# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T07:33:22+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 Section C') AND volume = 68 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
"2018339","7.2557","0.0003","8.4285","0.0004","11.0412","0.0006","90","","90","","90","","675.22","0.06","200","","200","","","","","","","","","4","P b c n","-P 2n 2ab","60","Magnesium chloride tetrahydrate","Magnesium chloride tetrahydrate","","- Cl2 H8 Mg O4 -","- Cl2 H8 Mg O4 -","- Cl8 H32 Mg4 O16 -","4","0.5","BI3028","Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang","Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O","Acta Crystallographica Section C","2012","68","1","i4","i6","10.1107/S0108270111054709","","","0.71073","MoKα","","0.0197","0.0158","","","0.0501","0.0508","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018340","15.3566","0.001","14.1309","0.0007","14.0768","0.0006","77.771","0.004","123.88","0.003","86.465","0.001","2416.9","0.3","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","<i>cyclo</i>-tetrakis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato- κ^2^<i>S</i>:<i>S</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","","- C100 H76 Ag4 N4 O8 P4 S8 -","- C100 H76 Ag4 N4 O8 P4 S8 -","- C100 H76 Ag4 N4 O8 P4 S8 -","1","0.5","BI3030","Dennehy, Mariana; Freire, Eleonora; Baggio, Ricardo","A triclinic polymorph of <i>cyclo</i>-tetra-μ-thiosaccharinato-κ^8^<i>S</i>:<i>S</i>-tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","Acta Crystallographica Section C","2012","68","1","m17","m20","10.1107/S0108270111053674","","","0.71073","MoKα","","0.1311","0.0553","","","0.0881","0.1117","","","","","","0.935","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018341","29.236","0.006","5.7289","0.0011","28.417","0.006","90","","112.82","0.03","90","","4387","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'- tetrakis(4-iodobenzoato-κ^2^<i>O</i>,<i>O</i>')dicadmium]","","- C20 H15 Cd I2 N O5 -","- C20 H15 Cd I2 N O5 -","- C160 H120 Cd8 I16 N8 O40 -","8","1","DT3009","Liu, Dong; Li, Ni-Ya","Poly[di-μ-aqua-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'-tetrakis(4-iodobenzoato-κ^2^<i>O</i>,<i>O</i>')dicadmium]","Acta Crystallographica Section C","2012","68","1","m21","m23","10.1107/S0108270111053182","","","0.71073","MoKα","","0.0539","0.0398","","","0.0836","0.0886","","","","","","0.912","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018342","11.674","0.002","33.336","0.006","11.816","0.002","90","","91.479","0.003","90","","4596.8","1.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl","","- C66 H46 -","- C66 H46 -","- C264 H184 -","4","1","EG3079","Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","2012","68","1","o23","o27","10.1107/S0108270111051900","","","0.71073","MoKα","","0.0701","0.0432","","","0.0949","0.1065","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018343","19.7494","0.0009","6.1217","0.0003","20.4762","0.001","90","","109.754","0.002","90","","2329.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","","- C66 H42 F4 -","- C66 H42 F4 -","- C132 H84 F8 -","2","0.5","EG3079","Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.","2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","2012","68","1","o23","o27","10.1107/S0108270111051900","","","0.71073","MoKα","","0.0454","0.0394","","","0.1064","0.1121","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018344","10.0449","0.0002","7.5527","0.0001","24.3945","0.0005","90","","97.538","0.001","90","","1834.72","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-(furan-2-carbonyl)thiourea","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","FA3263","Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; O'Reilly, Beatriz; Andrade, Marcelo B.","Probing the relationships between molecular conformation and intermolecular contacts in <i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-(furan-2-carbonyl)thiourea","Acta Crystallographica Section