71073","MoKα","","0.0955","0.0505","","","","0.123","","","","","","0.997","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009111","17.9115","0.0013","11.6279","0.0013","7.701","0.0007","90","","95.842","0.003","90","","1595.6","0.3","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-phenyl-3-(4-nitrophenyl)-5-acetoxyisoxazolidine","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","CF1330","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine","Acta Crystallographica Section C","1999","55","11","1829","1831","10.1107/S0108270199010367","","","0.71073","MoKα","","0.0632","0.0431","","","","0.0977","","","","","","0.912","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009112","17.3562","0.0019","6.0765","0.0006","15.8695","0.0017","90","","98.732","0.004","90","","1654.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(4-Chlorophenyl-N-methylcyanamide","","- C8 H7 Cl N2 -","- C8 H7 Cl N2 -","- C64 H56 Cl8 N16 -","8","1","CF1331","Cunningham, Ian D.; Light, Mark E.; Hursthouse, Michael B.","<i>N</i>-(4-Chlorophenyl)-<i>N</i>-methylcyanamide","Acta Crystallographica Section C","1999","55","11","1833","1835","10.1107/S0108270199010379","","","0.71073","MoKα","","","0.0486","","","","0.1408","","","","","","0.993","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009113","6.108","0.001","7.026","0.002","11.492","0.002","97.21","0.02","99.23","0.02","96.39","0.02","478.57","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bipyridine-5-sulfonic acid","","- C10 H8 N2 O3 S -","- C10 H8 N2 O3 S -","- C20 H16 N4 O6 S2 -","2","1","DA1080","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.","2,2'-Bipyridine-5-sulfonic acid","Acta Crystallographica Section C","1999","55","11","1921","1923","10.1107/S0108270199010203","","","0.71069","MoKα","","0.032","0.029","","0.082","0.077","","","","1.075","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009114","6.2452","0.0005","7.869","0.0006","24.151","0.0014","90","","90","","90","","1186.86","0.15","297","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C48 H72 N8 O12 -","4","1","DA1097","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüst, Yaşar","2,6-Dimethylspiro[1-oxa-2,5-diazabicyclo[3.3.0]octane-3,1'-cyclohexane]-4,6-dione","Acta Crystallographica Section C","1999","55","11","1943","1945","10.1107/S0108270199010082","","","1.54184","CuKα","","0.036","0.034","","","","0.106","","","","","","1.063","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009115","9.866","0.002","6.01","0.003","21.697","0.005","90","","99.58","0.01","90","","1268.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-endo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","FG1565","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-<i>endo</i> and the 2-<i>endo</i>-3-<i>exo</i> isomers","Acta Crystallographica Section C","1999","55","11","1905","1908","10.1107/S0108270199009245","","","0.71073","MoKα","","0.106","0.052","","","","0.122","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009116","7.646","0.002","10.799","0.004","15.446","0.005","90","","93.02","0.02","90","","1273.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-exo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","FG1565","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-<i>endo</i> and the 2-<i>endo</i>-3-<i>exo</i> isomers","Acta Crystallographica Section C","1999","55","11","1905","1908","10.1107/S0108270199009245","","","0.71073","MoKα","","0.067","0.044","","","","0.101","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009117","10.399","0.002","15.132","0.003","14.28","0.003","90","","91.21","0.03","90","","2246.6","0.8","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","FG1566","Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terry; Tavener, Stewart","A new polymorph of sulfathiazole","Acta Crystallographica Section C","1999","55","11","1831","1833","10.1107/S0108270199010112","","","0.71073","MoKα","","","0.046","","","","0.079","","","","","","0.858","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009118","12.269","0.002","6.081","0.001","20.176","0.002","90","","102.629","0.009","90","","1468.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl3 O Te -","- C12 H13 Cl3 O Te -","- C48 H52 Cl12 O4 Te4 -","4","1","FG1570","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Lemos, Francisco C.D.; Caracelli, I.","Acetonyldichloro[(<i>Z</i>)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV)","Acta Crystallographica Section C","1999","55","11","1930","1932","10.1107/S0108270199009269","","","0.71073","MoKα","","0.039","0.03","","","","0.086","","","","","","1.047","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009119","7.385","0.001","11.491","0.002","15.202","0.002","90","","101.94","0.01","90","","1262.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-3-Oxoglycyrrhetinic acid","(+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,-12aβ-heptamethyl -1,2,3,4,4a,5,6,6a,6b,7,8,8aα,9,10,11,12,12a,12bα,13,14bβ -icosahydropicene-2β-carboxylic acid","","- C30 H44 O4 -","- C30 H44 O4 -","- C60 H88 O8 -","2","1","FG1571","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid","Acta Crystallographica Section C","1999","55","11","1902","1905","10.1107/S0108270199010124","","","0.71073","MoKα","","0.061","0.041","","","","0.095","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009120","10.741","0.001","12.387","0.001","12.196","0.002","90","","112.61","0.01","90","","1497.9","0.3","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N3 O S -","- C17 H10 Cl N3 O S -","- C68 H40 Cl4 N12 O4 S4 -","4","1","FR1204","Özbey, Süheyla; Kendi, Engin; Tozkoparan, Birsen; Ertan, Mevlüt","6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-<i>b</i>]-1,2,4-triazol-5(6<i>H</i>)-one","Acta Crystallographica Section C","1999","55","11","1939","1941","10.1107/S0108270199009816","","","0.71069","MoKα","","","0.035","","","","0.045","","","","","","0.9","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009121","15.14","0.002","9.671","0.001","7.621","0.002","90","","117.85","0.01","90","","986.6","0.3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","acenaphthene-5,6-dicarboxylic anhydride","","","- C14 H8 O3 -","- C14 H8 O3 -","- C56 H32 O12 -","4","0.5","FR1213","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","C—H···O interactions in acenaphthene-5,6-dicarboxylic anhydride","Acta Crystallographica Section C","1999","55","11","1852","1854","10.1107/S0108270199009270","","","0.71073","MoKα","","","0.041","","","","0.079","","","","","","1.85","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009122","10.4475","0.0001","10.4475","0.0001","22.8183","0.0002","90","","90","","90","","2490.62","0.04","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","","- C24 H24 Br2 N2 O4 S2 -","- C24 H24 Br2 N2 O4 S2 -","- C96 H96 Br8 N8 O16 S8 -","4","0.5","FR1214","Şamil Işık; Sema Öztürk; Hoong-Kun Fun; Erbil Ag̃ar; Selami Şaşmaz","10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene","Acta Crystallographica Section C","1999","55","11","1850","1852","10.1107/S0108270199010136","","","0.71073","MoKα","","0.128","0.06","","","","0.141","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009123","4.963","0.001","10.458","0.002","28.31","0.004","90","","94.716","0.016","90","","1464.4","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","FR1217","Luck, Rudy L.; Bates, Dallas K.; Li, Kexue; Xia, Mingde","1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1<i>H</i>-indole <i>S</i>-oxide","Acta Crystallographica Section C","1999","55","11","1873","1874","10.1107/S0108270199010148","","","0.71069","MoKα","","","0.035","","","","0.104","","","","","","1.053","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009124","9.374","0.002","10.391","0.001","13.41","0.001","90","","105.54","0.01","90","","1258.5","0.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2',5'-dimethylbiphenyl-2-carboxylic acid","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","FR1218","Gerkin, Roger E.","2',5'-Dimethylbiphenyl-2-carboxylic acid","Acta Crystallographica Section C","1999","55","11","1859","1861","10.1107/S010827019900904X","","","0.71073","MoKα","","","0.056","","","","0.063","","","","","","1.52","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009125","5.318","0.001","23.1","0.001","7.619","0.002","90","","109.92","0.01","90","","880","0.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-(2-methylphenyl)propan-1-oic acid","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","FR1221","Gerkin, Roger E.","3-(2-Methylphenyl)propanoic acid","Acta Crystallographica Section C","1999","55","11","1857","1859","10.1107/S0108270199009063","","","0.71073","MoKα","","","0.051","","","","0.082","","","","","","1.44","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009126","17.4","0.003","27.085","0.002","6.119","0.002","90","","90","","90","","2883.8","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","FR1226","Aumiller, Wade D.; Gerkin, Roger E.","Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate","Acta Crystallographica Section C","1999","55","11","1855","1857","10.1107/S010827019900983X","","","0.71073","MoKα","","","0.063","","","","0.076","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009127","10.361","0.006","8.144","0.004","20.158","0.003","90","","101.299","0.008","90","","1668","1.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1-dimethylaminomethyl-8-dimethylammoniomethylnaphthalene) 3,4-dioxocyclobut-1-ene-1,2-diolate dihydrate","","- C36 H50 N4 O6 -","- C36 H50 N4 O6 -","- C72 H100 N8 O12 -","2","0.5","GD1043","Bouma, Barend; Kooijman, Huub; Kroon, Jan; Grech, Eugeniusz; Brzezinski, Bogumił","1,8-Bis(dimethylaminomethyl)naphthalene bis(squaric acid) dihydrate","Acta Crystallographica Section C","1999","55","11","1824","1826","10.1107/S0108270199009853","","","0.71073","MoKα","","0.0787","0.0483","","","","0.1366","","","","","","1.043","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009128","9.8833","0.001","17.9581","0.001","19.2752","0.001","90","","90.578","0.01","90","","3420.9","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(8-Dimethylamino-1-naphtyl)dimethylammonium 6-fluoro-2-(trifluoromethyl)-4-quinolinolate -6-fluoro-2-(trifluoromethyl)-4-quinolinol","","- C36 H31 F8 N5 O2 -","- C34 H28 F8 N4 O2 -","- C136 H112 F32 N16 O8 -","4","0.5","GD1044","Vergeer, Peter; Kooijman, Huub; Schreurs, Antoine M.M.; Kroon, Jan; Grech, Eugeniusz","1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate","Acta Crystallographica Section C","1999","55","11","1822","1824","10.1107/S0108270199009671","","","0.7173","MoKα","","0.0896","0.058","","","","0.12","","","","","","1.119","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009129","7.3872","0.0009","9.6082","0.0013","7.4972","0.0014","90","","115.444","0.01","90","","480.52","0.13","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-Pinononic acid","(+)-trans-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","GD1053","Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-<i>trans</i>-Pinononic acid: hydrogen-bonding patterns in a non-racemic δ-keto acid","Acta Crystallographica Section C","1999","55","11","1899","1902","10.1107/S0108270199010380","","","0.71073","MoKα","","0.041","0.035","","","","0.09","","","","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009130","8.623","0.002","8.631","0.0008","14.896","0.003","90","","102.848","0.009","90","","1080.9","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","yttrium sodium oxalate tetrahydrate","","","- C4 H8 Na O12 Y -","- C4 H8 Na O12 Y -","- C16 H32 Na4 O48 Y4 -","4","2","GS1049","Bataille, Thierry; Louër, Daniel","Yttrium sodium oxalate tetrahydrate, [Y(H~2~ O)]Na(C~2~O~4~)~2~^.^3H~2~O","Acta Crystallographica Section C","1999","55","11","1760","1762","10.1107/S0108270199009683","","","0.71073","MoKα","","0.115","0.042","","","","0.096","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009131","11.2968","0.0004","11.8091","0.0007","12.8835","0.001","90","","90","","90","","1718.72","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0533","0.0402","","","","0.1118","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009132","11.2963","0.0008","11.8026","0.0011","12.8831","0.0011","90","","90","","90","","1717.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0482","0.0354","","","","0.098","","","","","","0.988","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009133","11.963","0.002","7.824","0.002","17.573","0.002","90","0.02","106.9","0.02","90","0.03","1573.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Salannin","Salannin","","- C34 H44 O9 -","- C34 H44 O9 -","- C68 H88 O18 -","2","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.08","0.058","","","","0.212","","","","","","0.833","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009134","7.236","0.003","12.764","0.004","31.892","0.004","90","","90","","90","","2945.6","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deacetylsalannin","3-deacetylsalannin","","- C32 H42 O8 -","- C32 H42 O8 -","- C128 H168 O32 -","4","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.05","0.044","","","","0.134","","","","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009135","29.0676","0.0002","8.8013","0.0001","18.447","0.0001","90","","125.978","0.001","90","","3819.1","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate","","- C16 H22 Fe N6 O S2 -","- C16 H22 Fe N6 O S2 -","- C128 H176 Fe8 N48 O8 S16 -","8","1","HA1259","Wen Xiao; Zhong-Lin Lu; Rui-Ying Li; Cheng-Xong Su; Bei-Sheng Kang; S. Shanmuga Sundara Raj; Hoong-Kun Fun","1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate","Acta Crystallographica Section C","1999","55","11","1762","1764","10.1107/S0108270199008811","","","0.71073","MoKα","","0.056","0.038","","","","0.092","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009136","11.611","0.005","10.297","0.006","13.165","0.003","90","","115.58","0.03","90","","1419.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 Ni S -","- C13 H11 Cl N4 Ni S -","- C52 H44 Cl4 N16 Ni4 S4 -","4","1","HA1262","Liu, Ze-Hua; Liu, Yong-Jiang; Duan, Chun-Ying; You, Xiao-Zeng","(2-Benzoylpyridine-<i>N</i> thiosemicarbazonato-<i>N</i>^1^,<i>S</i>)chloronickel(II)","Acta Crystallographica Section C","1999","55","11","1804","1806","10.1107/S0108270199008823","","","0.71073","MoKα","","0.065","0.038","","0.091","0.08","","","","1.024","1.076","1.076","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009137","9.919","0.001","12.898","0.002","14.045","0.002","90","","101.983","0.005","90","","1757.7","0.4","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,10,13,18-tetraazatetracyclo[8.6.6.0^3,8^]docasa-3,5,7-triene-11,17-dione monohydrate","","- C18 H28 N4 O3 -","- C18 H28 N4 O3 -","- C72 H112 N16 O12 -","4","1","HA1263","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","An <i>o</i>-xylyl cross-bridged 5,12-dioxocyclam","Acta Crystallographica Section C","1999","55","11","1888","1889","10.1107/S0108270199008835","","","0.71073","MoKα","","0.071","0.047","","","0.124","0.137","","","","","","1.061","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009138","10.7311","0.0007","23.123","0.002","11.0657","0.0008","90","","112.043","0.004","90","","2545.1","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","14,14-Dimethyl-12-oxa-tricyclo[9.2.1.03,8]tetradeca- 3,5,7-trien-13-one","","- C15 H18 O2 -","- C15 H13.5 O2 -","- C120 H108 O16 -","8","2","JA1001","Zimmer, Reinhold; Zahn, Gernot; Khan, Faiz Ahmed; Reissig, Hans-Ulrich","Configurational analysis of 14,14-dimethyl-12-oxatricyclo[9.2.1.0^3,8^]tetradeca-3,5,7-trien-13-one","Acta Crystallographica Section C","1999","55","11","1941","1943","10.1107/S0108270199009014","","","0.71073","MoKα","","0.0943","0.0514","","","","0.1185","","","","","","1.138","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009139","8.906","0.001","18.295","0.002","21.855","0.003","90","","90","","90","","3561","0.7","291","2","18","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","phenanthroline‒tetraaqua‒zinc(II) sulfate dihydrate","","- C12 H20 N2 O10 S Zn -","- C12 H20 N2 O10 S Zn -","- C96 H160 N16 O80 S8 Zn8 -","8","1","JA1003","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate","Acta Crystallographica Section C","1999","55","11","1815","1817","10.1107/S0108270199009294","","","0.71073","MoKα","","0.073","0.035","","0.077","","0.07","","","0.841","","","1.008","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2009140","11.101","0.002","8.404","0.002","12.836","0.003","90","","92.68","0.03","90","","1196.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","JZ1351","Wolska, Irena; Herold, Franciszek","4-Phenyl-2,3,5,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>c</i>]pyrimidine-1,3-dione","Acta Crystallographica Section C","1999","55","11","1950","1952","10.1107/S0108270199009026","","","1.54178","CuKα","","0.0473","0.0419","","0.1397","","0.1194","","","1.049","","","1.102","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009141","11.015","0.002","7.678","0.003","30.045","0.004","90","","99.02","0.01","90","","2509.6","1.1","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C30 H50 -","- C30 H50 -","- C120 H200 -","4","2","JZ1362","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Hernández Silva, Margarita; García, Candelaria; Alfayate, M. Carmen; Bermejo, Jaime","Filic-3-ene, a pentacyclic triterpene from <i>Davallia canariensis</i>","Acta Crystallographica Section C","1999","55","11","1835","1837","10.1107/S0108270199009762","","","0.71073","MoKα","","0.1598","0.0598","","","","0.1971","","","","","","0.884","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009142","8.762","0.001","9.596","0.002","16.363","0.003","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan- 2,8-dione","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","JZ1363","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Bermejo, Jaime; Medjroubi, Kamel","4β,15-Dihydro-3-dehydrosolstitialin A","Acta Crystallographica Section C","1999","55","11","1837","1839","10.1107/S010827019900918X","","","0.71073","MoKα","","0.045","0.034","","","","0.098","","","","","","1.031","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009143","9.377","0.002","9.94","0.001","15.344","0.002","93.06","0.02","98.17","0.03","98.23","0.02","1397.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diacetato-bis(3-amino-5-phenylpyrazole)zinc(II)","","- C24 H32 N6 O6 Zn -","- C24 H32 N6 O6 Zn -","- C48 H64 N12 O12 Zn2 -","2","1","KA1325","Jaćimović, Zeljko K.; Tomić, Zoran D.; Bogdanović, Goran A.; Ivegeš, Erika Z.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH~3~COO)~2~<i>L</i>~2~]^.^2MeOH (<i>L</i> = 3-amino-5-phenylpyrazole)","Acta Crystallographica Section C","1999","55","11","1769","1771","10.1107/S0108270199010331","","","0.71073","MoKα","","0.0845","0.0506","","0.1643","","0.1459","","","1.027","","","1.131","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2009144","5.826","0.001","17.925","0.004","17.949","0.004","90","","90","","90","","1874.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl5 N2 Sb -","- C8 H24 Cl5 N2 Sb -","- C32 H96 Cl20 N8 Sb4 -","4","1","KA1330","Bujak, Maciej; Zaleski, Jacek","Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III)","Acta Crystallographica Section C","1999","55","11","1775","1778","10.1107/S0108270199009464","","","0.71073","MoKα","","0.04","0.03","","","","0.079","","","","","","1.121","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009145","7.5598","0.0001","15.5263","0.0002","13.0732","0.0002","90","","98.1394","0.001","90","","1519.02","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxyphenyl)-1-(2,4-dinitrophenyl)-4-methyl-1H-pyrazole.","","- C16 H12 N4 O5 -","- C16 H12 N4 O5 -","- C64 H48 N16 O20 -","4","1","KA1331","Jeyakanthan, J.; Velmurugan, D.; Selvi, S.; Perumal, P. T","1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-4-methyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","1999","55","11","1926","1928","10.1107/S0108270199008276","","","1.5418","CuKα","","0.0777","0.0524","","","","0.2397","","","","","","1.094","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009146","7.242","0.0014","10.862","0.002","14.2846","0.0016","90","","90","","90","","1123.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-2'-deoxyadenosine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.035","0.033","","","","0.088","","","","","","1.065","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009147","5.869","0.0006","10.8869","0.0013","17.5477","0.0014","90","","90","","90","","1121.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(2'-deoxy-α-D-erythro-pentofuranosyl)-8-aza-7-deazaadenine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.046","0.041","","","","0.11","","","","","","1.065","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009148","18.864","0.008","14.476","0.004","5.473","0.001","90","","90","","90","","1494.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Carpaine","Carpaine","","- C28 H50 N2 O4 -","- C28 H50 N2 O4 -","- C56 H100 N4 O8 -","2","0.5","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0462","0.0413","","","","0.1363","","","","","","1.438","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009149","11.96","0.001","7.403","0.001","18.978","0.001","90","0.01","99.67","0.01","90","0.01","1656.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Carpaine hydrobromide","Carpaine hydrobromide","","- C28 H54 Br2 N2 O5 -","- C28 H54 Br2 N2 O5 -","- C56 H108 Br4 N4 O10 -","2","1","NA1417","V.Kabaleeswaran; S.S.Rajan; G.N.Krishnakumari; T.R.Govindachari","Conformational flexibility of carpaine and its hydrobromide derivative","Acta Crystallographica Section C","1999","55","11","1935","1937","10.1107/S0108270199008938","","","1.5418","CuKα","","0.0536","0.0359","","","","0.0908","","","","","","1.101","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009150","13.4224","0.0001","11.1181","0.0001","7.5341","0.0006","90","","97.761","0.003","90","","1114.03","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(picolinoyl)hydrazine","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C48 H40 N16 O8 -","4","0.5","NA1420","Sichang Shao; Dunru Zhu; You Song; Xiao Zeng You; S. Shanmuga Sundara Raj; Hoong-Kun Fun","<i>N</i>,<i>N</i>'-Bis(picolinoyl)hydrazine","Acta Crystallographica Section C","1999","55","11","1841","1843","10.1107/S0108270199009890","","","0.71073","MoKα","","0.072","0.052","","","","0.146","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009151","9.341","0.0001","9.8782","0.0001","12.4671","0.0002","87.427","0.001","88.548","0.001","88.604","0.001","1148.53","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-2-(n-morpholinomethyl)-1-phenol","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C44 H56 Cl4 N4 O8 -","4","2","NA1421","Hoong-Kun Fun; S. Shanmuga Sundara Raj; Kandasamy Chinnakali; Jing-Zhi Tian; Zhen Shen; Jin-Qi Zhang; Xiao-Zeng You","4-Chloro-2-(morpholinomethyl)phenol","Acta Crystallographica Section C","1999","55","11","1843","1845","10.1107/S0108270199009907","","","0.71073","MoKα","","0.154","0.065","","","","0.205","","","","","","1.007","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009152","12.783","0.004","16.645","0.003","9.834","0.003","90","","90","","90","","2092.4","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)] diphenolato-O,N,N',O'}oxovanadium(IV)","","","- C21 H24 N2 O5 V -","- C21 H24 N2 O5 V -","- C84 H96 N8 O20 V4 -","4","1","OA1089","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>endo</i>-{6,6'-Diethoxy-2,2'-[(<i>R</i>)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxovanadium(IV)","Acta Crystallographica Section C","1999","55","11","1812","1813","10.1107/S0108270199008847","","","0.71073","MoKα","","0.067","0.048","","","","0.12","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009153","7.419","0.002","7.419","","19.935","0.004","90","","90","","90","","1097.3","0.4","293","","293","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","Dichlorobis(pyrimidine)cobalt(II)","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C32 H32 Cl8 Co4 N16 -","4","0.25","OA1090","Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko","Dichlorobis(pyrimidine-<i>N</i>)cobalt(II) and its bromo derivative","Acta Crystallographica Section C","1999","55","11","1793","1797","10.1107/S0108270199009221","","","0.71073","MoKα","","0.042","0.031","","","","0.0735","","","","","","1.025","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009154","7.576","0.001","7.576","","19.889","0.002","90","","90","","90","","1141.54","0.19","293","","293","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","Dibromobis(pyrimidine)cobalt(II)","","- C8 H8 Br2 Co N4 -","- C8 H8 Br2 Co N4 -","- C32 H32 Br8 Co4 N16 -","4","0.25","OA1090","Hashizume, Daisuke; Takayama, Ryo; Nakayama, Kensuke; Ishida, Takayuki; Nogami, Takashi; Yasui, Masanori; Iwasaki, Fujiko","Dichlorobis(pyrimidine-<i>N</i>)cobalt(II) and its bromo derivative","Acta Crystallographica Section C","1999","55","11","1793","1797","10.1107/S0108270199009221","","","0.71073","MoKα","","0.0636","0.051","","","","0.1398","","","","","","1.037","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009155","7.357","0.002","15.528","0.002","15.137","0.002","90","","94.68","0.02","90","","1723.5","0.6","293.2","","293.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl2 N4 O2 Pt -","- C14 H20 Cl2 N4 O2 Pt -","- C56 H80 Cl8 N16 O8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.041","0.026","","0.08","","0.08","","","0.929","","","0.929","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2009156","7.483","0.004","15.061","0.004","18.836","0.005","90","","99.7","0.04","90","","2092.5","1.4","295.2","","295.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 F12 N4 P2 Pt -","- C14 H16 F12 N4 P2 Pt -","- C56 H64 F48 N16 P8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.061","0.046","","0.669","","0.127","","","5.962","","","1.306","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2009157","10.8176","0.0018","9.7701","0.0013","15.242","0.003","90","","108.832","0.018","90","","1524.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-[phenyl(2,4,6-tri-tert-butylphenyl)selenonio]-4-toluenesulfonamidate","","- C31 H41 N O2 S Se -","- C31 H41 N O2 S Se -","- C62 H82 N2 O4 S2 Se2 -","2","1","OA1092","Yasui, Masanori; Taka, Hideo; Shimizu, Toshio; Kamigata, Nobumasa; Iwasaki, Fujiko","Absolute configuration of 2,4,6-tri-<i>tert</i>-butyl-diphenylselenonium-<i>N</i>-toluene-4'-sulfonimide","Acta Crystallographica Section C","1999","55","11","1861","1862","10.1107/S0108270199008860","","","0.71073","MoKα","","0.063","0.039","","","","0.105","","","","","","1.033","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009158","13.356","0.005","23.06","0.005","14.719","0.005","90","0.005","90","0.005","90","0.005","4533","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H25 Ca N3 O5 S2 -","- C19 H25 Ca N3 O5 S2 -","- C152 H200 Ca8 N24 O40 S16 -","8","1","OB1014","Kubo, Kanji; Yamamoto, Emi; Kato, Nobuo; Mori, Akira","<i>N</i>-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate","Acta Crystallographica Section C","1999","55","11","1819","1821","10.1107/S0108270199009300","","","1.54184","CuKα","","0.061","0.04","","","","0.117","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009159","8.296","0.005","6.654","0.002","10.993","0.002","90","","101.6","0.03","90","","594.4","0.4","297","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C20 H12 Cl4 N4 O8 -","2","0.25","OB1016","Ishida, Hiroyuki; Kashino, Setsuo","1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks","Acta Crystallographica Section C","1999","55","11","1923","1926","10.1107/S0108270199009841","","","0.71073","MoKα","","0.039","0.037","","0.087","","0.084","","","1.76","","","1.76","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009160","9.222","0.002","9.241","0.004","8.644","0.004","116.26","0.03","113.55","0.03","92.65","0.03","582.9","0.5","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","OB1016","Ishida, Hiroyuki; Kashino, Setsuo","1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks","Acta Crystallographica Section C","1999","55","11","1923","1926","10.1107/S0108270199009841","","","0.71073","MoKα","","0.046","0.045","","0.079","","0.077","","","1.51","","","1.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009161","13.142","0.01","15.479","0.008","14.712","0.006","90","","109.83","0.04","90","","2815","3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloro-(meso-tetrapropylporphyrinato)-iron(III)","","- C32 H36 Cl Fe N4 -","- C32 H36 Cl Fe N4 -","- C128 H144 Cl4 Fe4 N16 -","4","1","OB1017","Ohgo, Yoshiki; Ikeue, Takahisa; Nakamura, Mikio","Chloro(<i>meso</i>-tetrapropylporphyrinato)iron(III)","Acta Crystallographica Section C","1999","55","11","1817","1819","10.1107/S0108270199009312","","","0.71069","MoKα","","0.1109","0.052","","","","0.208","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009162","3.3504","0.0003","5.8341","0.0007","12.07","0.005","90","","90","","90","","235.93","0.1","296.2","","295","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Fe0.33 In O3.33 Ti0.67 -","- Fe0.33 In O3.33 Ti0.67 -","- Fe1.32 In4 O13.32 Ti2.68 -","4","0.25","OH1115","Michiue, Yuichi; Brown, Francisco; Kimizuka, Noboru; Watanabe, Mamoru; Orita, Masahiro; Ohta, Hiromichi","Orthorhombic InFe~0.33~Ti~0.67~O~3.33~","Acta Crystallographica Section C","1999","55","11","1755","1757","10.1107/S0108270199009038","","","0.7107","MoKα","","0.0508","0.0323","","0.0569","","0.0569","","","3.957","","","3.957","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009163","16.249","0.002","16.3338","0.0012","17.414","0.003","81.362","0.01","87.18","0.012","67.335","0.009","4216.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris[3,6-bis(2'-pyridyl)pyridazine-N^1^,N^6^]nickel(II) diperchlorate 0.11-hydrate","","- C42 H30.22 Cl2 N12 Ni O8.11 -","- C42 H30.226 Cl2 N12 Ni O8.113 -","- C168 H120.904 Cl8 N48 Ni4 O32.452 -","4","2","OS1057","Jau-Shuenn Wang; Chou-Fu Sheu; Jung-Si Lee","Tris[3,6-bis(2-pyridyl)pyridazine-<i>N</i>^1^,<i>N</i>^6^]nickel(II) diperchlorate 0.11-hydrate","Acta Crystallographica Section C","1999","55","11","1806","1809","10.1107/S0108270199009087","","","0.71073","MoKα","","0.096","0.057","","0.168","0.139","","","","1.046","1.081","1.081","","","","","has coordinates","211159","2020-10-21","18:00:00",""
"2009164","5.4902","0.0007","10.2004","0.0012","12.373","0.003","90","","100.783","0.014","90","","680.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Calcium dibarium bis(hydrogenphosphate) bis(dihydrogenphosphate)","","- Ba2 Ca H6 O16 P4 -","- Ba2 Ca H6 O16 P4 -","- Ba4 Ca2 H12 O32 P8 -","2","0.5","OS1058","Ben Tahar, Lotfi; Smiri, Leila; Driss, Ahmed","Refinement of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~","Acta Crystallographica Section C","1999","55","11","1757","1759","10.1107/S0108270199009427","","","0.71073","MoKα","","0.032","0.02","","0.047","","0.043","","","1.078","","","1.119","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009165","9.0081","0.001","9.5235","0.001","11.934","0.0013","97.054","0.009","105.34","0.009","106.471","0.009","924.9","0.19","295","","","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu Hg N2 O2 -","- C17 H16 Br2 Cu Hg N2 O2 -","- C34 H32 Br4 Cu2 Hg2 N4 O4 -","2","1","OS1060","Kaynak, F. Betül; Ülkü, Dinçer; Atakol, Orhan; Durmus̨, Sefa","{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dibromomercury(II)","Acta Crystallographica Section C","1999","55","11","1784","1785","10.1107/S0108270199009191","","","0.71073","MoKα","","","0.024","","","","0.032","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009166","15.502","0.007","10.91","0.004","3.848","0.001","90","","90","","90","","650.8","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium heptaoxide chloride","","- Cl Nb3 O7 -","- Cl Nb3 O7 -","- Cl4 Nb12 O28 -","4","0.5","QA0167","Kim, Jongmin; Dong, Yongkwan; Yun, Hoseop","Redetermination of Nb~3~O~7~Cl","Acta Crystallographica Section C","1999","55","11","IUC9900133","","10.1107/S0108270199098601","","","0.7107","MoKα","","0.038","0.037","","","","0.0981","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009167","28.91","0.003","5.519","0.001","8.601","0.002","90","","95.25","0.01","90","","1366.6","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,5-Diphenylpentane-2,4-dione","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","0.5","QA0181","Pulkkinen, Juha T.; Ahlgrén, Markku J.","1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione","Acta Crystallographica Section C","1999","55","11","IUC9900142","","10.1107/S0108270199098546","","","1.54178","CuKα","","0.04","0.035","","","","0.098","","","","","","1.071","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009168","37.501","0.008","5.805","0.001","8.313","0.002","90","","90.09","0.03","90","","1809.7","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,5-Di-(2-naphtyl)pentane-2,4-dione","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","0.5","QA0181","Pulkkinen, Juha T.; Ahlgrén, Markku J.","1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione","Acta Crystallographica Section C","1999","55","11","IUC9900142","","10.1107/S0108270199098546","","","0.71073","MoKα","","0.0794","0.0441","","","","0.0931","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009169","14.9099","0.0013","14.9099","0.0013","8.548","0.002","90","","90","","90","","1900.3","0.5","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","5-Hydroxy-1-phosphabicyclo[3.3.1]nonansulfide","","- C8 H15 O P S -","- C8 H15 O P S -","- C64 H120 O8 P8 S8 -","8","1","QA0182","Ziemer, Burkhard; Krauss, Babett","5-Hydroxy-1-phosphabicyclo[3.3.1]nonane <i>P</i>-sulfide","Acta Crystallographica Section C","1999","55","11","IUC9900143","","10.1107/S0108270199098534","","","0.71073","MoKα","","0.021","0.02","","0.055","0.054","","","","1.079","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009170","13.108","0.003","11.694","0.002","13.41","0.003","90","","116.71","0.02","90","","1836.2","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1-Phosphabicyclo[4.3.0]nonansulfide","","- C8 H15 P S -","- C8 H15 P S -","- C64 H120 P8 S8 -","8","2","QA0183","Krauss, Babett; Ziemer, Burkhard","<i>cis</i>-1-Phosphabicyclo[4.3.0]nonane <i>P</i>-sulfide","Acta Crystallographica Section C","1999","55","11","IUC9900148","","10.1107/S0108270199098522","","","0.71073","MoKα","","0.058","0.035","","0.105","0.079","","","","0.925","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009171","12.208","0.0015","8.4399","0.0012","16.375","0.003","90","","100.429","0.01","90","","1659.3","0.4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ap 9-(o-Isopropylphenyl)-9-fluorenol","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","QB0106","Hou, Yuqing; Robinson, Paul D.; Meyers, Cal Y.","<i>ap</i>-9-(<i>o</i>-Isopropylphenyl)-9-fluorenol","Acta Crystallographica Section C","1999","55","11","IUC9900144","","10.1107/S0108270199098510","","","0.71069","MoKα","","0.116","0.036","","","","0.114","","","","","","1.001","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009172","8.746","0.005","23.837","0.005","9.982","0.005","90","","125.43","0.03","90","","1695.7","1.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","AP-9-(o-isopropylphenyl)-9-fluorenyl Peroxide","","- C44 H38 O2 -","- C44 H38 O2 -","- C88 H76 O4 -","2","0.5","QB0107","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.","<i>ap</i>-9-(<i>o</i>-Isopropylphenyl)-9-fluorenyl peroxide","Acta Crystallographica Section C","1999","55","11","IUC9900147","","10.1107/S0108270199098509","","","0.71069","MoKα","","0.137","0.04","","","","0.121","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009173","8.1295","0.0011","13.7607","0.0013","10.0224","0.0019","90","","107.804","0.01","90","","1067.5","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S,R~S~)-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenyl- sulfonimidoylmethyl}-4-hydroxy-3-methyl-1-azabicyclo[3.3.0]octane","","- C21 H34 N2 O3 S -","- C21 H34 N2 O3 S -","- C42 H68 N4 O6 S2 -","2","1","QB0109","Heinrich, Timo; Reggelin, Michael; Bats, Jan W.","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,<i>R</i>~S~)-4-Hydroxy-2-{<i>N</i>-[(<i>R</i>)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K","Acta Crystallographica Section C","1999","55","11","IUC9900131","","10.1107/S0108270199098492","","","0.71073","MoKα","","0.0835","0.0633","","","","0.1417","","","","","","1.277","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009174","9.0144","0.0003","18.0745","0.0004","9.1181","0.0003","90","","90.548","0.002","90","","1485.55","0.08","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Hydroxyisochroman-3-one","","- C9 H8 O3 -","- C9 H8 O3 -","- C72 H64 O24 -","8","2","QB0110","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","4-Hydroxyisochroman-3-one","Acta Crystallographica Section C","1999","55","11","IUC9900138","","10.1107/S0108270199098480","","","0.71073","MoKα","","0.064","0.04","","","","0.105","","","","","","0.994","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009175","27.22","0.003","4.1574","0.0006","17.2303","0.0014","90","","123.817","0.006","90","","1620","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Dihydrobenzo[c]thiophene-1-carboxylic Acid","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C72 H64 O16 S8 -","8","1","QB0112","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","1,3-Dihydrobenzo[<i>c</i>]thiophene-1-carboxylic acid","Acta Crystallographica Section C","1999","55","11","IUC9900139","","10.1107/S0108270199098479","","","0.71073","MoKα","","0.049","0.036","","","","0.098","","","","","","1.088","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009176","7.9452","0.0003","3.9485","0.0002","8.7627","0.0004","90","","102.119","0.003","90","","268.77","0.02","100","0.1","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","2-Hydroxy-N-methylcyanoacetamide","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","1","QB0114","Kresge, A. J.; Lough, Alan J.; Popik, V. V.","2-Hydroxy-<i>N</i>-methylcyanoacetamide","Acta Crystallographica Section C","1999","55","11","IUC9900140","","10.1107/S0108270199098467","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.066","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009177","7.108","0.001","25.795","0.001","10.69","0.001","90","","94.88","0.01","90","","1952.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Napthalene-2,3-diolato)(1,3-diphenylpropen-1,3-diolato)boron","","- C25 H17 B O4 -","- C25 H17 B O4 -","- C100 H68 B4 O16 -","4","1","QB0115","Lim, Hock Chuan; Tou, Teck Yong; Ng, Seik Weng; Huang, You-Qing; Hu, Sheng-Zhi; Rapta, Peter; Chow, Yuan L.; Ishiyama, Jun-Ichi","(1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron","Acta Crystallographica Section C","1999","55","11","IUC9900135","","10.1107/S0108270199098455","","","1.54178","CuKα","","0.095","0.06","","","","0.18","","","","","","1.014","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009178","9.986","0.001","14.823","0.002","9.514","0.001","98.24","0.01","91.32","0.01","80.49","0.01","1374.6","0.3","297","","","","","","","","","","","3","P 1","P 1","1","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C68 H68 O8 -","2","2","QB0116","Hamazaki, Hiroshi; Hosomi, Hiroyuki; Ohba, Shigeru","A triclinic polymorph of (<i>R</i>,<i>R</i>)-(‒)-<i>trans</i>-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1999","55","11","IUC9900132","","10.1107/S0108270199098443","","","0.71073","MoKα","","","0.035","","","","0.083","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009179","11.964","0.003","10.021","0.003","25.021","0.006","90","","94.69","0.02","90","","2989.8","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","fac-[aqua-tricarbonyl-(1,2-bis(diphenylphosphino)ethane-P,P')manganese] tetrafluoroborate","","- C29 H26 B F4 Mn O4 P2 -","- C29 H26 B F4 Mn O4 P2 -","- C116 H104 B4 F16 Mn4 O16 P8 -","4","1","QB0117","Becker, Thomas M.; Krause Bauer, Jeanette A.","<i>fac</i>-Aqua[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']tricarbonylmanganese tetrafluoroborate (monoclinic form)","Acta Crystallographica Section C","1999","55","11","IUC9900141","","10.1107/S010827019909856X","","","0.71073","MoKα","","0.097","0.054","","0.279","","0.126","","","","","","1.059","","","","has coordinates,has Fobs","201201","2020-10-21","18:00:00",""