C","2012","68","1","o19","o22","10.1107/S0108270111052620","","","0.71073","MoKα","","0.0817","0.045","","","","0.1238","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018345","8.0466","0.0001","13.815","0.0002","15.3621","0.0002","87.739","0.001","89.48","0.001","79.033","0.001","1675.21","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-1κ<i>N</i>)[μ-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 1:2κ^2^<i>S</i>:<i>S</i>][1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 2κ<i>S</i>]bis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato)- 1:2κ^2^<i>S</i>^3^:<i>N</i>;1:2κ^2^<i>S</i>^3^:<i>S</i>^3^- dicopper(I)(<i>Cu</i>—<i>Cu</i>)","","- C30 H23 Cu2 N7 O4 S6 -","- C30 H23 Cu2 N7 O4 S6 -","- C60 H46 Cu4 N14 O8 S12 -","2","1","FN3087","Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.","The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate","Acta Crystallographica Section C","2012","68","1","m12","m16","10.1107/S0108270111052036","","","0.71073","MoKα","","0.0622","0.0362","","","0.1136","0.1183","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018346","13.2395","0.0012","10.2731","0.001","29.536","0.015","90","","93.135","0.016","90","","4011","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione- 1:2κ^2^<i>S</i>:<i>S</i>]bis[1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione]- 1κ<i>S</i>;2κ<i>S</i>-bis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato)- 1:2κ^2^<i>S</i>^3^:<i>N</i>;1:2κ^2^<i>S</i>^3^:<i>S</i>^3^- dicopper(I)(<i>Cu</i>—<i>Cu</i>)","","- C35 H26 Cu2 N8 O4 S7 -","- C35 H26 Cu2 N8 O4 S7 -","- C140 H104 Cu8 N32 O16 S28 -","4","1","FN3087","Dennehy, Mariana; Quinzani, Oscar V.; Faccio, Ricardo; Freire, Eleonora; Mombrú, Álvaro W.","The conformations of two copper(I) complexes of 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione and thiosaccharinate","Acta Crystallographica Section C","2012","68","1","m12","m16","10.1107/S0108270111052036","","","0.71073","MoKα","","0.1385","0.0672","","","0.1249","0.1537","","","","","","1.01","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018347","11.6031","0.0003","12.6132","0.0003","24.5118","0.0006","87.706","0.002","82.025","0.002","76.356","0.002","3452.31","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-tetraphenylporphyrin-21,23-diium dichloride chloroform octasolvate","","- C52 H40 Cl26 N4 -","- C52.002 H40.002 Cl26.006 N4 -","- C104.004 H80.004 Cl52.012 N8 -","2","1","FN3092","Aparici Plaza, Luis; Chojnacki, Jaroslaw","Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts","Acta Crystallographica Section C","2012","68","1","m24","m28","10.1107/S0108270111054102","","","0.71073","MoKα","","0.122","0.095","","","0.2435","0.2605","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018348","14.5813","0.0012","8.6068","0.0005","14.6191","0.0011","90","","118.56","0.01","90","","1611.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5,10,15,20-tetraphenylporphyrinato)copper(II)","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C88 H56 Cu2 N8 -","2","0.5","FN3092","Aparici Plaza, Luis; Chojnacki, Jaroslaw","Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts","Acta Crystallographica Section C","2012","68","1","m24","m28","10.1107/S0108270111054102","","","0.71073","MoKα","","0.0729","0.052","","","0.1376","0.1474","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018349","5.886","0.0001","11.2117","0.0003","17.0754","0.0004","90","","95.945","0.0015","90","","1120.78","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[μ~3~-succinato-calcium(II)]","","- C4 H4 Ca O4 -","- C4 H4 Ca O4 -","- C32 H32 Ca8 O32 -","8","2","KU3053","Mazaj, Matjaz; Kaucic, Venceslav; Golobic, Amalija; Zabukovec Logar, Natasa","A new layered Ca‒succinate coordination polymer","Acta Crystallographica Section C","2012","68","1","m4","m6","10.1107/S0108270111051559","","","0.71073","MoKα","","0.0446","0.0348","","","0.0996","0.1086","","","","","","0.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018350","5.3702","0.0001","27.9903","0.0004","8.8811","0.0001","90","","90","","90","","1334.95","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","lead(II) dicalcium octaaluminate","","- Al8 Ca2 O15 Pb -","- Al8 Ca2 O15 Pb -","- Al32 Ca8 O60 Pb4 -","4","0.5","LG3070","Artner, Christine; Weil, Matthias","PbCa~2~[Al~8~O~15~] with a novel three-dimensional aluminate anion","Acta Crystallographica Section C","2012","68","1","i1","i3","10.1107/S0108270111054679","","","0.71073","MoKα","","0.0289","0.0242","","","0.0582","0.0597","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018351","9.251","0.003","6.7748","0.0017","13.256","0.004","90","","93.196","0.008","90","","829.