"2009180","4.9511","0.001","8.0427","0.0016","8.4362","0.0017","90","","90","","90","","335.93","0.12","293","2","293","2","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ag2 Ba -","- Ag2 Ba -","- Ag8 Ba4 -","4","0.25","QB0118","Kang, Sung Kwon; Miller, Gordon J.","BaAg~2~","Acta Crystallographica Section C","1999","55","11","IUC9900134","","10.1107/S0108270199098595","","","0.71073","MoKα","","0.057","0.037","","","","0.074","","","","","","1.277","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009181","10.72","0.002","10.7","0.002","15.35","0.002","90","","90","","90","","1760.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 N2 O4 -","- C9 H6 N2 O4 -","- C72 H48 N16 O32 -","8","1","QB0119","Kovalevsky, A. Yu.; Ponomarev, I. I.","2-Methyl-7-nitro-4<i>H</i>-3,1-benzoxazin-4-one","Acta Crystallographica Section C","1999","55","11","IUC9900136","","10.1107/S0108270199098431","","","0.71073","MoKα","","0.072","0.041","","0.149","","0.119","","","1","","","1.195","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009182","10.8394","0.0006","10.9358","0.0006","12.7335","0.0007","83.858","0.001","66.789","0.001","84.065","0.001","1376.16","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Dipyridyl-N,N')bis(1,1,1- trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)","","- C30 H20 F6 Mn N2 O4 -","- C30 H20 F6 Mn N2 O4 -","- C60 H40 F12 Mn2 N4 O8 -","2","1","QB0121","Dickman, Michael H.","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-<i>O</i>,<i>O</i>')manganese(II) at 173K","Acta Crystallographica Section C","1999","55","11","IUC9900146","","10.1107/S0108270199098558","","","0.71073","MoKα","","0.076","0.045","","","","0.13","","","","","","1.014","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009183","9.563","0.002","9.563","0.002","23.347","0.005","90","","90","","90","","2135.1","0.8","150","2","150","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tetrachloro(1,2-dimethoxyethane)titanium(IV)","","- C4 H10 Cl4 O2 Ti -","- C4 H10 Cl4 O2 Ti -","- C32 H80 Cl32 O16 Ti8 -","8","0.5","QB0122","Batsanov, Andrei S.; Howard, Judith A. K.; Hughes, Andrew K.; Kingsley, Andrew J.","Tetrachloro(1,2-dimethoxyethane-<i>O</i>,<i>O</i>')titanium(IV)","Acta Crystallographica Section C","1999","55","11","IUC9900137","","10.1107/S0108270199098571","","","0.71073","MoKα","","0.02","0.019","","","","0.052","","","","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009184","8.5812","0.001","9.9084","0.0011","5.8016","0.0009","90","","105.128","0.01","90","","476.19","0.11","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H Na2 O5 P Zn -","- H Na2 O5 P Zn -","- H4 Na8 O20 P4 Zn4 -","4","1","QB0123","Ng, Hunt Y.; Harrison, William T. A.","Sodium zinc phosphate hydroxide, Na~2~Zn(OH)PO~4~","Acta Crystallographica Section C","1999","55","11","IUC9900145","","10.1107/S0108270199098583","","","0.71073","MoKα","","","0.0295","","","","0.0307","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009185","6.3618","0.0014","7.5586","0.0012","11.059","0.002","90","","90","","90","","531.79","0.17","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F5 H8 N2 Ti -","- F5 H8 N2 Ti -","- F20 H32 N8 Ti4 -","4","0.5","SK1262","Dadachov, Mike; Eriksson, Lars","Diammonium titanium pentafluoride, (NH~4~)~2~TiF~5~, containing Ti^3+^","Acta Crystallographica Section C","1999","55","11","1739","1741","10.1107/S0108270199008689","","","0.71073","MoKα","","0.0779","0.0333","","","","0.0649","","","","","","0.737","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009186","21.897","0.002","6.8919","0.0005","21.694","0.002","90","","90.953","0.007","90","","3273.4","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","21,22,23,24-Tetraoxaquaterene-2,7,12,17-tetraspirocyclohexane","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","0.5","SK1288","Pajewski, Robert; Pęcak, Agnieszka; Ostaszewski, Ryszard; Jurczak, Janusz","Tetracyclohexyloxaquaterene","Acta Crystallographica Section C","1999","55","","1862","1864","10.1107/S0108270199009099","","","1.54178","CuKα","","0.067","0.051","","0.146","","0.135","","","1.154","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009187","28.194","0.001","9.5793","0.0004","6.905","0.0003","90","","90","","90","","1864.89","0.13","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-Nitroisophthalic acid hydrate","","- C8 H7 N O7 -","- C8 H7 N O7 -","- C64 H56 N8 O56 -","8","1","SK1301","Ajit Kumar Mahapatra; Avijit Adak; Shyamaprosad Goswami; Gur Dayal Nigam; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Ibrahim Abdul Razak; Hoong-Kun Fun","5-Nitroisophthalic acid hydrate","Acta Crystallographica Section C","1999","55","11","1845","1847","10.1107/S0108270199009105","","","0.71073","MoKα","","0.105","0.056","","","","0.127","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009188","9.6596","0.0018","7.0354","0.0012","12.436","0.002","90","","90","","90","","845.1","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Rubidiumtetrathiomolybdat","dirubidium tetrasulfidomolybdate(2-)","","- Mo Rb2 S4 -","- Mo Rb2 S4 -","- Mo4 Rb8 S16 -","4","0.5","SK1304","Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang","Rb~2~MoS~4~","Acta Crystallographica Section C","1999","55","11","1748","1751","10.1107/S0108270199008549","","","0.71073","MoKα","","0.048","0.027","","","","0.066","","","","","","0.998","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009189","19.7378","0.001","5.5717","0.0002","25.6759","0.0011","90","","128.311","0.003","90","","2215.6","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridyl‒4,4‒thiodiphenol (3/2)","","- C54 H44 N6 O4 S2 -","- C54 H44 N6 O4 S2 -","- C108 H88 N12 O8 S4 -","2","0.5","SK1306","Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","Centrosymmetric molecular strings in the hydrogen-bonded structure of 4,4'-bipyridyl‒4,4'-thiodiphenol (3/2)","Acta Crystallographica Section C","1999","55","11","1890","1892","10.1107/S0108270199008963","","","0.71073","MoKα","","0.0774","0.0405","","","","0.1016","","","","","","0.956","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009190","21.097","0.005","5.356","0.007","26.09","0.004","90","","107.173","0.013","90","","2817","4","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-phenyl-5-benzylidene-rhodanine","3-phenyl-5-(phenylmethylidene)-2-thioxo-1,3-thiazolidin-4-one","","- C16 H11 N O S2 -","- C16 H11 N O S2 -","- C128 H88 N8 O8 S16 -","8","1","SK1307","Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz","A rhodanine derivative and its cycloadduct with diphenyl nitrile imine","Acta Crystallographica Section C","1999","55","11","1877","1881","10.1107/S0108270199008975","","","0.71069","MoKα","","0.0729","0.0481","","","","0.1582","","","","","","1.032","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009191","9.91","0.003","16.737","0.003","14.412","0.002","90","","93.571","0.017","90","","2385.8","0.9","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,9-triphenyl-7-(phenymethylidene)-1,6-dithia-3,4,9- triazaspiro[4.4]non-2-en-8-one","","- C29 H21 N3 O S2 -","- C29 H21 N3 O S2 -","- C116 H84 N12 O4 S8 -","4","1","SK1307","Linden, Anthony; Awad, Enas M. A. H.; Heimgartner, Heinz","A rhodanine derivative and its cycloadduct with diphenyl nitrile imine","Acta Crystallographica Section C","1999","55","11","1877","1881","10.1107/S0108270199008975","","","0.71069","MoKα","","0.0747","0.0431","","","","0.1152","","","","","","1.035","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009192","10.7817","0.0003","7.4435","0.0002","15.9041","0.0004","90","","95.405","0.001","90","","1270.69","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-bis[2-(2-aminoethyl)pyridine-aquo]dicopper(II) diperchlorate","","- C14 H24 Cl2 Cu2 N10 O10 -","- C14 H24 Cl2 Cu2 N10 O10 -","- C28 H48 Cl4 Cu4 N20 O20 -","2","0.5","SK1311","Ibrahim Abdul Razak; Hoong-Kun Fun; Kandasamy Chinnakali; S. Shanmuga Sundara Raj; Jia-Cheng Liu; Xiao-Zeng You","Di-μ-azido-bis{[2-(2-aminoethyl)pyridine-<i>N</i>,<i>N</i>']aquacopper(II)} diperchlorate","Acta Crystallographica Section C","1999","55","11","1764","1766","10.1107/S0108270199008987","","","0.71073","MoKα","","0.037","0.03","","","","0.082","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009193","9.877","0.001","4.737","0.001","12.877","0.001","90","","112.044","0.002","90","","558.44","0.14","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","SK1312","Luger, Peter; Weber, Manuela","<small>DL</small>-Cysteine at 298K","Acta Crystallographica Section C","1999","55","11","1882","1885","10.1107/S0108270199009208","","","0.71073","MoKα","","0.074","0.06","","","","0.202","","","","","","1.06","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009194","10.9776","0.0001","14.0734","0.0002","17.3262","0.0002","90","","90","","90","","2676.76","0.05","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","11-carboxylatomethyl-15-carboxymethyl- 11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^octacosa- 4,6,8,17,19,21,25,27-octene bromide","","- C27 H31 Br N2 O6 S -","- C27 H31 Br N2 O6 S -","- C108 H124 Br4 N8 O24 S4 -","4","0.5","SK1313","Yin-Han Zhang; Suchada Chantrapromma; S. Shanmuga Sundara Raj; Hoong-Kun Fun; Yu-Peng Tian; Fu-Xin Xie; Zu-Yao Chen","11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9^.0^17,22^]octacosa-4,6,8,17,19,21,25,27-octaene bromide","Acta Crystallographica Section C","1999","55","11","1839","1841","10.1107/S0108270199009117","","","0.71073","MoKα","","0.075","0.057","","","","0.182","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009195","8.6658","0.0004","8.3101","0.0004","13.1431","0.0005","90","","98.336","0.001","90","","936.48","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene","","- C24 H24 O2 -","- C24 H24 O2 -","- C48 H48 O4 -","2","0.5","SK1314","Jayanta Kumar Ray; Susmita Gupta; S. Shanmuga Sundara Raj; Hoong-Kun Fun","(<i>E</i>)-1,2-Bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene","Acta Crystallographica Section C","1999","55","11","1847","1849","10.1107/S010827019900921X","","","0.71073","MoKα","","0.068","0.048","","","","0.14","","","","","","1.051","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009196","3.7335","0.0007","20.116","0.004","18.033","0.004","90","","91.708","0.005","90","","1353.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridyl 3,4-dihydroxy-3-cyclobutenedione (2/3)","","- C32 H22 N4 O12 -","- C32 H22 N4 O12 -","- C64 H44 N8 O24 -","2","0.5","SK1316","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher","Self-templating of large rings by small rings in 4,4'-bipyridyl‒3,4-dihydroxy-3-cyclobutene-1,2-dione (2/3)","Acta Crystallographica Section C","1999","55","11","1892","1896","10.1107/S010827019900952X","","","0.6891","synchrotron","","0.12","0.058","","","","0.144","","","","","","0.894","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009197","8.3594","0.0003","6.936","0.0004","9.5026","0.0003","90","","109.462","0.002","90","","519.49","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Piperazinium squarate dihydrate","Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","0.5","SK1317","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)","Acta Crystallographica Section C","1999","55","11","1896","1899","10.1107/S0108270199009531","","","0.71073","MoKα","","0.049","0.037","","","","0.098","","","","","","1.088","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009198","8.3393","0.0008","6.936","0.0007","9.5034","0.0009","90","","109.294","0.002","90","","518.82","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Piperazinium squarate dihydrate","Piperazine‒3,4-dihydroxy-3-butenedione‒water (1/1/2)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","0.5","SK1317","MacLean, Elizabeth J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.","A three-dimensional hydrogen-bonded framework in piperazine‒3,4-dihydroxy-3-cyclobutene-1,2-dione‒water (1/1/2)","Acta Crystallographica Section C","1999","55","11","1896","1899","10.1107/S0108270199009531","","","0.6891","synchrotron","","0.049","0.043","","","","0.115","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009199","7.5611","0.0002","8.1393","0.0001","18.9671","0.0004","90","","94.798","0.001","90","","1163.18","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methoxy-2-methylnaphtho[1,2-b]thiophene","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","SK1318","Jayanta Kumar Ray; Dipanjan Pan; S. Shanmuga Sundara Raj; Hoong-Kun Fun","7-Methoxy-2-methylnaphtho[1,2-<i>b</i>]thiophene","Acta Crystallographica Section C","1999","55","11","1849","1850","10.1107/S0108270199009543","","","0.71073","MoKα","","0.057","0.041","","","","0.121","","","","","","1.043","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009200","16.318","0.001","7.362","0.001","8.229","0.001","90","","113.09","0.01","90","","909.38","0.19","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H18 Br4 Ge N2 -","- C14 H18 Br4 Ge N2 -","- C28 H36 Br8 Ge2 N4 -","2","0.25","SK1320","Hensen, Karl; Faber, Alexander; Bolte, Michael","<i>trans</i>-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin","Acta Crystallographica Section C","1999","55","11","1774","1775","10.1107/S0108270199010409","","","0.71073","MoKα","","0.0934","0.0588","","","","0.1593","","","","","","0.998","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009201","9.7615","0.0009","13.0362","0.0012","9.7878","0.0009","90","","90.199","0.002","90","","1245.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Hexamethylenetetramine‒2,2'-biphenol (1/2)","","- C30 H32 N4 O4 -","- C30 H32 N4 O4 -","- C60 H64 N8 O8 -","2","1","SK1324","MacLean, Elizabeth J.; Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Hexamethylenetetramine is a fourfold acceptor of O—H···N hydrogen bonds in its 1:2 adduct with 2,2'-biphenol","Acta Crystallographica Section C","1999","55","11","1867","1870","10.1107/S0108270199010422","","","0.6888","synchrotron","","0.075","0.066","","","","0.144","","","","","","1.101","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009202","14.19","0.003","57.435","0.01","17.4063","0.0018","90","","90","","90","","14186","4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","C-Ile","Cytosinyl-L-isoleucine dipeptide","","- C52 H99 N16 O25.5 -","- C53 H99 N16 O24.5 -","- C424 H792 N128 O196 -","8","1","SX1078","Mitsunobu Doi; Kazuto Tsunemichi; Akiko Asano; Mariko Tarui; Toshimasa Ishida; Masaaki Shiono","<i>N</i>-[3-(Cytosin-1-yl)propionyl]-<small>L</small>-isoleucine, a heavily hydrated structure with four cytosine‒isoleucine hybrids in the asymmetric unit","Acta Crystallographica Section C","1999","55","11","1865","1867","10.1107/S0108270199003650","","","1.5418","CuKα","","0.086","0.076","","","","0.222","","","","","","1.003","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009203","14.024","0.0019","18.884","0.001","19.6861","0.0016","90","","91.056","0.008","90","","5212.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56.34 I0.17 O6.49 P4 Re1.83 -","- C55 H56 I0.17 O6.49 P4 Re1.83 -","- C220 H224 I0.68 O25.96 P16 Re7.32 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.109","0.057","","","","0.171","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009204","13.943","0.005","18.864","0.004","19.671","0.008","90","","91.23","0.03","90","","5173","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56.72 I0.36 O5.92 P4 Re1.64 -","- C55 H56 I0.358 O5.926 P4 Re1.642 -","- C220 H224 I1.432 O23.704 P16 Re6.568 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.11","0.064","","","","0.179","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009205","13.832","0.007","18.746","0.01","19.654","0.007","90","","90.99","0.03","90","","5095","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1,3-bis(diphenylphosphino)propane]dioxorhenium(V) iodide methanol solvate monohydrate","","- C55 H58 I O4 P4 Re -","- C55 H58 I O4 P4 Re -","- C220 H232 I4 O16 P16 Re4 -","4","1","SX1086","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo; Domínguez, Sixto; Mederos, Alfredo","[ReO~2~(dppp)~2~]I~<i>x~</i>[ReO~4~]~1-<i>x~</i>^.^<i>x</i>H~2~O^.^CH~3~OH for <i>x</i> = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]","Acta Crystallographica Section C","1999","55","11","1785","1789","10.1107/S0108270199008628","","","0.71069","MoKα","","0.12","0.077","","","","0.247","","","","","","1.049","","","","has coordinates","211158","2020-10-21","18:00:00",""