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0822","0.0507","","","0.1211","0.1333","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018352","9.0551","0.0019","6.7287","0.0014","13.12","0.003","90","","92.6","0.002","90","","798.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0715","0.0651","","","0.1725","0.1801","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018353","9.0551","0.0019","6.7287","0.0014","13.12","0.003","90","","92.6","0.002","90","","798.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","naphtholactam","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one","","- C11 H7 N O -","- C11 H7 N O -","- C44 H28 N4 O4 -","4","1","QS3004","Khan, Saeed I.; Knobler, Carolyn B.; Maverick, Emily F.","Benz[<i>cd</i>]indol-2(1<i>H</i>)-one at 298 and 100K","Acta Crystallographica Section C","2012","68","1","o1","o6","10.1107/S0108270111050281","","","0.71073","MoKα","","0.0635","0.058","","","0.1578","0.164","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018354","6.6765","0.0003","10.9615","0.0005","14.1513","0.0007","102.309","0.001","95.097","0.001","91.581","0.001","1006.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine- 2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate","","- C28 H38.68 Mn4 N4 O33.34 -","- C28 H38.676 Mn4 N4 O33.338 -","- C28 H38.676 Mn4 N4 O33.338 -","1","0.5","QS3009","Mirzaei, M.; Lippolis, V.; Eshtiagh-Hosseini, H.; Mahjoobizadeh, M.","Decaaquabis(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)bis(4-hydroxypyridine-2,6-dicarboxylato)tetramanganese(II) 3.34-hydrate: a new three-dimensional open metal‒organic framework based on a tetranuclear Mn^II^ complex of chelidamic acid and undecameric stitching water clusters","Acta Crystallographica Section C","2012","68","1","m7","m11","10.1107/S0108270111050293","","","0.71073","MoKα","","0.046","0.0355","","","0.0893","0.0955","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018355","10.6655","0.0002","12.6641","0.0002","19.5145","0.0004","90","","90","","90","","2635.8","0.08","160","1","160","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","","- C27 H36 Au Cl N2 -","- C27 H36 Au Cl N2 -","- C108 H144 Au4 Cl4 N8 -","4","0.5","SK3424","Linden, Anthony; de Haro, Teresa; Nevado, Cristina","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)","Acta Crystallographica Section C","2012","68","1","m1","m3","10.1107/S0108270111051365","","","0.71073","MoKα","","0.0474","0.0241","","","0.0427","0.0504","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018356","7.5935","0.0006","10.8712","0.0009","12.8862","0.0012","95.794","0.007","100.349","0.007","92.125","0.007","1039.45","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tizanidine","5-chloro-<i>N</i>-(imidazolidin-2-ylidene)-2,1,3-benzothiadiazol-4-amine","","- C9 H8 Cl N5 S -","- C9 H8 Cl N5 S -","- C36 H32 Cl4 N20 S4 -","4","2","SK3425","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael","Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine","Acta Crystallographica Section C","2012","68","1","o28","o32","10.1107/S0108270111052012","","","0.71073","MoKα","","0.0321","0.0285","","","0.0745","0.0762","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018357","8.5321","0.0007","14.0679","0.0009","10.1266","0.0008","90","","105.856","0.006","90","","1169.24","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tizanidine hydrochloride","2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]imidazolidinium chloride","","- C9 H9 Cl2 N5 S -","- C9 H9 Cl2 N5 S -","- C36 H36 Cl8 N20 S4 -","4","1","SK3425","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.; Bolte, Michael","Tizanidine and tizanidine hydrochloride: on the correct tautomeric form of tizanidine","Acta Crystallographica Section C","2012","68","1","o28","o32","10.1107/S0108270111052012","","","0.71073","MoKα","","0.046","0.0323","","","0.0759","0.0801","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018358","13.7878","0.0014","22.892","0.002","4.6367","0.0005","90","","90","","90","","1463.5","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","1","TP3005","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Disorder and conformational analysis of methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section C","2012","68","1","o7","o11","10.1107/S0108270111048347","","","1.2399","synchrotron","","0.0813","0.0671","","","0.1536","0.1583","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018359","16.784","0.003","9.638","0.0008","21.699","0.004","90","","108.82","0.012","90","","3322.5","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Chloro-3-methyl-1,4-diphenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H14 Cl N3 O -","- C20 H14 Cl N3 O -","- C160 H112 Cl8 N24 O8 -","8","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.065","0.0404","","","0.0875","0.0997","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018360","8.2898","0.0008","9.9191","0.0014","10.3666","0.001","87.108","0.011","86.808","0.008","85.088","0.012","847.08","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-3-methyl-4-(4-methylphenyl)-1-phenyl- pyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C21 H16 Cl N3 O -","- C21 H16 Cl N3 O -","- C42 H32 Cl2 N6 O2 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0977","0.0502","","","0.1077","0.1297","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018361","20.868","0.003","9.603","0.004","16.924","0.009","90","","90","","90","","3391","2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","6-Chloro-4-(4-chlorophenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Cl2 N3 O -","- C20 H13 Cl2 N3 O -","- C160 H104 Cl16 N24 O8 -","8","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.1057","0.0526","","","0.1187","0.1468","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018362","9.3826","0.0011","9.7781","0.0012","10.1072","0.0006","108.077","0.01","99.353","0.009","90.911","0.01","867.61","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-(4-bromophenyl)-6-chloro-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Br Cl N3 O -","- C20 H13 Br Cl N3 O -","- C40 H26 Br2 Cl2 N6 O2 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0579","0.036","","","0.0701","0.0774","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018363","8.6972","0.0008","10.039","0.002","10.09","0.002","85.23","0.02","80.856","0.016","86.665","0.016","865.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-4-(4-methoxyphenyl)-3-methyl-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C42 H32 Cl2 N6 O4 -","2","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0504","0.0363","","","0.083","0.0901","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018364","11.7839","0.0013","9.989","0.0004","15.71","0.02","90","","106.084","0.008","90","","1777","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-3-methyl-4-(4-nitrophenyl)-1- phenylpyrazolo[3,4-<i>b</i>]pyridine-5-carbaldehyde","","- C20 H13 Cl N4 O3 -","- C20 H13 Cl N4 O3 -","- C80 H52 Cl4 N16 O12 -","4","1","YF3009","Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure","Acta Crystallographica Section C","2012","68","1","o12","o18","10.1107/S0108270111050207","","","0.71073","MoKα","","0.0787","0.048","","","0.1144","0.1339","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018365","7.3047","0.0006","8.466","0.0007","11.7559","0.001","95.747","0.001","103.926","0.001","107.716","0.001","660.25","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","bis(2-ethyl-6-methyl-3-hydroxypyridinium) butanedioate‒butanedioic acid (1/1)","bis(2-ethyl-6-methyl-3-hydroxypyridinium) succinate‒succinic acid (1/1)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","YF3010","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.","Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol","Acta Crystallographica Section