"2009206","8.889","0.001","8.107","0.001","28.715","0.001","90","","94.68","0.01","90","","2062.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-bis(ethylenediamine)-bis(pyridyl)nickel(II) nitrate","","- C14 H26 N8 Ni O6 -","- C14 H26 N8 Ni O6 -","- C56 H104 N32 Ni4 O24 -","4","1","SX1089","Baldwin, Michael J.; Krause Bauer, Jeanette A.","<i>cis</i>-Bis(ethylenediamine)bis(pyridine)nickel(II) dinitrate","Acta Crystallographica Section C","1999","55","11","1772","1773","10.1107/S0108270199010458","","","0.71073","MoKα","","0.102","0.055","","","","0.118","","","","","","1.018","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009207","6.484","0.0011","15.208","0.0011","28.047","0.003","90","","90","","90","","2765.7","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[3S-(3a,3aα,5aβ,9aα,9bβ)]-9a-Acetyl-3a,4,5,5a,9a,9b-hexahydro -3,5a-dimethyl-2H-furo[3,2-h][1]benzopyran-2,8(3H)-dione,","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","2","SX1090","Bates, R. B.; Malik, B. L.; Paknikar, S. K.; McClure, K. J.; Carducci, M. D.","An unexpected oxidation product of α-santonin","Acta Crystallographica Section C","1999","55","11","1881","1882","10.1107/S010827019901046X","","","0.71073","MoKα","","0.14","0.048","","","","0.118","","","","","","1.004","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009208","12.5471","0.0002","17.0445","0.0001","16.7432","0.0003","90","","111.06","0.001","90","","3341.51","0.09","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Cl3 Ir N2 O2 P -","- C33 H37 Cl3 Ir N2 O2 P -","- C132 H148 Cl12 Ir4 N8 O8 P4 -","4","1","TA1247","Dinger, Maarten B.; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.","[<i>N</i>-Acetyl-<i>N</i>'-methylureato(2 ‒)-<i>N</i>,<i>N</i>'](η^5^-pentamethylcyclopentadienyl)(triphenylphosphine-<i>P</i>)iridium(III) chloroform solvate","Acta Crystallographica Section C","1999","55","11","1778","1780","10.1107/S0108270199007581","","","0.71073","MoKα","","0.04","0.028","","","","0.066","","","","","","1.067","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009209","12.346","0.003","20.167","0.007","11.269","0.003","97.49","0.02","101.12","0.02","106.44","0.02","2589.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H58 Cu4 N2 O Se6 -","- C45 H58 Cu4 N2 O Se6 -","- C90 H116 Cu8 N4 O2 Se12 -","2","1","TA1255","Jin, Xianglin; Tang, Kaluo; Long, Yaoling; Tang, Youqi","A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me~4~N)~2~[Cu~4~(SePh)~6~]^.^CH~3~OH","Acta Crystallographica Section C","1999","55","11","1799","1800","10.1107/S0108270199009403","","","0.71073","MoKα","","0.149","0.043","","","","0.108","","","","","","0.957","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009210","7.503","0.008","9.702","0.005","10.501","0.003","93.93","0.04","103.99","0.03","107.26","0.07","700.2","0.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","4-Benzoimidazol-2-yl-pyridinium N-oxide dihydrogenphosphate monohydrate","","- C12 H14 N3 O6 P -","- C12 H14 N3 O6 P -","- C24 H28 N6 O12 P2 -","2","1","TA1261","Zhang, Bing-guang; Liu, Yong-Jiang; Gou, Shao-hua; Duan, Chun-Ying; You, Xiao-Zeng","4-(1<i>H</i>,3<i>H</i>^+^-1,3-Benzimidazol-2-ylio)pyridine <i>N</i>-oxide dihydrogenphosphate monohydrate","Acta Crystallographica Section C","1999","55","11","1929","1930","10.1107/S0108270199010185","","","0.71073","MoKα","","0.041","0.033","","0.094","0.089","","","","1.065","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009211","9.272","0.002","11.134","0.008","10.434","0.005","90","","113.86","0.02","90","","985.1","0.9","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","1,3-propane sultone","3-hydroxy-1-propanesulfonic acid γ-sultone","","- C3 H6 O3 S -","- C3 H6 O3 S -","- C24 H48 O24 S8 -","8","4","BK1475","Billodeaux, Damon R.; Owens, Clyde V.; Sayes, Christie M.; Soper, Steven A.; Fronczek, Frank R.","Pseudosymmetry with <i>Z</i>' = 4 in 1,3-propanesultone at 100K","Acta Crystallographica Section C","1999","55","12","2126","2129","10.1107/S0108270199011592","","","0.71073","MoKα","","0.049","0.039","","","","0.11","","","","","","1.042","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009212","13.177","0.002","5.111","0.001","12.972","0.002","90","","116.63","0.01","90","","781","0.2","293","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper(II) hydrogenphthalate dihydrate","","- C16 H14 Cu O10 -","- C16 H14 Cu O10 -","- C32 H28 Cu2 O20 -","2","0.5","BK1480","Rodrigues, Bernardo Lages; Costa, Marcia D. D.; Fernandes, Nelson G.","Diaquabis(hydrogen phthalato)copper(II), a new phase","Acta Crystallographica Section C","1999","55","12","1997","2000","10.1107/S0108270199011610","","","0.71073","MoKα","","0.035","0.029","","","","0.092","","","","","","1.11","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009213","11.793","0.007","7.766","0.002","14.926","0.004","90","","96.65","0.04","90","","1357.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","acetylferrocene thiosemicarbazone","","- C13 H15 Fe N3 S -","- C13 H15 Fe N3 S -","- C52 H60 Fe4 N12 S4 -","4","1","BK1482","Fang, Chen-Jie; Han, Gang; Liu, Yong-Jiang; Duan, Chun-Ying; Meng, Qing-Jin","Acetylferrocene thiosemicarbazone","Acta Crystallographica Section C","1999","55","12","2058","2060","10.1107/S010827019901077X","","","0.71073","MoKα","","0.052","0.044","","0.126","0.114","","","","1.085","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009214","5.894","0.001","8.806","0.001","17.176","0.001","90","","92.92","0.01","90","","890.32","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C40 H52 N4 O4 -","2","0.5","BK1485","Kuppayee, M.; Kumaran, D.; Ponnuswamy, M. N.; Kandaswamy, M.; Jayanthi Violet, M.; Chinnakali, K.; Hoong-Kun Fun","1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine","Acta Crystallographica Section C","1999","55","12","2147","2149","10.1107/S0108270199010781","","","0.71073","MoKα","","0.068","0.044","","0.134","0.12","","","","0.868","0.975","0.975","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009215","15.144","0.003","8.672","0.001","14.23","0.003","90","","124.79","0.01","90","","1534.8","0.5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cl6 N6 Sn -","- C2 H12 Cl6 N6 Sn -","- C8 H48 Cl24 N24 Sn4 -","4","0.5","BK1486","Ishida, Hiroyuki; Furukawa, Yoshihiro; Kashino, Setsuo","Bis(guanidinium) hexachlorostannate(IV)","Acta Crystallographica Section C","1999","55","12","1995","1997","10.1107/S0108270199012032","","","0.71073","MoKα","","0.039","0.032","","0.039","","0.036","","","1.23","","","1.23","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009216","4.4957","0.0003","18.8581","0.0013","20.848","0.0015","90","","91.685","0.001","90","","1766.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[2-(2,5-dimethoxyphenylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea","","- C16 H18 Br N3 O2 S -","- C16 H18 Br N3 O2 S -","- C64 H72 Br4 N12 O8 S4 -","4","1","BK1492","Sudbeck, Elise A.; Jennissen, Jason D.; Venkatachalam, Taracad K.; Uckun, Fatih M.","Inhibitor of HIV-1 reverse transcriptase: <i>N</i>'-(5-bromo-2-pyridyl)-<i>N</i>-[2-(2,5-dimethoxyphenyl)ethyl]thiourea","Acta Crystallographica Section C","1999","55","12","2122","2124","10.1107/S0108270199012044","","","0.71073","MoKα","","0.0915","0.0369","","","","0.0972","","","","","","0.869","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009217","16.161","0.006","9.262","0.002","7.133","0.003","90","","90","","90","","1067.7","0.6","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","copper(I) cyanide/morpholine 3/1","","- C7 H9 Cu3 N4 S -","- C7 H9 Cu3 N4 S -","- C28 H36 Cu12 N16 S4 -","4","0.5","BK1494","Britton, Doyle; Stocker, Fred B.; Staeva, Teodora P.","Copper(I) cyanide‒thiomorpholine (3/1)","Acta Crystallographica Section C","1999","55","12","2014","2016","10.1107/S0108270199011622","","","0.71073","MoKα","","0.0849","0.051","","0.125","","0.111","","","0.985","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009218","12.412","0.002","9.68","0.002","11.191","0.002","90","","90","","90","","1344.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,4-Di(tert-butyl)-3-hexene-2,5-dione","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","0.5","BM1331","Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G.","(<i>E</i>)-3,4-Di-<i>tert</i>-butylhex-3-ene-2,5-dione","Acta Crystallographica Section C","1999","55","12","2078","2080","10.1107/S0108270199012731","","","0.71073","MoKα","","0.063","0.048","","","","0.134","","","","","","1.058","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009219","47.6","0.006","6.6063","0.0008","22.135","0.002","90","","116.371","0.009","90","","6236.2","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-[Dimethyltetrakis(urea-O)tin(IV)]bis[di(methanesulfonyl)amidate] acetonitrile monosolvate","","- C12 H37 N11 O12 S4 Sn -","- C12 H37 N11 O12 S4 Sn -","- C96 H296 N88 O96 S32 Sn8 -","8","1","BM1351","Wirth, Andreas; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXIV. <i>trans</i>-Dimethyltetrakis(urea-<i>O</i>)tin(IV) bis[di(methanesulfonyl)amidate] acetonitrile monosolvate","Acta Crystallographica Section C","1999","55","12","2033","2035","10.1107/S0108270199011634","","","0.71073","MoKα","","0.0476","0.0298","","","","0.0615","","","","","","0.907","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009220","9.311","0.005","12.877","0.007","19.806","0.01","90","","94.74","0.04","90","","2367","2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Spiro(4,8-dibenzyl-1,3-dioxaazulenium-2,1'-2',4',6'-trinitrohexadienide)","","- C27 H19 N3 O8 -","- C27 H19 N3 O8 -","- C108 H76 N12 O32 -","4","1","BM1362","Borbulevych, Oleg Ya.; Antipin, Michail Yu.; Olekhnovich, Lev P.","4,8-Dibenzyl-2',4',6'-trinitrospiro[1,3-dioxaazulenium-2,1'-cyclohexadienide]","Acta Crystallographica Section C","1999","55","12","2177","2179","10.1107/S010827019901241X","","","0.71073","MoKα","","0.1537","0.0719","","0.1659","","0.1211","","","0.998","","","1.225","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009221","6.345","0.0015","10.242","0.003","21.554","0.006","90","","93.05","0.02","90","","1398.7","0.7","178","2","178","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-bis(methanesulfonyl)-1-adamantylamine","","- C12 H21 N O4 S2 -","- C12 H21 N O4 S2 -","- C48 H84 N4 O16 S8 -","4","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0364","0.0317","","","","0.0872","","","","","","1.041","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009222","13.08","0.003","11.978","0.003","27.915","0.004","90","","90","","90","","4373.5","1.6","178","2","178","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N-bis(p-toluenesulfonyl)-1-adamantylamine","","- C24 H29 N O4 S2 -","- C24 H29 N O4 S2 -","- C192 H232 N8 O32 S16 -","8","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0963","0.044","","","","0.1289","","","","","","0.944","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009223","7.2362","0.0018","7.2831","0.0015","29.526","0.006","90","","90","","90","","1556.1","0.6","178","2","178","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1-adamantyl)-1,1,3,3-tetraoxo-1,3,2-benzodithiazole","","- C16 H19 N O4 S2 -","- C16 H19 N O4 S2 -","- C64 H76 N4 O16 S8 -","4","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0378","0.0326","","","","0.0869","","","","","","1.032","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009224","8.057","0.0014","11.564","0.002","14.445","0.002","90","","95.225","0.004","90","","1340.3","0.4","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(2-formylphenyl)ethyl]-2-fluoro-4-nitroaniline","","- C15 H13 F N2 O3 -","- C15 H13 F N2 O3 -","- C60 H52 F4 N8 O12 -","4","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.046","0.037","","","","0.102","","","","","","1.041","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009225","13.534","0.003","7.0535","0.0014","29.526","0.008","90","","90","","90","","2818.6","1.1","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluoro-4-nitro)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 F N2 O3 -","- C16 H15 F N2 O3 -","- C128 H120 F8 N16 O24 -","8","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.098","0.057","","","","0.211","","","","","","1.115","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009226","8.3093","0.0004","8.3093","0.0004","8.3093","0.0004","90","","90","","90","","573.71","0.05","302","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr16 Ni8 O32 -","8","0.0416667","BR1244","Ueno, Go; Sato, Shoichi; Kino, Yoshihiro","The low-temperature tetragonal phase of NiCr~2~O~4~","Acta Crystallographica Section C","1999","55","12","1963","1966","10.1107/S0108270199011713","","","0.7107","MoKα","","","0.022","","","","0.058","","","","","","1.894","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009227","5.8102","0.0008","5.8102","0.0008","8.4806","0.0009","90","","90","","90","","286.29","0.06","200.2","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Ni O4 -","- Cr2 Ni O4 -","- Cr8 Ni4 O16 -","4","0.125","BR1244","Ueno, Go; Sato, Shoichi; Kino, Yoshihiro","The low-temperature tetragonal phase of NiCr~2~O~4~","Acta Crystallographica Section C","1999","55","12","1963","1966","10.1107/S0108270199011713","","","0.7107","MoKα","","","0.0226","","","","0.0412","","","","","","1.862","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009228","5.772","0.001","5.772","0.001","26.538","0.001","90","","90","","120","","765.69","0.19","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","calcium oxide‒dialuminium trioxide‒calcium diiodate hydrate (3/1/1/10)","","- Al Ca2 H10 I O8 -","- Al Ca2 H10.002 I6 O8 -","- Al3 Ca6 H30.006 I18 O24 -","3","0.166667","BR1245","Jean-Philippe Rapin; Alain Walcarius; Grégory Lefevre; Michel François","A double-layered hydroxide, 3CaO.Al~2~O~3~.CaI~2~.10H~2~O","Acta Crystallographica Section C","1999","55","12","1957","1959","10.1107/S0108270199008665","","","1.54058","CuKα","","0.04","0.039","","","","0.112","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009229","9.288","0.0006","7.418","0.0007","9.383","0.0004","90","","90","","90","","646.47","0.08","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Trierbium digallide trigermanide","Trierbium digallide trigermanide","","- Er3 Ga2.21 Ge2.79 -","- Er3 Ga2.213 Ge2.787 -","- Er12 Ga8.852 Ge11.148 -","4","0.25","BR1251","Richard Welter; Gerard Venturini","Trierbium digallide trigermanide","Acta Crystallographica Section C","1999","55","12","1969","1970","10.1107/S0108270199010501","","","0.5609","AgKα","","0.026","0.02","","","","0.054","","","","","","0.704","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009230","6.722","0.002","11.088","0.002","13.475","0.004","90","","90","","90","","1004.3","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3 Ba3 O Ta -","- As3 Ba3 O Ta -","- As12 Ba12 O4 Ta4 -","4","0.5","BR1254","Derrien, Gaëlle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Ba~3~TaAs~3~O displaying the distorted tetrahedral TaAs~3~O^6-^ anion","Acta Crystallographica Section C","1999","55","12","1976","1978","10.1107/S0108270199010057","","","0.71069","MoKα","","0.118","0.049","","","","0.13","","","","","","0.952","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009231","5.6969","0.0006","5.6969","0.0006","23.523","0.003","90","","90","","120","","661.15","0.13","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","sodium calcium tantalate","disodiumtricalciumditantalumnonaoxide","","- Ca3 Na2 O9 Ta2 -","- Ca3 Na2 O9 Ta2 -","- Ca9 Na6 O27 Ta6 -","3","0.166667","BR1255","Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko","Na~2~Ca~3~Ta~2~O~9~ with a simple stacking of oxygen triangular nets","Acta Crystallographica Section C","1999","55","12","1978","1980","10.1107/S0108270199010513","","","0.71073","MoKα","","0.022","0.021","","","","0.057","","","","","","1.187","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009232","8.0432","0.0003","8.0805","0.0003","8.8836","0.0003","65.119","0.001","67.516","0.001","68.326","0.001","468.77","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- H2 O10 Se3 Zn3 -","- O10 Se3 Zn3 -","- O20 Se6 Zn6 -","2","1","BR1257","Harrison, William T. A.","An extreme case of ZnO~6~ octahedral distortion in trizinc tris(selenite) hydrate, Zn~3~(SeO~3~)~3~","Acta Crystallographica Section C","1999","55","12","1980","1983","10.1107/S0108270199011099","","","0.71073","MoKα","","0.0434","0.0299","","","","0.0593","","","","","","0.978","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009233","7.237","0.001","7.237","0.001","4.208","0.001","90","","90","","90","","220.39","0.07","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","Potassium chloro-bromopalladate","Potassium chloro-bromopalladate(II)A","","- Br2.24 Cl1.76 K2 Pd -","- Br2.24 Cl1.76 K2 Pd -","- Br2.24 Cl1.76 K2 Pd -","1","0.0625","BR1258","Omrani, Hedi; Welter, Richard; Vangelisti, Rene","The solid solution of composition K~2~PdBr~2.24~Cl~1.76~","Acta Crystallographica Section C","1999","55","12","1970","1972","10.1107/S0108270199011725","","","0.56087","AgKα","","0.036","0.03","","","","0.076","","","","","","1.189","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009234","14.593","0.0003","10.801","0.0002","7.309","0.0002","90","","108.35","0.02","90","","1093.46","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dioxoniobium disodium arsenate","","- As Na2 Nb O6 -","- As Na2 Nb O6 -","- As8 Na16 Nb8 O48 -","8","1","BR1262","Hizaoui, Khaled; Jouini, Noureddine; Driss, Ahmed; Jouini, Tahar","Na~2~NbO~2~AsO~4~, a new niobium monoarsenate","Acta Crystallographica Section C","1999","55","12","1972","1974","10.1107/S0108270199012421","","","0.71069","MoKα","","0.023","0.021","","0.059","","0.057","","","1.177","","","1.192","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009235","11.4944","0.0017","14.1547","0.0018","16.292","0.002","108.284","0.009","92.329","0.013","110.712","0.011","2319.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H41 B N9 O4 Tb -","- C54 H41 B N9 O4 Tb -","- C108 H82 B2 N18 O8 Tb2 -","2","1","CF1328","Ward, Michael D.; McCleverty, Jon A.; Mann, Karen L. V.; Jeffery, John C.; Motson, Graham R.; Hurst, Joanne","Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py^) and anionic <i>O</i>,<i>O</i>-bidentate chelates: [Tb(Tp^py^)(dbm)~2~] and [Eu(Tp^py^)(trop)(NO~3~)] (Hdbm is dibenzoylmethane and Htrop is tropolone)","Acta Crystallographica Section C","1999","55","12","2055","2058","10.1107/S0108270199011051","","","0.71073","MoKα","","0.0876","0.0477","","","","0.0826","","","","","","0.97","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009236","10.2193","0.0019","10.9574","0.0012","15.994","0.003","85.895","0.009","72.163","0.01","78.536","0.008","1670.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 B Cl2 Eu N10 O5 -","- C32 H26 B Cl2 Eu N10 O5 -","- C64 H52 B2 Cl4 Eu2 N20 O10 -","2","1","CF1328","Ward, Michael D.; McCleverty, Jon A.; Mann, Karen L. V.; Jeffery, John C.; Motson, Graham R.; Hurst, Joanne","Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py^) and anionic <i>O</i>,<i>O</i>-bidentate chelates: [Tb(Tp^py^)(dbm)~2~] and [Eu(Tp^py^)(trop)(NO~3~)] (Hdbm is dibenzoylmethane and Htrop is tropolone)","Acta Crystallographica Section C","1999","55","12","2055","2058","10.1107/S0108270199011051","","","0.71073","MoKα","","0.0388","0.0279","","","","0.0581","","","","","","0.976","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009237","12.8648","0.0007","17.1212","0.001","18.7567","0.0011","101.627","0.001","91.701","0.001","111.515","0.001","3740.2","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","[trans-dioxo-bis(en)osmium(VI)] [trans-dioxo-bis(en)osmium(VI) -disulfatoferrate(II)","","- C16 H100 Fe4 N16 O58 Os4 S8 -","- C16 H64 Fe4 N16 O58 Os4 S8 -","- C32 H128 Fe8 N32 O116 Os8 S16 -","2","1","DA1073","Murmann, R. Kent; Barnes, Charles L.","[<i>trans</i>-Bis(en)dioxoosmium(VI)] <i>trans</i>-bis(en)dioxoosmium(VI)[aqua-η^1^-sulfato-η^2^-sulfatoiron(II)][diaquabis(η^1^-sulfato)iron(II)] hexahydrate","Acta Crystallographica Section C","1999","55","12","2004","2007","10.1107/S0108270199010070","","","0.7093","MoKα","","0.046","0.048","","0.056","","0.059","","","","","","1.19","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009238","4.993","0.001","8.418","0.002","7.858","0.002","90","","96.41","0.03","90","","328.22","0.13","294","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ammonium trivanadate(V)","","- H4 N O8 V3 -","- H4 N O8 V3 -","- H8 N2 O16 V6 -","2","0.5","DA1075","Bi-Zhou Lin; Shi-Xiong Liu","Ammonium trivanadate(V), NH~4~V~3~O~8~","Acta Crystallographica Section C","1999","55","12","1961","1963","10.1107/S0108270199007702","","","0.71069","MoKα","","0.043","0.036","","0.115","","0.102","","","1.151","","","1.173","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009239","21.85","0.002","11.7687","0.0007","13.3256","0.0008","90","","100.544","0.002","90","","3368.8","0.4","298.2","","298.