C","2012","68","1","o33","o36","10.1107/S0108270111054692","","","0.71073","MoKα","","0.0556","0.0452","","","0.1191","0.1283","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018366","11.4951","0.0002","12.4787","0.0002","9.1986","0.0001","90","","93.886","0.001","90","","1316.45","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ethyl-6-methyl-3-hydroxypyridinium hydrogen succinate","2-ethyl-6-methyl-3-hydroxypyridinium 3-carboxypropionate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","YF3010","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Trukhachova, Tatjana V.","Two succinic acid derivatives of 2-ethyl-6-methylpyridin-3-ol","Acta Crystallographica Section C","2012","68","1","o33","o36","10.1107/S0108270111054692","","","0.71073","MoKα","","0.0569","0.0469","","","0.1298","0.1405","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018367","7.3434","0.0002","7.9884","0.0002","12.7593","0.0004","96.497","0.002","92.783","0.002","101.303","0.001","727.33","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrazinium salicylate, salicylic acid adduct","hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1)","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","BI3027","Arunadevi, N.; Devipriya, S.; Vairam, S.","The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","Acta Crystallographica Section C","2012","68","2","o61","o64","10.1107/S0108270111054722","","","0.71073","MoKα","","0.0604","0.0414","","","0.1083","0.1231","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018368","7.376","0.005","7.915","0.005","16.778","0.005","89.248","0.005","86.963","0.005","100.609","0.005","961.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrazinium 3-hydroxy-2-naphthoate-3-hydroxy-2-naphthoic acid","hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","BI3027","Arunadevi, N.; Devipriya, S.; Vairam, S.","The acid adducts hydrazinium 2-hydroxybenzoate‒2-hydroxybenzoic acid (1/1) and hydrazinium 3-hydroxy-2-naphthoate‒3-hydroxy-2-naphthoic acid (1/1)","Acta Crystallographica Section C","2012","68","2","o61","o64","10.1107/S0108270111054722","","","0.71073","MoKα","","0.0498","0.0373","","","0.105","0.1166","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018369","14.4531","0.0004","34.6885","0.0008","8.7114","0.0002","90","","90","","90","","4367.52","0.19","300","","298","","","","","","","","","4","P 21 21 2","P 2 2ab","18","clarithromycin","(3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>,11<i>S</i>, 12<i>R</i>,13<i>S</i>,14<i>S</i>)-6-{[(2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)- 4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-hydroxy-4-methoxy-4,6- dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","CU3008","Noguchi, Shuji; Miura, Keiko; Fujiki, Sadahiro; Iwao, Yasunori; Itai, Shigeru","Clarithromycin form I determined by synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2012","68","2","o41","o44","10.1107/S0108270111054230","powder diffraction","","1.3","synchrotron","","0.04213","","","","","","","","3.703","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018370","9.2884","0.0003","11.4181","0.0003","4.9018","0.0001","90","","90.597","0.002","90","","519.84","0.02","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","lithium iron tungstate","","- Fe Li O8 W2 -","- Fe Li O8 W2 -","- Fe4 Li4 O32 W8 -","4","0.5","FA3264","Albino, Marjorie; Pechev, Stanislav; Veber, Philippe; Velazquez, Matias; Josse, Michael","Cation ordering in the double tungstate LiFe(WO~4~)~2~","Acta Crystallographica Section C","2012","68","2","i7","i8","10.1107/S0108270111053832","","","0.71073","MoKα","","","0.0177","","","","0.0413","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018371","7.6075","0.0003","10.1342","0.0007","11.9062","0.0006","73.805","0.005","81.35","0.004","75.891","0.005","851.55","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Fe N2 O3 -","- C19 H18 Fe N2 O3 -","- C38 H36 Fe2 N4 O6 -","2","1","FA3265","Stevanović, Dragana; Pejović, Anka; Novaković, Sladjana B.; Bogdanović, Goran A.; Divjaković, Vladimir; Vukićević, Rastko D.","A new polymorph of 1-ferrocenyl-3-(3-nitroanilino)propan-1-one","Acta Crystallographica Section