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cd N10 O10 -","- C32 H28 Cd N10 O10 -","- C128 H112 Cd4 N40 O40 -","4","0.5","DA1076","Huang, Songping D.; Lewandowski, Brad J.; Liu, Chibiao (Charles); Shan, Yongkui","[Cd(4,4'-bipy)~2~(NO~3~)~2~](2-nitroaniline)~2~, a novel two-dimensional lattice inclusion compound","Acta Crystallographica Section C","1999","55","12","2016","2018","10.1107/S0108270199011130","","","0.7107","MoKα","","0.055","0.051","","0.089","","0.083","","","1.06","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009240","16.482","0.005","14.258","0.005","9.838","0.004","90","","90","","90","","2311.9","1.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-tert-butoxycarbonyl-7,9-dibenzyl-2-oxo-1,7,9-triazaspiro[4,5]dec-3-ene","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","0.5","DA1077","Dong, Yongkwan; Yun, Hoseop; Suh, Jang-Min; Ahn, Young-Gil; Ha, Hyun-Joon","Mirror symmetry in 7,9-dibenzyl-1-<i>tert</i>-butoxycarbonyl-1,7,9-triazaspiro[4.5]dec-3-en-2-one","Acta Crystallographica Section C","1999","55","12","2088","2090","10.1107/S0108270199011373","","","0.71073","MoKα","","0.1169","0.0575","","","","0.1163","","","","","","1.009","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009241","11.093","0.002","21.665","0.004","16.823","0.005","90","","104.404","0.018","90","","3916","1.6","294","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trichloro(phenylimido)(1,1'-bis(diphenylphosphino)ferrocene)rhenium(V)","","- C41 H35 Cl5 Fe N P2 Re -","- C41 H35 Cl5 Fe N P2 Re -","- C164 H140 Cl20 Fe4 N4 P8 Re4 -","4","1","DA1088","Lee, Soon W.; Choi, Nam-Sun","[1,1'-Bis(diphenylphosphino)ferrocene]trichloro(phenylimido)rhenium(V) dichloromethane solvate","Acta Crystallographica Section C","1999","55","12","2018","2020","10.1107/S0108270199011385","","","0.71073","MoKα","","","0.0375","","","","0.0771","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009242","5.2955","0.0004","10.0638","0.0007","11.2503","0.0008","103.951","0.002","102.516","0.001","105.121","0.002","536.13","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-β-methyl-N-(3-chlorophenyl)propenamide","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C22 H18 Cl2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0683","0.0508","","","","0.1357","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009243","4.7724","0.0001","24.1536","0.0001","9.1565","0.0002","90","","95.937","0.001","90","","1049.81","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-β-methyl-N-(5-flurophenyl)propenamide","","- C11 H9 F N2 O2 -","- C11 H9 F N2 O2 -","- C44 H36 F4 N8 O8 -","4","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0656","0.0528","","","","0.1698","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009244","4.9906","0.0002","9.3735","0.0003","11.8869","0.0001","77.394","0.002","86.404","0.002","88.065","0.002","541.47","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-N-(4-bromophenyl)but-2-enamide","","- C11 H9 Br N2 O2 -","- C11 H9 Br N2 O2 -","- C22 H18 Br2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0789","0.0635","","","","0.1655","","","","","","1.043","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009245","8.9641","0.0008","14.1215","0.0012","8.327","0.0007","90","","101.023","0.002","90","","1034.64","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-cyano-β-hydroxy-N-(2-flurophenyl)but-2-enamide","","- C11 H9 F N2 O2 -","- C11 H9 F N2 O2 -","- C44 H36 F4 N8 O8 -","4","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0792","0.0555","","","","0.1468","","","","","","1.202","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009246","5.2782","0.0002","10.2335","0.0004","11.5754","0.0004","69.792","0.001","78.592","0.001","75.837","0.001","564.49","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","α-cyano-β-hydroxy-β-methyl-N-(3-bromophenyl)propenamide","","- C11 H9 Br N2 O2 -","- C11 H9 Br N2 O2 -","- C22 H18 Br2 N4 O4 -","2","1","DA1089","Ghosh, Sutapa; Zheng, Yaguo; Uckun, Fatih M.","Five analogs of the active metabolite of leflunomide","Acta Crystallographica Section C","1999","55","12","2117","2122","10.1107/S0108270199011142","","","0.71073","MoKα","","0.0683","0.056","","","","0.1545","","","","","","0.988","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009247","8.425","0.003","9.427","0.002","8.087","0.002","103.64","0.02","109","0.02","108.39","0.02","533.7","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N4 S -","- C8 H14 N4 S -","- C16 H28 N8 S2 -","2","1","DA1094","McCarrick, Robert M.; Squattrito, Philip J.; Singh, Rajkumar Noren; Handa, Ram N.; Dubey, Surendra N.","Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","12","2111","2114","10.1107/S0108270199011397","","","0.7107","MoKα","","","0.052","","","","0.037","","","","","","2.27","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009248","9.539","0.002","14.177","0.002","5.275","0.002","99.64","0.02","95.69","0.03","90.03","0.01","699.7","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O S -","- C13 H16 N4 O S -","- C26 H32 N8 O2 S2 -","2","1","DA1094","McCarrick, Robert M.; Squattrito, Philip J.; Singh, Rajkumar Noren; Handa, Ram N.; Dubey, Surendra N.","Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione","Acta Crystallographica Section C","1999","55","12","2111","2114","10.1107/S0108270199011397","","","0.7107","MoKα","","","0.063","","","","0.088","","","","","","2.23","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009249","13.513","0.002","6.288","0.0009","32.903","0.003","90","","98.22","0.03","90","","2767","0.7","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","D-Friedoolean-14-en-3β-ol acetate","","- C32 H52 O2 -","- C32 H52 O2 -","- C128 H208 O8 -","4","1","DA1098","Billodeaux, Damon R.; Benavides, Gloria A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Taraxerol acetate at 100K","Acta Crystallographica Section C","1999","55","12","2129","2131","10.1107/S0108270199011403","","","0.71073","MoKα","","0.141","0.063","","","","0.249","","","","","","0.813","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009250","8.533","0.008","10.643","0.008","12.287","0.012","110.23","0.07","92.65","0.07","103.34","0.07","1009","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trichloro((p-aminophenyl)imido)(N-pchloro-pyridine-2-aldimine)rhenium(V).","","- C18 H15 Cl4 N4 Re -","- C18 H15 Cl4 N4 Re -","- C36 H30 Cl8 N8 Re2 -","2","1","DE1115","Banerjee, Sangeeta; Bhattacharyya, Sibaprasad; Chakraborty, Indranil; Dirghangi, Bimal Kumar","A rhenium(V)‒arylimide species incorporating pyridine-2-aldimine chelation","Acta Crystallographica Section C","1999","55","12","2000","2002","10.1107/S0108270199010732","","","0.71073","MoKα","","0.03","0.026","","0.067","","0.061","","","1.077","","","1.086","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009251","6.952","0.002","8.909","0.003","6.531","0.002","94.76","0.03","111.03","0.02","73.74","0.02","362.4","0.2","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","trans-dinitro bis(N-ethyl ethane-1,2-diamine)nickel(II)","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","1","0.5","DE1116","Inamur Rahaman Laskar; Golam Mostafa; Debasis Das; Ken-ichi Okamoto; N. Ray Chaudhuri","<i>trans</i>-Bis(<i>N</i>-ethylethane-1,2-diamine)dinitronickel(II)","Acta Crystallographica Section C","1999","55","12","1994","1995","10.1107/S0108270199011063","","","0.7107","MoKα","","","0.029","","","","0.0393","","","","","","1.122","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009252","7.7234","0.0009","21.356","0.003","16.252","0.005","90","","92.882","0.015","90","","2677.2","1","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5(4H)-thione","","- C14 H12 N4 S -","- C14 H12 N4 S -","- C112 H96 N32 S8 -","8","2","FG1553","Lakshmanan Govindasamy; Devadasan Velmurugan; Annamalai Senthilvelan; Il-Hawn Suh","4-(4-Methylphenyl)-3-(4-pyridyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","12","2098","2100","10.1107/S0108270199010094","","","0.71069","MoKα","","0.078","0.046","","","","0.118","","","","","","1.018","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009253","12.1605","0.0006","12.414","0.0006","25.061","0.001","83.771","0.001","82.672","0.001","62.875","0.001","3334.2","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","bis[(μ~3~-oxo)-μ~2~-(2-formylbenzoato-O,O')-(2-formylbenzoato-O)-bis(dibutyl- tin(IV)]","","- C64 H92 O14 Sn4 -","- C64 H92 O14 Sn4 -","- C128 H184 O28 Sn8 -","2","1","FG1568","Khoo, Lian Ee; Hazell, Alan","3-Hydroxyphthalide and its adduct with dibutyltin oxide","Acta Crystallographica Section C","1999","55","12","2070","2073","10.1107/S0108270199009282","","","0.71073","MoKα","","","0.037","","","","0.037","","","","","","1.243","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009254","3.9463","0.0006","11.423","0.002","7.327","0.0011","90","","97.02","0.003","90","","327.81","0.09","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","3-hydroxyphthalide","","- C8 H6 O3 -","- C8 H6 O3 -","- C16 H12 O6 -","2","1","FG1568","Khoo, Lian Ee; Hazell, Alan","3-Hydroxyphthalide and its adduct with dibutyltin oxide","Acta Crystallographica Section C","1999","55","12","2070","2073","10.1107/S0108270199009282","","","0.71073","MoKα","","","0.028","","","","0.037","","","","","","1.7","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2009255","9.1149","0.0006","7.5153","0.0004","18.1463","0.0008","90","","92.03","0.01","90","","1242.26","0.12","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole","","- C13 H16 N4 -","- C13 H16 N4 -","- C52 H64 N16 -","4","1","FR1200","Moreno-Fuquen, Rodolfo; Quiroga, Jairo; Insuasty, Braulio","5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole","Acta Crystallographica Section C","1999","55","12","2096","2098","10.1107/S0108270199010793","","","0.71073","MoKα","","0.069","0.047","","0.157","0.129","","","","1.097","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009256","6.4731","0.0001","11.4104","0.0001","20.4092","0.0003","90","","90","","90","","1507.44","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-trimethylsilyl-3,6-dimethyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","","- C10 H30 B2 N2 Si -","- C10 H30 B2 N2 Si -","- C40 H120 B8 N8 Si4 -","4","1","FR1209","Zheng, Chong; Hosmane, Narayan S.","3,3,6,6-Tetramethyl-1-trimethylsilyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","Acta Crystallographica Section C","1999","55","12","2107","2109","10.1107/S0108270199011294","","","0.71073","MoKα","","0.046","0.043","","","","0.115","","","","","","1.243","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009257","10.364","0.001","12.657","0.001","26.59","0.002","90","","98.58","0.01","90","","3449","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ‒dimethylacetylenedicarboxylate)manganese cobalt heptacarbonyl","","- C13 H6 Co Mn O11 -","- C13 H6 Co Mn O11 -","- C104 H48 Co8 Mn8 O88 -","8","1","FR1210","Beck, Karsten; Krause Bauer, Jeanette A.; Alexander, John J.","Carbonyl-μ-dimethylacetylene dicarboxylate and carbonyl-μ-methyltetraolate manganesecobalt complexes","Acta Crystallographica Section C","1999","55","12","2020","2023","10.1107/S0108270199009828","","","0.71073","MoKα","","0.063","0.038","","","","0.088","","","","","","1.094","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009258","8.026","0.0001","8.1299","0.0001","12.6612","0.0001","87.343","0.001","71.85","0.003","79.125","0.001","770.88","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","(μ‒methyltetrolate)manganese cobalt heptacarbonyl","","- C12 H6 Co Mn O9 -","- C12 H6 Co Mn O9 -","- C24 H12 Co2 Mn2 O18 -","2","1","FR1210","Beck, Karsten; Krause Bauer, Jeanette A.; Alexander, John J.","Carbonyl-μ-dimethylacetylene dicarboxylate and carbonyl-μ-methyltetraolate manganesecobalt complexes","Acta Crystallographica Section C","1999","55","12","2020","2023","10.1107/S0108270199009828","","","0.71073","MoKα","","0.042","0.029","","","","0.073","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009259","9.3376","0.0004","10.1794","0.0004","10.9289","0.0005","95.498","0.001","103.262","0.001","90.284","0.001","1006.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-benzyl-N-(2-iodo-4-methylphenyl)cinnamamide","","- C23 H20 I N O -","- C23 H20 I N O -","- C46 H40 I2 N2 O2 -","2","1","FR1216","Shanmuga Sundara Raj, S.; Renganayaki, S.; Subramanian, E.; Fun, Hoong-Kun","<i>N</i>-Benzyl-<i>N</i>-(2-iodo-4-methylphenyl)cinnamamide and <i>N</i>-benzyl-<i>N</i>-(<i>p</i>-tolyl)cinnamamide","Acta Crystallographica Section C","1999","55","12","2182","2184","10.1107/S0108270199011749","","","0.71073","MoKα","","0.06","0.043","","","","0.119","","","","","","1.037","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009260","15.1665","0.0016","6.2451","0.0006","19.946","0.002","90","","99.65","0.002","90","","1862.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-benzyl-N-(p-tolyl)cinnamamide","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","FR1216","Shanmuga Sundara Raj, S.; Renganayaki, S.; Subramanian, E.; Fun, Hoong-Kun","<i>N</i>-Benzyl-<i>N</i>-(2-iodo-4-methylphenyl)cinnamamide and <i>N</i>-benzyl-<i>N</i>-(<i>p</i>-tolyl)cinnamamide","Acta Crystallographica Section C","1999","55","12","2182","2184","10.1107/S0108270199011749","","","0.71073","MoKα","","0.146","0.068","","","","0.157","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009261","13.035","0.001","11.6","0.001","8.668","0.001","90","","81.23","0.009","90","","1295.3","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether)","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","FR1220","Gerkin, Roger E.","Network of C—H···O interactions in 4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether)","Acta Crystallographica Section C","1999","55","12","2140","2142","10.1107/S0108270199009051","","","0.71073","MoKα","","","0.05","","","","0.068","","","","","","1.61","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009262","5.71","0.0008","7.8019","0.0015","7.9527","0.0007","75.319","0.012","79.168","0.009","77.967","0.016","331.75","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(ethylenediamine-N,N')bis(perchlorato-O)copper(II)","","- C4 H16 Cl2 Cu N4 O8 -","- C4 H16 Cl2 Cu N4 O8 -","- C4 H16 Cl2 Cu N4 O8 -","1","0.5","FR1222","Maxcy, Karen R.; Turnbull, Mark M.","A redetermination of bis(ethylenediamine-<i>N</i>,<i>N</i>')bis(perchlorato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1999","55","12","1986","1988","10.1107/S010827019901152X","","","0.71073","MoKα","","0.042","0.041","","","","0.146","","","","","","1.179","","","","has coordinates","255511","2020-10-21","18:00:00",""
"2009263","23.433","0.005","7.018","0.004","9.554","0.004","90","","90","","90","","1571.2","1.2","293","2","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H16 Br2 -","- C18 H16 Br2 -","- C72 H64 Br8 -","4","0.5","FR1224","Luck, Rudy L.; Mendenhall, G. David","2-<i>tert</i>-Butyl-9,10-dibromoanthracene","Acta Crystallographica Section C","1999","55","12","2090","2091","10.1107/S0108270199011968","","","0.71069","MoKα","","","0.04","","","","0.112","","","","","","1.028","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009264","7.811","0.001","11.1324","0.0008","11.831","0.001","87.508","0.007","71.538","0.008","87.198","0.009","974.23","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","di[quinolinium-4-carboxylic acid] sulfate monohydrate","bis(4-carboxyquinolinium) sulfate monohydrate","","- C20 H18 N2 O9 S -","- C20 H18 N2 O9 S -","- C40 H36 N4 O18 S2 -","2","1","FR1225","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in bis(4-carboxyquinolinium) sulfate monohydrate","Acta Crystallographica Section C","1999","55","12","2142","2145","10.1107/S0108270199010586","","","0.71073","MoKα","","","0.056","","","","0.098","","","","","","1.61","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009265","10.996","0.003","11.423","0.003","13.501","0.003","102.36","0.02","111.79","0.02","100.28","0.02","1474.7","0.7","115","2","115","2","","","","","","","","5","P -1","-P 1","2","naphthyl 18-crown-6 t-butyl ammonium perchlorate complex","tert-butylammonium perchlorate‒2,5,8,11,14,17-hexaoxatricyclo[16.8.0.0^20,25^]hexacosa- 1(26),18,20(25),21,23-pentaene‒ethyl acetate‒dichloromethane (4/4/1/1)","","- C25.25 H40.5 Cl1.5 N O10.5 -","- C25.25 H40.5 Cl1.5 N O10.5 -","- C50.5 H81 Cl3 N2 O21 -","2","1","FR1227","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Weiss, Robert M.","The <i>tert</i>-butylammonium perchlorate complex of 2,3-naphtho-18-crown-6 at 115K","Acta Crystallographica Section C","1999","55","12","2091","2093","10.1107/S010827019901080X","","","0.7107","MoKα","","0.088","0.074","","0.249","","0.249","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2009266","6.718","0.01","13.595","0.01","15.637","0.01","114.015","0.01","95.196","0.01","94.984","0.01","1287","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis-ethylenediaminedinitrocobalt(III) perchlor","","","- C4 H16 Cl Co N6 O8 -","- C4 H16 Cl Co N6 O8 -","- C16 H64 Cl4 Co4 N24 O32 -","4","2","FR1228","Maxcy, Karen R.; Turnbull, Mark M.","<i>trans</i>-Bis(ethylenediamine)dinitrocobalt(III) perchlorate","Acta Crystallographica Section C","1999","55","12","1984","1986","10.1107/S010827019901197X","","","0.71073","MoKα","","0.0847","0.063","","","","0.2043","","","","","","1.207","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009267","6.9473","0.0006","7.4535","0.0006","25.0846","0.0017","90","","96.998","0.006","90","","1289.25","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidin-2-yl)glicinato hexaaaquo zinc(II)","","- C14 H32 N10 O16 Zn -","- C14 H32 N10 O16 Zn -","- C28 H64 N20 O32 Zn2 -","2","0.5","GD1042","Arranz-Mascarós, Paloma; Godino, M. Luz; López, Rafael; Cuesta, Rafael; Valenzuela-Calahorro, Cristóbal; Martín-Ramos, Daniel","Hexaaquazinc(II) bis[<i>N</i>-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidin-2-yl)glycinate] dihydrate","Acta Crystallographica Section C","1999","55","12","2049","2051","10.1107/S0108270199009518","","","0.71073","MoKα","","0.058","0.034","","","","0.087","","","","","","0.985","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009268","11.611","0.002","12.14","0.007","13.584","0.004","110.13","0.04","97.62","0.02","94.56","0.04","1765.7","1.3","299","3","299","3","","","","","","","","5","P -1","-P 1","2","","Bis[μ-(hydrogen benzene-1,2-dicarboxylato)-O:O']- bis[bis(1,10-phenanthroline-N,N')cobalt(II)] bis(hydrogen benzene-1,2-dicarboxylate) dihydrate","","- C80 H56 Co2 N8 O18 -","- C80 H56 Co2 N8 O18 -","- C80 H56 Co2 N8 O18 -","1","0.5","GD1046","Poleti, Dejan; Karanović, Ljiljana; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Bis[μ-(hydrogen benzene-1,2-dicarboxylato)-<i>O</i>:<i>O</i>']bis[bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')cobalt(II)] bis(hydrogen benzene-1,2-dicarboxylate) dihydrate","Acta Crystallographica Section C","1999","55","12","2061","2063","10.1107/S0108270199010720","","","0.7107","MoKα","","0.109","0.05","","","","0.126","","","","","","0.985","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009269","8.542","0.0005","11.8734","0.0007","15.0938","0.0005","90","","90","","90","","1530.85","0.14","291","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Mo O2 -","- C17 H16 Mo O2 -","- C68 H64 Mo4 O8 -","4","1","GD1047","Alexander Kuhl; Farrugia, Louis J.; Philip J. Kocieński","Absolute configuration of <i>exo</i>-<i>syn</i>-<i>syn</i>-dicarbonyl(η^5^-cyclopentadienyl)[(1,2,3-η)-(1<i>R</i>,2<i>S</i>,3<i>S</i>)-1-phenylbut-2-en-1-yl]molybdenum(II)","Acta Crystallographica Section C","1999","55","12","2041","2043","10.1107/S0108270199010197","","","0.71073","MoKα","","","0.026","","","","0.07","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009270","5.021","0.0002","11.3959","0.0006","11.9972","0.0006","90","","97.323","0.005","90","","680.87","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridinium diperchlorate","","- C10 H10 Cl2 N2 O8 -","- C10 H10 Cl2 N2 O8 -","- C20 H20 Cl4 N4 O16 -","2","0.5","GD1048","Ng, Seik Weng","4,4'-Bipyridinium diperchlorate","Acta Crystallographica Section C","1999","55","12","2105","2107","10.1107/S0108270199012196","","","0.71073","MoKα","","0.0638","0.0512","","","","0.1363","","","","","","1.055","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009271","9.8336","0.0001","16.711","0.0003","9.8352","0.0001","90","","104.223","0.001","90","","1566.67","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium trifluoroacetate","","- C14 H24 F3 N O2 -","- C14 H24 F3 N O2 -","- C56 H96 F12 N4 O8 -","4","1","GD1050","Ng, Seik Weng; Hoong-Kun Fun; S. Shanmuga Sundara Raj","Dicyclohexylammonium trifluoroacetate","Acta Crystallographica Section C","1999","55","12","2145","2147","10.1107/S0108270199010999","","","0.71073","MoKα","","0.0621","0.0473","","","","0.1516","","","","","","1.064","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009272","11.3483","0.0015","8.9413","0.001","14.705","0.003","90","","104.586","0.013","90","","1444","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2R/2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-hydroxyphenyl)propanoic acid","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","GD1055","Gallagher, John F.; Murphy, Carol","C—H···π~arene~, C<i>sp</i>^3^—H···O=C and O—H···O intermolecular interactions in (2<i>R</i>/2<i>S</i>)-3-(3-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2<i>H</i>-isoindol-2-yl)propanoic acid: a <i>meta</i>-tyrosine derivative","Acta Crystallographica Section C","1999","55","12","2167","2169","10.1107/S0108270199010884","","","0.7107","MolybdenumKα","","0.1071","0.0406","","","","0.0847","","","","","","0.941","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009273","8.3898","0.001","8.7094","0.0009","13.8304","0.0017","89.695","0.009","79.108","0.006","62.568","0.009","876.92","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(1-methylimidazole)octacyanotetracadmium(II)","","- C24 H24 Cd4 N16 -","- C24 H24 Cd4 N16 -","- C24 H24 Cd4 N16 -","1","0.5","GD1056","Yun, Sock-Sung; Kim, Young-Pill; Kim, Chong-Hyeak","A three-dimensional framework formed from cadmium(II) cyanide and 1-methylimidazole","Acta Crystallographica Section C","1999","55","12","2026","2028","10.1107/S0108270199011336","","","0.71073","MoKα","","0.028","0.027","","","","0.077","","","","","","1.174","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009274","13.788","0.002","7.3827","0.0012","14.0672","0.0017","90","","105.66","0.02","90","","1378.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pt-salen","N,N'-Ethylene-bis-salicylaldimine-Platin(II)","","- C16 H14 N2 O2 Pt -","- C16 H14 N2 O2 Pt -","- C64 H56 N8 O8 Pt4 -","4","1","GS1038","Sawodny, Wolfgang; Thewalt, Ulf; Potthoff, Edith; Ohl, Reinhard","[<i>N</i>,<i>N</i>'-Bis(salicylidene)ethylenediaminato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']platinum(II)","Acta Crystallographica Section C","1999","55","12","2060","2061","10.1107/S0108270199010690","","","0.71069","MoKα","","0.0324","0.0272","","","","0.0684","","","","","","1.051","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009275","10.734","0.004","10.734","0.004","35.245","0.006","90","","90","","120","","3517","1","293","","293","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C20 H29 Cl N2 O2 Pd -","- C20 H29 Cl N2 O2 Pd -","- C120 H174 Cl6 N12 O12 Pd6 -","6","1","","Bouquillon, Sandrine; du Moulinet d'Hardemare, Amaury; Averbuch-Pouchot, Marie-Thérèse; Hénin, Françoise; Muzart, Jacques; Durif, André","A coordination compound of (-)-ephedrine and palladium(II)","Acta Crystallographica Section C","1999","55","","2028","2030","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009276","12.949","0.004","13.031","0.008","13.97","0.01","66.08","0.07","85.89","0.05","69.08","0.03","2005","2","293","2","","","","","","","","","","5","P -1","-P 1","2","","Bis[(μ-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate.","","- C43 H36 Cu2 N4 O12 -","- C43 H36 Cu2 N4 O12 -","- C86 H72 Cu4 N8 O24 -","2","1","GS1051","Lemoine, Pascale; Nguyen-Huy, Dung; Viossat, Bernard; Léger, Jean-Michel; Tomas, Alain","Bis[(μ-<i>O</i>,<i>O</i>'-salicylato)(2,2'-bipyridyl)copper(II)] acetylsalicylic acid dihydrate","Acta Crystallographica Section C","1999","55","12","2068","2070","10.1107/S0108270199012068","","","1.5418","CuKα","","0.0536","0.0342","","0.0944","0.0839","","","","1.037","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009277","20.521","0.003","20.521","0.003","6.1384","0.0007","90","","90","","90","","2585","0.6","180","2","180","2","","","","","","","","4","I 4","I 4","79","","(2S,4S)-(hydroxymethyl)-2-dioxane-1,3]-ferrocene","","- C15 H18 Fe O3 -","- C15 H18 Fe O3 -","- C120 H144 Fe8 O24 -","8","1","GS1052","Jerome Chiffre; Eric Manoury; Jean-Claude Daran; Gilbert G. A. Balavoine","[(2<i>S</i>,4<i>S</i>)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene","Acta Crystallographica Section C","1999","55","12","2045","2047","10.1107/S010827019901207X","","","0.71073","MoKα","","0.0268","0.024","","","","0.0663","","","","","","1.133","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009278","14.157","0.0002","12.9188","0.0002","7.2671","0.0001","90","","104.776","0.001","90","","1285.14","0.03","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[2-(2'-Pyridyl-N)quinoxaline-N~1~,N~4~]silver (I) nitrate","","- C13 H9 Ag N4 O3 -","- C13 H9 Ag N4 O3 -","- C52 H36 Ag4 N16 O12 -","4","1","HA1261","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Xiao-Feng Chen; Xu-Hui Zhu; Xiao-Zeng You","[2-(2-Pyridyl-<i>N</i>)quinoxaline-<i>N</i>^1^]silver(I) nitrate","Acta Crystallographica Section C","1999","55","12","2035","2037","10.1107/S0108270199010938","","","0.71073","MoKα","","0.0365","0.0317","","","","0.0776","","","","","","0.968","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009279","9.009","0.002","6.756","0.002","21.276","0.009","90","","91.76","0.01","90","","1294.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Carbonato-O,O')bis(propane-1,3-diyldiamine-N,N')cobalt(III) chloride monohydrate","","- C7 H22 Cl Co N4 O4 -","- C7 H22 Cl Co N4 O4 -","- C28 H88 Cl4 Co4 N16 O16 -","4","1","HA1264","Zhu, Hai-Liang; Chen, Xiao-Ming","(Carbonato-<i>O</i>,<i>O</i>')bis(propane-1,3-diyldiamine-<i>N</i>,<i>N</i>')cobalt(III) chloride monohydrate","Acta Crystallographica Section C","1999","55","12","2010","2012","10.1107/S0108270199010525","","","0.71073","MoKα","","0.058","0.043","","","","0.115","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009280","8.732","0.0001","21.716","0.0003","11.246","0.0002","90","","90","","90","","2132.51","0.05","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Disodium bis(μ-2-oxo-2-methylpropanoate dioxovanadium(V) heptahydrate","","- C8 H26 Na2 O17 V2 -","- C8 H12 Na2 O17 V2 -","- C32 H48 Na8 O68 V8 -","4","0.5","HA1265","Bourne, Susan A.; Cruywagen, J.J.; Kleinhorst, Angela","Disodium bis[μ-2-hydroxy-2-methylpropanoato(2 ‒)]-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^;<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^-bis[dioxovanadate(V)] heptahydrate","Acta Crystallographica Section C","1999","55","12","2002","2004","10.1107/S010827019901094X","","","0.7107","MoKα","","0.0453","0.0358","","","","0.1211","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009281","8.8253","0.0007","11.5326","0.0009","14.3441","0.0011","69.839","0.001","77.083","0.001","87.933","0.001","1334.45","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H45 Cl I N4 O0.5 -","- C21.5 H42 Cl I N4 -","- C43 H84 Cl2 I2 N8 -","2","1","HA1266","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","A cyclam-like macrocycle side-bridged by a propyl chain","Acta Crystallographica Section C","1999","55","12","2188","2190","10.1107/S0108270199011038","","","0.71073","MoKα","","0.0765","0.049","","","","0.1339","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009282","7.658","0.001","25.364","0.004","11.5","0.002","90","","95.17","0.01","90","","2224.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(2-ethyl-3-Hydroxy-pyranonato)diiodotin(IV) acetonitrile","","- C16 H17 I2 N O6 Sn -","- C16 H17 I2 N O6 Sn -","- C64 H68 I8 N4 O24 Sn4 -","4","1","HA1269","Lu, Zaisheng; Burgess, John; Fawcett, John; Russell, David R.","Bis(2-ethyl-3-hydroxy-4-pyranonato)diiodotin(IV) acetonitrile solvate","Acta Crystallographica Section C","1999","55","12","2051","2053","10.1107/S0108270199011683","","","0.71073","MoKα","","0.077","0.044","","","","0.098","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009283","9.714","0.002","16.742","0.002","16.54","0.002","90","","90","","90","","2689.9","0.7","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyltelluro-N-phenylbenzamide","","- C14 H13 N O Te -","- C14 H13 N O Te -","- C112 H104 N8 O8 Te8 -","8","1","JA1000","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","2-Methyltelluro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1999","55","12","2100","2102","10.1107/S010827019901118X","","","0.71073","MoKα","","0.036","0.027","","","","0.074","","","","","","1.031","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009284","12.4702","0.0002","15.8641","0.0003","16.9102","0.0003","90","","109.033","0.001","90","","3162.43","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H98 Mo2 N2 O8 S2 -","- C52 H98 Mo2 N2 O8 S2 -","- C104 H196 Mo4 N4 O16 S4 -","2","0.5","JA1002","Wei, Qiang; Zhuang, Botao; Chen, Jiutong","A long-chain alkyl-tethered Mo~2~S~2~ core, [Bu~4~N]~2~[Mo~2~(CO)~8~(<i>n</i>-C~6~H~13~ S)~2~]","Acta Crystallographica Section C","1999","55","12","2047","2049","10.1107/S0108270199011191","","","0.71073","MoKα","","0.0624","0.044","","0.1144","","0.1053","","","1.092","","","1.143","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009285","9.496","0.001","10.662","0.0008","12.966","0.002","71.481","0.008","75.78","0.01","66.16","0.01","1128.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-croconato-bis{μ-[N,N'-bis(3-amino-2,2-dimethylpropyl)oxamidato(2-) -N,O':N',O]-dicopper(II)} tetrahydrate","","- C34 H56 Cu4 N8 O18 -","- C34 H56 Cu4 N8 O18 -","- C34 H56 Cu4 N8 O18 -","1","0.5","JZ1319","Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio Costantino","A tetracopper(II) complex containing two μ-oxamidato-dicopper(II) units linked by croconate anions","Acta Crystallographica Section C","1999","55","12","2043","2045","10.1107/S0108270198014504","","","0.71073","MoKα","","0.052","0.032","","0.093","","0.087","","","","","","1.065","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009286","6.056","0.001","26.822","0.003","7.713","0.001","90","","106.61","0.01","90","","1200.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-benzoyl-2-methyl-1,3-dithiane","(2-methyl-1,3-dithian-2-yl)phenylmethanone","","- C12 H14 O S2 -","- C12 H14 O S2 -","- C48 H56 O4 S8 -","4","1","JZ1341","Stahl, Ingfried; Schomberg, Iris; Frenzen, Gerlinde","2-Benzoyl-2-methyl-1,3-dithiane","Acta Crystallographica Section C","1999","55","12","2179","2182","10.1107/S010827019901135X","","","0.71073","MoKα","","0.0698","0.0384","","","","0.079","","","","","","0.999","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009287","16.8265","0.0013","15.7626","0.0013","7.2886","0.0005","90","","90","","90","","1933.2","0.3","200","2","200","2","","","","","","","","5","P n n m","-P 2 2n","58","Cu NH3 Ni(CN)4, 23611","decaammine-5k^3^N,6k^2^N,7k^2^N,8k^3^N-octa-m-cyano-1:5k^2^C:N;1:6k^2^C:N; 2:6k^2^C:N;2:7k^2^C:N;3:6k^2^C:N;3:7k^2^C:N;4:7k^2^C:N;4:8k^2^C:N-octacyano- 1k^2^C,2k^2^C,3k^2^C,4k^2^C-tetracopper(II)tetranickel(II)","","- C16 H36 Cu4 N28 Ni4 -","- C16 H36 Cu4 N28 Ni4 -","- C32 H72 Cu8 N56 Ni8 -","2","0.25","JZ1356","Janiak, Christoph; Wu, He-Ping; Klüfers, Peter; Mayer, Peter","A molecular tetraamminecopper(II)-<i>trans</i>-diamminecopper(II) tetracyanonickelate(II) coordination compound","Acta Crystallographica Section C","1999","55","12","1966","1969","10.1107/S0108270199010859","","","0.71073","MoKα","","0.061","0.033","","","","0.073","","","","","","0.854","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009288","29.143","0.004","7.456","0.002","14.855","0.002","90","","116.33","0.02","90","","2893","1.1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olide","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","JZ1358","Gzella, Andrzej","Triterpenoide. XVII. 3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18β-olean-12-en-2,9α-olid","Acta Crystallographica Section C","1999","55","12","2151","2153","10.1107/S0108270199009178","","","1.54178","CuKα","","0.04","0.033","","","","0.095","","","","","","1.038","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009289","13.8993","0.0007","8.2374","0.0004","12.0633","0.0006","90","","105.843","0.001","90","","1328.71","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2‒Tosylaminobenzaldehyde","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","JZ1360","Mahía, José; Maestro, Miguel; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino","2-Tosylaminobenzaldehyde","Acta Crystallographica Section C","1999","55","12","2158","2160","10.1107/S0108270199011580","","","0.71073","MoKα","","0.0609","0.0417","","","","0.1134","","","","","","1.015","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009290","11.3083","0.0012","13.595","0.0012","17.971","0.0014","90","","90","","90","","2762.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.038","0.031","","","","0.09","","","","","","1.058","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009291","6.8765","0.0012","13.607","0.0014","29.118","0.003","90","","90","","90","","2724.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.048","0.037","","","","0.111","","","","","","1.045","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009292","7.393","0.001","7.736","0.001","8.679","0.001","91.01","0.01","105.43","0.01","109.98","0.01","446.44","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","EtOOH","4,6-Diethoxy-1,3,5-triazin-2(1H)-one","","- C7 H11 N3 O3 -","- C7 H11 N3 O3 -","- C14 H22 N6 O6 -","2","1","JZ1365","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","4,6-Diethoxy-1,3,5-triazin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1999","55","12","2109","2111","10.1107/S010827019901149X","","","0.71073","MoKα","","0.0555","0.0379","","","","0.092","","","","","","0.901","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009293","8.178","0.002","10.674","0.003","12.992","0.003","75.79","0.01","75.94","0.01","88.62","0.01","1065.7","0.5","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","η^5^-pentamethylcyclopentadienyl-η^4^-(2-methylbuta-1,3-diene)-acetonitrile- ruthenium(II) trifluoromethanesulfonate","","- C18 H26 F3 N O3 Ru S -","- C18 H26 F3 N O3 Ru S -","- C36 H52 F6 N2 O6 Ru2 S2 -","2","1","KA1309","Gemel, Christian; Kirchner, Karl; Schmid, Roland; Mereiter, Kurt","(Acetonitrile-<i>N</i>)(η^4^-2-methylbuta-1,3-diene)(η^5^-pentamethylcyclopentadienyl)ruthenium(II) trifluoromethanesulfonate","Acta Crystallographica Section C","1999","55","12","2053","2055","10.1107/S0108270199012342","","","0.71073","MoKα","","0.035","0.03","","","","0.077","","","","","","1.062","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009294","8.338","0.001","8.973","0.001","14.393","0.002","80.337","0.014","84.339","0.014","63.179","0.013","947","0.2","100","2","","","","","","","","","","3","P -1","-P 1","2","Decabromodiphenylether","Decabromodiphenylether","","- C12 Br10 O -","- C12 Br10 O -","- C24 Br20 O2 -","2","1","KA1314","Eriksson, Johan; Eriksson, Lars; Jakobsson, Eva","Decabromodiphenyl ether","Acta Crystallographica Section C","1999","55","12","2169","2171","10.1107/S0108270199008884","","","0.7107","MoKα","","0.0455","0.0323","","0.045","","0.0443","","","1.667","","","1.844","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009295","7.3308","0.0012","12.733","0.003","37.471","0.007","90","","90","","90","","3497.7","1.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4b,8,8,10a-tetramethyl- 1,2-phenanthrenedicarboxaldehyde","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","KA1332","Puliti, Raffaella; Mattia, Carlo Andrea","<i>ent</i>-Isocopal-12-ene-15,16-dialdehyde from <i>Spongia officinalis</i>","Acta Crystallographica Section C","1999","55","12","2160","2163","10.1107/S0108270199011233","","","1.54056","CuKα","","0.0614","0.0436","","","","0.0494","","","","","","0.918","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009296","5.865","0.002","14.179","0.003","19.487","0.003","90","","94.33","0.04","90","","1615.9","0.7","295.2","","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl3 N O2 -","- C16 H12 Cl3 N O2 -","- C64 H48 Cl12 N4 O8 -","4","1","KA1334","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri","3,3-Dichloro-1-(<i>p</i>-chlorophenyl)-4-(<i>p</i>-methoxyphenyl)-2-azetidinone","Acta Crystallographica Section C","1999","55","12","2115","2117","10.1107/S0108270199012093","","","0.7107","MoKα","","0.121","0.065","","","","0.206","","","","","","1.227","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009297","21.644","0.009","5.398","0.002","16.765","0.005","90","","101.97","0.02","90","","1916.1","1.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rac-5,5'-Bis(2-acetoxypropyl)-2,2'-furil","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","0.5","KA1337","Handrosch, Carsten; Heinemann, Frank W.; Kisch, Horst","<i>rac</i>-5,5'-Bis(2-acetoxypropyl)-2,2'-furil","Acta Crystallographica Section C","1999","55","12","2184","2186","10.1107/S0108270199011919","","","0.71073","MoKα","","0.131","0.067","","","","0.191","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009298","8.4311","0.0012","14.505","0.002","15.609","0.003","73.317","0.01","85.702","0.018","89.375","0.01","1823.3","0.5","158","2","158","2","","","","","","","","3","P -1","-P 1","2","","rac-(3R,5S)-5-(1-cyclopropyl-1-methyl-ethyl)-3,5-diphenyl-dihydrofuran-2-one","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","2","KA1338","Bats, Jan W.; Hoyer, Karsten; Mulzer, Johann","<i>rac</i>-(3<i>R</i>,5<i>S</i>)-5-(1-Cyclopropyl-1-methylethyl)-3,5-diphenyl-2,3,4,5-tetrahydrofuran-2-one, a triclinic structure with local monoclinic pseudosymmetry","Acta Crystallographica Section C","1999","55","12","2124","2126","10.1107/S0108270199010161","","","0.71073","MoKα","","0.151","0.097","","","","0.147","","","","","","1.708","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009299","7.804","0.004","5.765","0.002","14.164","0.009","90","","102.37","0.01","90","","622.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(imidazole)bis(thiocyanato)cadmium(II)]","","- C8 H8 Cd N6 S2 -","- C8 H8 Cd N6 S2 -","- C16 H16 Cd2 N12 S4 -","2","0.5","OB1018","Chen, Hong-Ji; Yang, Guang; Chen, Xiao-Ming","<i>catena</i>-Poly[[bis(imidazole-<i>N</i>^3^)cadmium(II)]-bis(μ-thiocyanato)-<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>]","Acta Crystallographica Section C","1999","55","12","2012","2014","10.1107/S0108270199011075","","","0.71073","MoKα","","0.027","0.023","","","","0.059","","","","","","1.114","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009300","8.9483","0.0014","27.469","0.005","9.111","0.002","90","","90","","90","","2239.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole/ethyl acetate(3:1)","","- C24.33 H21.67 N3 O4.67 -","- C24.32 H19 N3 O4.66 -","- C97.28 H76 N12 O18.64 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.189","0.077","","0.256","","0.182","","","1.192","","","1.403","","","warnings","has coordinates,has disorder","249443","2020-10-21","18:00:00",""