C","2012","68","2","m37","m40","10.1107/S0108270112000765","","","0.71073","MoKα","","0.0562","0.0418","","","0.0831","0.0911","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018372","12.296","0.002","13.054","0.003","12.308","0.003","90","","101.33","0.01","90","","1937.1","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato- κ^3^<i>O</i>:<i>O</i>':<i>O</i>''][μ~2~-(pyridin-1-ium-3,5- diyl)diphosphonato-κ^2^<i>O</i>:<i>O</i>']calcium(II)]","","- C10 H14 Ca N2 O13 P4 -","- C10 H14 Ca N2 O13 P4 -","- C40 H56 Ca4 N8 O52 P16 -","4","1","GG3267","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","Poly[aqua[μ~3~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''][μ~2~-(pyridin-1-ium-3,5-diyl)diphosphonato-κ^2^<i>O</i>:<i>O</i>']calcium(II)]","Acta Crystallographica Section C","2012","68","2","m41","m44","10.1107/S0108270112001461","","","0.71073","MoKα","","0.1133","0.0442","","","0.0548","0.0631","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018373","9.7979","0.0007","10.0424","0.0008","36.052","0.003","90","","90","","90","","3547.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-phenylacetato- κ^2^<i>O</i>:<i>O</i>'] phenylacetate]","","- C16 H22 Mg O8 -","- C16 H22 Mg O8 -","- C128 H176 Mg8 O64 -","8","2","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.6884","synchrotron","","0.0506","0.037","","","0.088","0.0956","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018374","29.2249","0.001","6.6941","0.0003","17.8109","0.0005","90","","92.52","0.002","90","","3481.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[diaqua(phenylacetato-κ^2^<i>O</i>,<i>O</i>')calcium(II)]- μ~3~-phenylacetato-1':1:1''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'] monohydrate]","","- C16 H20 Ca O7 -","- C16 H20 Ca O7 -","- C128 H160 Ca8 O56 -","8","1","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.71073","MoKα","","0.0897","0.0422","","","0.0858","0.1027","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018375","29.5111","0.0015","6.856","0.0005","17.7229","0.0011","90","","93.453","0.003","90","","3579.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[diaqua(phenylacetato- κ^2^<i>O</i>,<i>O</i>')strontium(II)]- μ~3~-phenylacetato-1':1:1''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'] monohydrate]","","- C16 H20 O7 Sr -","- C16 H20 O7 Sr -","- C128 H160 O56 Sr8 -","8","1","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.71073","MoKα","","0.0421","0.0265","","","0.0587","0.0652","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018376","10.6277","0.0012","7.4514","0.0008","28.293","0.003","90","","95.603","0.009","90","","2229.9","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)imidazolidin-3-ium iodide salt","","- C24 H29 Fe I N2 -","- C24 H29 Fe I N2 -","- C96 H116 Fe4 I4 N8 -","4","2","KY3008","Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir","1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)","Acta Crystallographica Section C","2012","68","2","m48","m52","10.1107/S0108270112000601","","","0.71073","MoKα","","0.0544","0.0362","","","0.0592","0.0635","","","","","","0.844","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018377","9.5185","0.0016","11.7851","0.0017","17.569","0.002","90","","92.835","0.012","90","","1968.4","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin- 2-ylidene)diiodidopalladium(II)","","- C42 H44 Fe2 I2 N4 Pd -","- C42 H44 Fe2 I2 N4 Pd -","- C84 H88 Fe4 I4 N8 Pd2 -","2","0.5","KY3008","Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir","1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II)","Acta Crystallographica Section C","2012","68","2","m48","m52","10.1107/S0108270112000601","","","0.71073","MoKα","","0.1036","0.0459","","","0.0774","0.0905","","","","","","0.847","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018378","8.804","0.0003","10.422","0.0004","14.089","0.0006","86.418","0.002","75.889","0.0019","83.016","0.002","1243.71","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","anilinium dihydrogen phosphate","","- C6 H10 N O4 P -","- C6 H10 N O4 P -","- C36 H60 N6 O24 P6 -","6","3","LG3072","Kaman, Ondřej; Smrčok, Ľubomír; Gyepes, Róbert; Havlíček, David","Anilinium dihydrogen phosphate","Acta Crystallographica Section C","2012","68","2","o57","o60","10.1107/S0108270111054874","","","0.71073","MoKα","","0.1119","0.0508","","","0.1172","0.1441","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018379","5.9679","0.0003","9.0041","0.0006","23.1424","0.0015","90","","91.63","0.01","90","","1243.07","0.13","185.15","","185.