"2009301","8.896","0.001","26.771","0.005","9.209","0.002","90","","90","","90","","2193.2","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C92 H76 N12 O16 -","4","1","OB1019","Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko","An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","1999","55","12","2084","2087","10.1107/S0108270199011087","","","0.71073","MoKα","","0.225","0.065","","0.213","","0.142","","","0.95","","","1.06","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009302","6.7367","0.0005","13.6547","0.0005","14.2727","0.0004","90","","93.392","0.005","90","","1310.61","0.11","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dicarbomethoxy-1,2-butadienylirontricarbonyl","","- C11 H10 Fe O7 -","- C11 H10 Fe O7 -","- C44 H40 Fe4 O28 -","4","1","OB1020","Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai","Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1999","55","12","2007","2010","10.1107/S0108270199011695","","","0.71073","MoKα","","0.0492","0.0385","","","","0.1226","","","","","","0.862","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009303","7.6839","0.0004","8.7128","0.0009","14.049","0.001","105.614","0.008","97.418","0.005","102.04","0.006","868.62","0.13","295","2","","","","","","","","","","4","P -1","-P 1","2","","2,3-dicarbomethoxy-1,2-butadienyl-bis-irontricarbonyl","","- C14 H10 Fe2 O10 -","- C14 H10 Fe2 O10 -","- C28 H20 Fe4 O20 -","2","1","OB1020","Kongsaeree, Palangpon; Tanboriphan, Suthad; Tarnchompoo, Bongkoch; Thebtaranonth, Yodhathai","Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)~3~]~2~‒dimethyl 1,3-butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1999","55","12","2007","2010","10.1107/S0108270199011695","","","0.71073","MoKα","","0.0435","0.0366","","","","0.1126","","","","","","0.883","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009304","12.653","0.003","8.0849","0.0006","5.5247","0.0009","90","","95.408","0.008","90","","562.65","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C22 H26 N2 O6 -","2","1","OB1021","Inouye, Yoshinobu; Ishimura, Tomoyuki","Methyl (<i>R</i>,<i>Z</i>)-(1-phenylethylimino)acetate <i>N</i>-oxide","Acta Crystallographica Section C","1999","55","12","2087","2088","10.1107/S0108270199011506","","","0.71073","MoKα","","0.093","0.054","","0.268","","0.188","","","0.917","","","0.801","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009305","9.5728","0.0003","16.3086","0.0006","9.0007","0.0003","90","","112.114","0.003","90","","1301.81","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[tetraaquapraesodymium(III)-μ-(iminiodiacetato-O,O':O':O'',O''':O''')] dichloride hydrate]","","- C4 H16 Cl2 N O9 Pr -","- C4 H16 Cl2 N O9 Pr -","- C16 H64 Cl8 N4 O36 Pr4 -","4","1","OS1068","Li, Jun-Ran; Wang, Zhe-Ming; Yan, Chun-Hua; Zhou, Li-Ping; Jin, Tian-Zhu","Poly[[tetraaquapraesodymium(III)-μ-(iminiodiacetato-<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'',<i>O</i>''':<i>O</i>''')] dichloride hydrate]","Acta Crystallographica Section C","1999","55","12","2073","2075","10.1107/S0108270199011658","","","0.71073","MoKα","","0.021","0.019","","","","0.047","","","","","","1.163","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009306","22.294","0.002","22.294","0.002","22.294","0.002","90","","90","","90","","11080.6","1.7","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","rubidium tetracontaoxo(hydro)(dodecamolybdo)vanadate tetradecahydrate","","- H29.89 Mo12 O54.95 Rb4.361 V0.616 -","- Mo12 O54.96 Rb4.362 V0.62 -","- Mo96 O439.68 Rb34.896 V4.96 -","8","0.0416667","OS1070","Pay Gómez, Cesar; Eriksson, Lars","Heteropoly blue Rb~4.4~[H~0.6~V~0.6~Mo~12~O~40~]","Acta Crystallographica Section C","1999","55","12","1974","1976","10.1107/S0108270199011208","","","0.71073","MoKα","","0.065","0.054","","","","0.186","","","","","","1.154","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009307","5.4835","0.0004","12.3418","0.0008","29.4245","0.0019","90","","90","","90","","1991.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-L-phenylalanine‒2-propanol solvate (1/2)","","- C18 H32 N2 O5 -","- C18 H32 N2 O5 -","- C72 H128 N8 O20 -","4","1","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.113","0.076","","","","0.203","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009308","9.8958","0.0002","22.3517","0.0006","16.4571","0.0003","90","","90.023","0.001","90","","3640.11","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-valyl-L-phenylalanine‒2-propanol solvate (1/1)","","- C17 H28 N2 O4 -","- C17 H28 N2 O4 -","- C136 H224 N16 O32 -","8","4","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71069","MoKα","","0.158","0.08","","","","0.139","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009309","10.0858","0.0002","16.3754","0.0002","11.7987","0.0002","90","","91.698","0.001","90","","1947.81","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucyl-L-phenylalanine‒2-propanol solvate (1/1)","","- C18 H30 N2 O4 -","- C18 H30.102 N2 O4.051 -","- C72 H120.408 N8 O16.204 -","4","2","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.153","0.079","","","","0.169","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009310","10.586","0.002","11.925","0.002","7.803","0.002","90","","105.64","0.03","90","","948.6","0.4","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diaqua{hydrogen bis[1-(pyridin-2-yl)ethanone oximato-N,N']}nickel(II) perchlorate hydrate.","","- C14 H21 Cl N4 Ni O9 -","- C14 H21 Cl N4 Ni O9 -","- C28 H42 Cl2 N8 Ni2 O18 -","2","0.5","OS1079","Pajunen, Aarne; Orama, Marjatta; Saarinen, Heikki","Diaqua{hydrogen bis[1-(2-pyridyl)ethanone oximato-<i>N</i>,<i>N</i>']}nickel(II) perchlorate hydrate","Acta Crystallographica Section C","1999","55","12","2075","2077","10.1107/S010827019901166X","","","0.71073","MoKα","","0.03","0.03","","","","0.084","","","","","","1.115","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009311","7.002","0.002","18.442","0.005","11.443","0.002","90","","102.72","0.02","90","","1441.4","0.6","298.2","","298.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]- imidazo[1,2-a][1,3]benzimidazol-2(12H)-one","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","QA0184","Moses Babu, J.; Vyas, K.; Prabhakar, C.; Sreenivas Rao, D.; Om Reddy, G.","An omeprazole impurity","Acta Crystallographica Section C","1999","55","12","IUC9900162","","10.1107/S0108270199098194","","","1.5418","CuKα","","0.074","0.059","","0.104","","0.094","","","1.927","","","1.967","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009312","12.186","0.001","8.7763","0.0009","20.4128","0.0009","90","","104.593","0.004","90","","2112.7","0.3","298.2","","298.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-Acetyloxy-3,5,6-trimethyl-1-[4-nitrobenzoyl]oxy-2-yl]butan-2-one","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","QA0185","Prabhakar, C.; Vyas, K.; Moses Babu, J.; Sarma, M. R.; Om Reddy, G.","4-Acetoxy-3,5,6-trimethyl-2-(3-oxobutyl)phenyl 4-nitrobenzoate","Acta Crystallographica Section C","1999","55","12","IUC9900160","","10.1107/S0108270199098212","","","1.5418","CuKα","","0.0619","0.0482","","0.0836","","0.0797","","","1.799","","","1.931","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009313","10.136","0.005","16.778","0.006","5.066","0.006","97.62","0.07","100.65","0.06","95.95","0.04","831.9","1.1","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","Celecoxib","4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-yl]benezenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","QA0186","Vasu Dev, R.; Shashi Rekha, K.; Vyas, K.; Mohanti, S. B.; Rajender Kumar, P.; Om Reddy, G.","Celecoxib, a COX-II inhibitor","Acta Crystallographica Section C","1999","55","12","","","10.1107/S0108270199098200","","","1.5418","CuKα","","0.115","0.088","","0.096","","0.092","","","1.746","","","1.881","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009314","7.7633","0.0008","22.049","0.002","13.0223","0.0019","90","","90","","90","","2229.1","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Dioxo-7-(D-arabino-1,2,3,4-tetraacetyloxibutyl)-1-methyl- 1,2,3,4-tetrahydropteridine","","- C19 H22 N4 O10 -","- C19 H22 N4 O10 -","- C76 H88 N16 O40 -","4","1","QA0188","Low, John Nicolson; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo","7-(<small>D</small>-<i>arabino</i>-1,2,3,4-Tetraacetoxybutyl)-1-methyl-1,2,3,4-tetrahydropteridine-2,4-dione","Acta Crystallographica Section C","1999","55","12","IUC9900163","","10.1107/S0108270199098297","","","0.71073","MoKα","","0.122","0.06","","","","0.117","","","","","","0.939","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009315","14.3951","0.0011","8.9771","0.0009","19.052","0.002","90","","90","","90","","2462","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Amino-5-N-acetyl-N-(β-D-3,4,6-tri-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methylpyrimidine, water solvent","","- C19 H28 N4 O12 -","- C19 H28 N4 O12 -","- C76 H112 N16 O48 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.088","0.054","","","","0.148","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009316","9.0315","0.0008","17.0918","0.0013","18.1487","0.0013","90","","90","","90","","2801.5","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Acetamido-5-N-acetyl-N-(β-D-2,3,4,6-tetra-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methyl-pyrimidine","","- C23 H30 N4 O13 -","- C23 H30 N4 O13 -","- C92 H120 N16 O52 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.074","0.039","","","","0.099","","","","","","0.986","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009317","10.055","0.002","10.405","0.002","12.138","0.002","100.89","0.03","98.99","0.03","96.72","0.03","1217.6","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Piperidinium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione","","- C10 H17 N5 O3 -","- C10 H17 N5 O3 -","- C40 H68 N20 O12 -","4","2","QB0126","Low, John Nicolson; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo","Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide","Acta Crystallographica Section C","1999","55","12","IUC9900153","","10.1107/S0108270199098303","","","0.71073","MoKα","","0.103","0.051","","","","0.135","","","","","","0.988","","","","has coordinates,has Fobs","198282","2020-10-21","18:00:00",""
"2009318","4.9241","0.0014","4.9241","","23.875","0.004","90","","90","","120","","501.33","0.17","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La Mg2 Ni9 -","- La Mg2 Ni9 -","- La3 Mg6 Ni27 -","3","0.0833333","QB0128","Kadir, Karim; Yamamoto, Hitoshi; Sakai, Tetsuo; Uehara, Itsuki; Kanehisa, Noduko; Kai, Yasushi; Eriksson, Lars","LaMg~2~Ni~9~, an example of the new <i>AB</i>~2~<i>C</i>~9~ structure type","Acta Crystallographica Section C","1999","55","12","IUC9900152","","10.1107/S0108270199098418","","","0.71069","MoKα","","0.051","0.049","","","","0.145","","","","","","1.086","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009319","19.477","0.004","17.178","0.003","15.262","0.003","90","","107.23","0.03","90","","4877.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","O,O-two(β-trinitrideethyl)-α-p-toluenesulfonamido-α-m- nitrobenzalphospite","","- C18 H21 N8 O7 P S -","- C18 H21 N8 O7 P S -","- C144 H168 N64 O56 P8 S8 -","8","2","QB0129","Zhang, Jin-nan; Ye, Ling; Xi, Hong-wei; Li, Qi","Bis(2-azidoethyl) [(3-methylphenyl)(<i>p</i>-toluenesulfonamido)methyl]phosphonate","Acta Crystallographica Section C","1999","55","12","IUC9900157","","10.1107/S0108270199098224","","","0.71073","MoKα","","0.106","0.061","","0.232","0.161","","","","1.043","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009320","10.0695","0.0008","8.2112","0.0006","29.701","0.003","90","","90","","90","","2455.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Phenylferrocene","Phenylferrocene","","- C16 H14 Fe -","- C16 H14 Fe -","- C128 H112 Fe8 -","8","1","QB0130","Fan, Hua-Jun; Carducci, Michael D.; Grittini, Carina; Mendoza, Alvaro; Lichtenberger, Dennis L.","Phenylferrocene","Acta Crystallographica Section C","1999","55","12","IUC9900154","","10.1107/S0108270199098406","","","0.71073","MoKα","","0.104","0.04","","","","0.092","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009321","6.728","0.0008","6.728","0.0019","6.728","0.0013","90","","90","","90","","304.55","0.11","293","2","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- B H4 K -","- B H4 K -","- B4 H16 K4 -","4","0.0208333","QB0131","Luck, Rudy L.; Schelter, Eric J.","Potassium borohydride","Acta Crystallographica Section C","1999","55","12","IUC9900151","","10.1107/S010827019909842X","","","0.71073","MoKα","","","0.005","","","","0.011","","","","","","1.239","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009322","9.139","0.001","13.522","0.002","17.737","0.002","90","","90","","90","","2191.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(methylcyclopentadienyl)(piperidino-N)ytterbium piperidinate","","- C22 H35 N2 Yb -","- C22 H35 N2 Yb -","- C88 H140 N8 Yb4 -","4","1","QB0132","Wang, Yaorong; Yao, Yingming; Shen, Qi; Yu, Kaibei","Bis(η^5^-methylcyclopentadienyl)(piperidine-<i>N</i>)(piperidinido-<i>N</i>)ytterbium","Acta Crystallographica Section C","1999","55","12","IUC9900159","","10.1107/S0108270199098376","","","0.71073","MoKα","","0.029","0.024","","","","0.055","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009323","10.4027","0.0002","11.5682","0.0002","14.9296","0.0003","77.0833","0.0013","72.0218","0.0012","85.2316","0.0011","1665.48","0.06","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Dimethyl-2-(6-benzyloxy-2-methylthio-4-pyrimidinyl)imino-3-(triphenyl- λ^5^-phosphanylidene)succinate","","- C36 H32 N3 O5 P S -","- C36 H32 N3 O5 P S -","- C72 H64 N6 O10 P2 S2 -","2","1","QB0133","Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Low, John Nicolson","Dimethyl 2-(6-benzyloxy-2-methylthiopyrimidin-4-yl)imino-3-(triphenyl-λ^5^-phosphanylidene)succinate","Acta Crystallographica Section C","1999","55","12","IUC9900150","","10.1107/S0108270199098315","","","0.71073","MoKα","","0.065","0.042","","","","0.128","","","","","","1.077","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009324","33.1828","0.0016","6.3349","0.0007","5.5592","0.0008","90","","92.406","0.007","90","","1167.6","0.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Alanyl-L-leucine hemihydrate","","- C9 H19 N2 O3.5 -","- C9 H19 N2 O3.5 -","- C36 H76 N8 O14 -","4","1","QB0134","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-leucine hemihydrate","Acta Crystallographica Section C","1999","55","12","IUC9900149","","10.1107/S0108270199098327","","","0.71073","MoKα","","0.0798","0.0752","","","","0.1978","","","","","","1.156","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009325","11.2104","0.0002","11.009","0.0002","30.5831","0.0006","90","","93.44","0.001","90","","3767.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diazidobis(4,4'-di-tert-butyl-2,2'-bipyridine-N,N')manganese(II)","","- C36 H48 Mn N10 -","- C36 H48 Mn N10 -","- C144 H192 Mn4 N40 -","4","1","QB0135","Shen, Zhen; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zuo, Jing-lin; You, Xiao-Zeng","Diazidobis(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","1999","55","12","IUC9900167","","10.1107/S0108270199098352","","","0.71073","MoKα","","0.103","0.058","","","","0.155","","","","","","0.939","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009326","7.8759","0.0002","13.4002","0.0003","7.2779","0.0001","90","","110.632","0.001","90","","718.84","0.03","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl N -","- C6 H8 Cl N -","- C24 H32 Cl4 N4 -","4","0.5","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.0344","0.031","","0.083","0.0809","0.083","","","1.112","","","1.112","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009327","7.396","0.001","15.277","0.003","12.336","0.002","90","","91.23","0.02","90","","1393.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cl N -","- C6 H8 Cl N -","- C48 H64 Cl8 N8 -","8","2","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.185","0.087","","","","0.151","","","","","","1.055","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009328","12.973","0.002","6.491","0.001","8.327","0.001","90","","90","","90","","701.2","0.17","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Br N -","- C6 H8 Br N -","- C24 H32 Br4 N4 -","4","0.5","QB0137","Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael","Three hydrohalogenides of organic nitrogen bases","Acta Crystallographica Section C","1999","55","12","IUC9900156","","10.1107/S0108270199098261","","","0.71073","MoKα","","0.03","0.026","","","","0.058","","","","","","1.171","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009329","12.639","0.006","13.674","0.006","16.599","0.006","109.19","0.02","101.56","0.02","91.71","0.02","2640","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Octabutyl 1-κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C- tetrakis[μ-(2,3-diphenylquinoxalinyl-8-carboxylato)]- 1:2κ^2^O,O';2:3κ^2^O;3:4κ^2^O,O';1:4κ^2^O- bis-μ~3~-oxo-1:2:3κ^3^O-tetratin","","- C116 H124 N8 O10 Sn4 -","- C116 H124 N8 O10 Sn4 -","- C116 H124 N8 O10 Sn4 -","1","0.5","QB0138","Lo, Kong Mun; Ng, Seik Weng","Bis[1,1,3,3-tetrabutyl-1,3-bis(2,3-diphenylquinoxaline-6-carboxylato)-1,3-distannoxane]","Acta Crystallographica Section C","1999","55","12","IUC9900155","","10.1107/S010827019909839X","","","0.71073","MoKα","","0.139","0.07","","","","0.172","","","","","","1.01","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009330","22.474","0.006","7.36","0.001","18.283","0.005","90","","122.85","0.01","90","","2540.6","1.1","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N4 O4 -","- C12 H8 Cu N4 O4 -","- C96 H64 Cu8 N32 O32 -","8","1","QB0139","Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry","Dinitrito(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","1999","55","12","IUC9900158","","10.1107/S0108270199098388","","","0.71073","MoKα","","","0.034","","","","0.051","","","","","","1.87","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009331","12.4124","0.0005","13.8275","0.0004","14.3744","0.0006","91.747","0.002","106.638","0.0017","99.61","0.002","2322.64","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-(4-chlorophenyl)-5-cyano-3-(4-methylphenyl)-6-diphenyl-4,7-dihydro-2H-pyrazolo [3,4-b]pyridine:dimethylformamide (2/1)","","- C55 H45 Cl2 N9 O -","- C55 H45 Cl2 N9 O -","- C110 H90 Cl4 N18 O2 -","2","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.16","0.062","","","","0.162","","","","","","0.934","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009332","15.6264","0.0003","12.4397","0.0002","21.1296","0.0004","90","","91.4371","0.0009","90","","4106.04","0.13","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Cyano-4-(4-methoxyphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo- [3,4-b]pyridine","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C208 H160 N32 O8 -","8","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.0561","0.0477","","","","0.1288","","","","","","1.057","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009333","6.6222","0.0005","11.0791","0.001","28.264","0.002","90","","96.248","0.005","90","","2061.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Bis(4-chlorophenyl)-5-cyano-6-phenyl-1H-pyrazolo-[3,4-b]pyridine","","- C25 H14 Cl2 N4 -","- C25 H14 Cl2 N4 -","- C100 H56 Cl8 N16 -","4","1","QB0140","Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines","Acta Crystallographica Section C","1999","55","12","IUC9900168","","10.1107/S0108270199098273","","","0.71073","MoKα","","0.16","0.0576","","","","0.115","","","","","","0.935","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009334","15.758","0.003","15.306","0.002","14.496","0.002","90","","90","","90","","3496.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Perchlorato[(5RS,9SR)-1,5,9,13-tetraazatridecane]copper(II) perchlorate","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C72 H192 Cl16 Cu8 N32 O64 -","8","1","QB0141","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","[(5<i>RS</i>,9<i>SR</i>)-4,8-Diazaundecane-1,11-diamine](perchlorato-<i>O</i>,<i>O</i>')copper(II) perchlorate","Acta Crystallographica Section C","1999","55","12","IUC9900172","","10.1107/S0108270199098339","","","0.71073","MoKα","","0.165","0.058","","","","0.164","","","","","","0.955","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009335","9.266","0.001","9.664","0.001","16.649","0.001","90","","98.47","0.01","90","","1474.6","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","QB0143","Jerdioui, Badia; Zenkouar, Mohammed; El-Bali, Brahim; Bolte, Michael","<i>trans</i>-Bis(4-quinolyl)ethylene","Acta Crystallographica Section C","1999","55","12","IUC9900169","","10.1107/S0108270199098248","","","0.71073","MoKα","","0.0554","0.0386","","","","0.1046","","","","","","1.007","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009336","8.856","0.001","9.349","0.001","19.778","0.001","90","","90","","90","","1637.5","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-but-3-en-2-one","","- C10 H10 O -","- C10 H10 O -","- C80 H80 O8 -","8","1","QB0145","Degen, Alexander; Bolte, Michael","4-Phenylbut-3-en-2-one (benzalacetone)","Acta Crystallographica Section C","1999","55","12","IUC9900170","","10.1107/S0108270199098236","","","0.71073","MoKα","","0.0496","0.0411","","","","0.1218","","","","","","1.108","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009337","20.1188","0.0002","30.5945","0.0004","14.5526","0.0002","90","","107.048","0.001","90","","8563.89","0.19","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","/m-Oxo-/m-chloro-acetato-bis(dichlorotriphenylphosphinerhenium) chlorofrom solvate","","- C39 H34 Cl8 O3 P2 Re2 -","- C39 H34 Cl8 O3 P2 Re2 -","- C312 H272 Cl64 O24 P16 Re16 -","8","2","QB0147","Powell, Clem; Burrell, Anthony K.","μ-Acetato-μ-chloro-μ-oxo-bis[dichloro(triphenylphosphine)rhenium] chloroform solvate","Acta Crystallographica Section C","1999","55","12","IUC9900171","","10.1107/S0108270199098340","","","0.71073","MoKα","","0.052","0.037","","","","0.091","","","","","","1.199","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009338","11.333","0.002","16.949","0.003","13.344","0.002","90","","108.17","0.01","90","","2435.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O4 -","- C30 H23 N3 O4 -","- C120 H92 N12 O16 -","4","1","QB0148","Badri, Rahima; Kerbal, Abdelali; Najib, Bitit; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael","3'-(<i>p</i>-Nitrophenyl)-2-phenyl-4'-(<i>p</i>-tolyl)spiro[isoquinoline-3(2<i>H</i>),5'(4'<i>H</i>)-isoxazolin]-4(1<i>H</i>)-one","Acta Crystallographica Section C","1999","55","12","IUC9900165","","10.1107/S010827019909825X","","","0.71073","MoKα","","0.093","0.052","","","","0.125","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009339","13.919","0.004","9.211","0.004","14.856","0.004","90","","107.7","0.02","90","","1814.5","1.1","296.2","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","[1,3-dithiol-4,5-(3,4,5,6-tetramethylthio)-benzo-2-ylidnene, dichloro-Copper(II)]","","- C11 H12 Cl2 Cu S7 -","- C11 H12 Cl2 Cu S7 -","- C44 H48 Cl8 Cu4 S28 -","4","1","QB0149","Dai, Jie; Bian, Guo-qing; Zhou, Min-Yan; Maekawa, Masahiko; Munakata, Megumu","Dichloro(3,4,5,6-tetramethylthio-1,3-benzodithiazole-2-thione-<i>S</i>^5^,<i>S</i>^6^)copper(II)","Acta Crystallographica Section C","1999","55","12","IUC9900166","","10.1107/S0108270199098364","","","0.7107","MoKα","","","0.05","","","","0.1281","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009340","9.069","0.005","19.378","0.006","16.964","0.007","90","","105.15","0.05","90","","2878","2","301","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29 H30 Cl2 N4 Ni O2 Zn -","- C29 H30 Cl2 N4 Ni O2 Zn -","- C116 H120 Cl8 N16 Ni4 O8 Zn4 -","4","1","SK1264","Atakol, Orhan; Ercan, Filiz; Arici, Cengiz; Fuess, Hartmut; Svoboda, Ingrid","{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(4-methylpyridine)nickel(II)}dichlorozinc(II)","Acta Crystallographica Section C","1999","55","12","2023","2026","10.1107/S0108270199010707","","","0.71073","MoKα","","","0.029","","","0.076","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009341","4.7651","0.0006","9.3404","0.0015","37.066","0.006","90","","90","","90","","1649.7","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","Zinc heptanoate","Anhydrous Zinc(II) Heptanoate","","- C14 H26 O4 Zn -","- C14 H26 O4 Zn -","- C56 H104 O16 Zn4 -","4","1","SK1286","Jerôme Peultier; Michel Francois; Jean Steinmetz","Anhydrous polymeric zinc(II) heptanoate","Acta Crystallographica Section C","1999","55","12","2064","2065","10.1107/S0108270199008483","","","1.5418","CuKα","","0.112","0.055","","","","0.159","","","","","","0.908","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009342","10.336","0.004","11.65","0.004","5.846","0.003","97.45","0.04","96.11","0.04","83.5","0.03","690.5","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","2-chloro-4-benzoyl-6-phenyl pyrimidine","","- C17 H11 Cl N2 O -","- C17 H11 Cl N2 O -","- C34 H22 Cl2 N4 O2 -","2","1","SK1294","Mukherjee, Monika; Maiti, Susim; Khan, M. Wahab; Helliwell, Madeleine; Kundu, Nitya G.","4-Benzoyl-2-chloro-6-phenylpyrimidine","Acta Crystallographica Section C","1999","55","12","2186","2188","10.1107/S0108270199011865","","","0.71071","MoKα","","0.07","0.049","","0.134","","0.123","","","1.056","","","1.109","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009343","7.869","0.002","10.113","0.003","10.771","0.005","76.21","0.03","85.78","0.03","84.6","0.03","827.6","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3α-Hydroxy-5α-androstane-4,17-dione","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","2","SK1300","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α-Hydroxy-5α-androstane-4,17-dione","Acta Crystallographica Section C","1999","55","12","2149","2151","10.1107/S0108270199011877","","","0.71073","MoKα","","0.096","0.039","","","","0.113","","","","","","1.005","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009344","13.3506","0.0003","9.4397","0.0001","13.5106","0.0003","90","","109.566","0.001","90","","1604.36","0.05","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dioxo-bis(8-quinolinolato-N,O)tungsten(VI)","","- C18 H12 N2 O4 W -","- C18 H12 N2 O4 W -","- C72 H48 N8 O16 W4 -","4","0.5","SK1319","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhen-Feng Chen; Jing Zhang; Xiang Xue; Ren-Gen Xiong; Xiao-Zeng You","Dioxobis(8-quinolinolato-<i>N</i>,<i>O</i>)tungsten(VI)","Acta Crystallographica Section C","1999","55","12","2037","2039","10.1107/S0108270199010719","","","0.71073","MoKα","","0.04","0.035","","","","0.089","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009345","7.5803","0.0008","18.4838","0.0012","5.5653","0.0005","90","","90","","90","","779.77","0.12","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Potassiumdicoppervanadiumtetraselenide","Potassiumdicoppervanadiumtetraselenide","","- Cu2 K Se4 V -","- Cu2 K Se4 V -","- Cu8 K4 Se16 V4 -","4","0.5","SK1321","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","KCu~2~VSe~4~","Acta Crystallographica Section C","1999","55","12","1959","1961","10.1107/S0108270199011427","","","0.71073","MoKα","","0.029","0.02","","0.047","0.045","","","","1.036","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009346","16.3","0.0008","5.455","0.001","34.976","0.002","90","","90.667","0.004","90","","3109.7","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5,5-triphenyl-(4H)-1,2,4-oxadiazoline","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","SK1322","Szczepankiewicz, Wojciech; Suwiński, Jerzy; Słowikowska, Joanna","3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole","Acta Crystallographica Section C","1999","55","12","2156","2158","10.1107/S0108270199012482","","","1.54178","CuKα","","","0.0396","","","","0.1509","","","","","","0.937","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009347","8.574","0.001","8.7391","0.001","9.9027","0.0011","102.879","0.013","97.367","0.014","100.535","0.014","700","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Br4 Ru2 -","- C26 H34 Br4 Ru2 -","- C26 H34 Br4 Ru2 -","1","0.5","SK1323","Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink","Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate","Acta Crystallographica Section C","1999","55","12","2030","2032","10.1107/S0108270199010410","","","0.71073","MoKα","","0.0615","0.0566","","","","0.1389","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009348","8.755","0.001","9.09","0.001","10.42","0.001","103.71","0.01","96.18","0.01","100.12","0.01","783.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H36 I4 Ru2 -","- C27 H35 I4 Ru2 -","- C27 H35 I4 Ru2 -","1","0.5","SK1323","Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink","Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate","Acta Crystallographica Section C","1999","55","12","2030","2032","10.1107/S0108270199010410","","","0.71073","MoKα","","0.0426","0.0361","","","","0.1231","","","","","","1.294","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009349","10.1188","0.0004","11.5242","0.0004","15.7404","0.0005","92.957","0.002","97.931","0.002","105.392","0.002","1745.25","0.11","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Biphenol‒4,4'-bipyridyl (1/1)","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","2","SK1325","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Two independent <i>C</i>^2^~2~(20) chains in the hydrogen-bonded structure of 4,4'-biphenol‒4,4'-bipyridyl (1/1)","Acta Crystallographica Section C","1999","55","12","2133","2136","10.1107/S0108270199010434","","","0.71073","MoKα","","0.083","0.044","","","","0.115","","","","","","0.953","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009350","24.573","0.003","6.477","0.001","17.435","0.003","90","","128.72","0.01","90","","2165","0.6","125","","125","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-ethynyl-cyclohexylammonium acetate salt","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C80 H136 N8 O16 -","8","1","SK1330","Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan","1-Ethynylcyclohexylammonium acetate","Acta Crystallographica Section C","1999","55","12","2131","2132","10.1107/S0108270199012469","","","0.71073","MoKα","","0.0605","0.0485","","","","0.1236","","","","","","1.095","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009351","27.9391","0.0008","27.9391","0.0008","12.7565","0.0004","90","","90","","90","","9957.6","0.5","100","1","100","1","","","","","","","","4","P -4","P -4","81","","2,2'-Biphenol—diazabicyclo[2.2.2]octane (2/1)","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C480 H512 N32 O64 -","16","4","SK1331","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","1999","55","12","2136","2140","10.1107/S0108270199011440","","","0.71073","MoKα","","0.1279","0.0572","","","","0.1619","","","","","","1.009","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009352","9.602","0.005","7.636","0.006","16.661","0.005","90","","92.16","0.03","90","","1220.7","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Argininium tris(acetato-O,O')dioxouranium(III)‒acetic acid‒water (1/1/1)","","- C14 H30 N4 O13 U -","- C14 H30 N4 O13 U -","- C28 H60 N8 O26 U2 -","2","1","SK1332","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","<small>L</small>-Argininium tris(acetato-<i>O</i>,<i>O</i>')dioxouranium(III)‒acetic acid‒water (1/1/1)","Acta Crystallographica Section C","1999","55","12","2039","2041","10.1107/S0108270199011907","","","0.71073","MoKα","","0.027","0.017","","","","0.043","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2009353","8.5705","0.0017","13.657","0.003","14.895","0.003","84.26","0.03","81.95","0.03","87.11","0.03","1716.4","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","Alprozolam dihydrate","8-chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate","","- C17 H17 Cl N4 O2 -","- C17 H14.75 Cl N4 O2 -","- C68 H59 Cl4 N16 O8 -","4","4","SX1085","Daniel R. Vega; Ricardo Baggio; Silvia Russi","8-Chloro-1-methyl-6-phenyl-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine dihydrate","Acta Crystallographica Section C","1999","55","12","2094","2096","10.1107/S0108270199010446","","","0.71073","MoKα","","0.074","0.043","","","","0.133","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009354","11.2528","0.0016","25.346","0.002","13.0637","0.0015","90","","106.117","0.009","90","","3579.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tris(1,10-phenanthroline)nickel(II) nitrate thiourea solvate","","- C37 H30 N10 Ni O7 S -","- C37 H30 N10 Ni O7 S -","- C148 H120 N40 Ni4 O28 S4 -","4","0.5","SX1088","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.","Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate","Acta Crystallographica Section C","1999","55","12","1991","1993","10.1107/S0108270199011312","","","0.71069","MoKα","","0.0504","0.0395","","","","0.1162","","","","","","1.028","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009355","8.7543","0.0011","9.9307","0.0015","7.314","0.0016","108.537","0.014","106.347","0.014","85.225","0.012","578.48","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Di-μ-chloro(bis(2-pyridyl) ketone)copper(II)","","- C11 H8 Cl2 Cu N2 O -","- C11 H8 Cl2 Cu N2 O -","- C22 H16 Cl4 Cu2 N4 O2 -","2","1","SX1092","Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; Suescun, Leopoldo; Kremer, Eduardo; González, Ricardo","<i>catena</i>-Poly[[[bis(2-pyridyl) ketone-<i>N</i>,<i>N</i>']copper(II)]-di-μ-chloro]","Acta Crystallographica Section C","1999","55","12","1989","1991","10.1107/S0108270199011750","","","0.71069","MoKα","","0.038","0.032","","","","0.096","","","","","","1.035","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009356","9.719","0.003","11.682","0.003","8.7504","0.0013","92.932","0.014","90.434","0.017","85.99","0.02","989.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","cis-dichloro(1,10-phenanthroline)tiourea-acuo-cobalt(II):tiourea","","- C14 H18 Cl2 Co N6 O S2 -","- C14 H18 Cl2 Co N6 O S2 -","- C28 H36 Cl4 Co2 N12 O2 S4 -","2","1","SX1094","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.","[Co(phen)(thiourea)(H~2~ O)Cl~2~]^.^thiourea (phen is 1,10-phenanthroline)","Acta Crystallographica Section C","1999","55","12","2065","2068","10.1107/S0108270199011993","","","0.7107","MoKα","","0.0642","0.0409","","","","0.1223","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009357","43.749","0.01","20.984","0.002","4.598","0.001","90","","90","","90","","4221.1","1.4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-pyridylcarboxaldehyde isonicotinoyl hydrazone","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C192 H160 N64 O16 -","16","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.108","0.05","","","","0.122","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009358","7.1468","0.0006","11.994","0.007","29.493","0.005","90","","90","","90","","2528.1","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-pyridinecarboxaldehyde benzoyl hydrazone hydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.058","0.034","","","","0.127","","","","","","1.059","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009359","14.188","0.003","5.285","0.0003","26.954","0.006","90","","93.55","0.01","90","","2017.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-furfuryl isonicotinoyl hydrazone","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C88 H72 N24 O16 -","8","2","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.18","0.047","","","","0.143","","","","","","0.971","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2019330","19.8165","0.0002","11.4468","0.0001","9.9208","0.0001","90","","109.185","0.0005","90","","2125.41","0.04","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","barium titanate","","- Ba4 O27 Ti12 -","- Ba4 O27 Ti12 -","- Ba16 O108 Ti48 -","4","0.5","","Currao, A.","Ba4Ti12O27: Rietveld refinement using X-ray powder diffraction data","Acta Crystallographica Section C Crystal Structure Communications","1999","55","1","2","","10.1107/S0108270198010919","","","1.54056","CuKα~1~","","","","","","","","","","1.541","1.541","1.541","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020372","12.889","","25.096","","16.189","","90","","94.812","","90","","5218.08","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na6 H4 (Bi2 Ni1.62 W20.38 O70 (H2 O)6) (H2 O)36","","- Bi2 H88 Na6 Ni1.62 O112 W20.38 -","- Bi2 Na5.998 Ni1.62 O112 W20.38 -","- Bi4 Na11.996 Ni3.24 O224 W40.76 -","2","0.5","","Rosu, C.; Weakley, T.J.R.","Hexasodium tetrahydrogen (di(triaquanickelo)icosatungstodibismuthate(III)(10-)) 36-hydrate, Na6 H4 (Bi2 Ni2 W20 O70 (H2 O)6) . 36(H2 O)","Acta Crystallographica C (39,1983-)","1999","55","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2021871","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(dipropylthiocarbamoyl)disulfide","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Jian, F.; Jiang, L.; Fun, H.-K.; Chinnakali, K.; Razak, I. A.; You, X.","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C Crystal Structure Communications","1999","55","4","573","","10.1107/S010827019801573X","","","0.71073","MoKα","","0.078","0.051","","","","0.143","","","","","","1.06","","","","has coordinates","246031","2020-10-21","18:00:00",""
"2021872","8.4341","0.0001","15.5112","0.0003","11.4293","0.0001","90","","90.397","0.001","90","","1495.18","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Li, S.; Lundquist, K.; Stomberg, R.","An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy","Acta Crystallographica Section C Crystal Structure Communications","1999","55","6","1012","","10.1107/S0108270199000670","","","0.71073","MoKα","","0.057","0.043","","","","0.127","","","","","","1.053","","","","has coordinates","246032","2020-10-21","18:00:00",""
"2021873","9.198","0.001","10.559","0.001","10.593","0.001","68.94","0.01","79.01","0.01","67.41","0.01","884.78","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Diisopropylammonium-Diphenylmethylnitronate","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C38 H52 N4 O4 -","2","1","","Sievert, M.; Nagel, N.; Bock, H.; Dienelt, R.","Diisopropylammonium diphenylmethylnitronate at 200K","Acta Crystallographica Section C Crystal Structure Communications","1999","55","7","1147","","10.1107/S0108270199003054","","","0.71073","MoKα","","0.0767","0.0448","","0.1142","0.0965","","","","1.022","1.068","1.068","","","","","has coordinates","246033","2020-10-21","18:00:00",""