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","chloroform‒dimethyl sulfoxide (2/1)","dimethyl sulfoxide‒trichloromethane (1/2)","","- C4 H8 Cl6 O S -","- C4 H8 Cl6 O S -","- C16 H32 Cl24 O4 S4 -","4","1","LG3074","Yufit, Dmitry S.; Howard, Judith A. K.","Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane","Acta Crystallographica Section C","2012","68","2","o37","o40","10.1107/S0108270111056265","","","0.71073","MoKα","","0.0284","0.0223","","","0.0521","0.0555","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018380","6.68","0.0012","7.7862","0.0013","8.0017","0.0015","78.019","0.01","80.008","0.01","65.665","0.01","369.13","0.12","167","","167","","","","","","","","","5","P -1","-P 1","2","dichloromethane‒dimethyl sulfoxide (1/1)","dichloromethane‒dimethyl sulfoxide (1/1)","","- C3 H8 Cl2 O S -","- C3 H8 Cl2 O S -","- C6 H16 Cl4 O2 S2 -","2","1","LG3074","Yufit, Dmitry S.; Howard, Judith A. K.","Molecular complexes of dimethyl sulfoxide with tri- and dichloromethane","Acta Crystallographica Section C","2012","68","2","o37","o40","10.1107/S0108270111056265","","","0.71073","MoKα","","0.055","0.0398","","","0.1036","0.113","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018381","10.412","0.002","11.994","0.003","7.1077","0.0017","90","","90.743","0.004","90","","887.5","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Pyridone‒terephthalic acid‒water (2/1/2)","","- C18 H20 N2 O8 -","- C18 H20 N2 O8 -","- C36 H40 N4 O16 -","2","0.5","MX3062","Staun, Selena L.; Oliver, Allen G.","4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate","Acta Crystallographica Section C","2012","68","2","o84","o87","10.1107/S0108270111055260","","","0.71073","MoKα","","0.0754","0.0463","","","0.0916","0.1037","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018382","4.9245","0.0004","15.7128","0.0014","10.3256","0.0009","90","","98.386","0.005","90","","790.43","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(3-hydroxypyridinium) terephthalate","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C36 H32 N4 O12 -","2","0.5","MX3062","Staun, Selena L.; Oliver, Allen G.","4-Pyridone‒terephthalic acid‒water (2/1/2) and bis(3-hydroxypyridinium) terephthalate","Acta Crystallographica Section C","2012","68","2","o84","o87","10.1107/S0108270111055260","","","0.71073","MoKα","","0.0401","0.0343","","","0.0894","0.0943","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018383","10.022","0.002","22.316","0.005","10.316","0.002","90","","116.51","0.03","90","","2064.6","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium]","","- C23 H22 Cd N2 O4 -","- C23 H22 Cd N2 O4 -","- C92 H88 Cd4 N8 O16 -","4","1","QS3010","Liu, Dong","Poly[[μ~2~-1,3-bis(pyridin-4-yl)propane](μ~3~-1,4-phenylenediacetato)cadmium]","Acta Crystallographica Section C","2012","68","2","m34","m36","10.1107/S0108270111055454","","","0.71073","MoKα","","0.068","0.0469","","","0.0909","0.0992","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018384","7.4673","0.0004","10.4338","0.0005","12.9911","0.0006","86.215","0.004","79.611","0.004","78.588","0.004","975.41","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","phenyl bis(2-chlorobenzylamido)phosphinate","","- C20 H19 Cl2 N2 O2 P -","- C20 H19 Cl2 N2 O2 P -","- C40 H38 Cl4 N4 O4 P2 -","2","1","SF3159","Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh","The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group","Acta Crystallographica Section C","2012","68","2","o51","o56","10.1107/S0108270111052097","","","0.71073","MoKα","","0.0395","0.0286","","","0.0722","0.0741","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018385","4.886","0.0008","12.192","0.002","15.838","0.003","103.714","0.017","94.636","0.015","96.099","0.015","905.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(2-chlorobenzyl)-<i>N</i>''-(2,2,2- trifluoroacetyl)phosphoric triamide","","- C16 H15 Cl2 F3 N3 O2 P -","- C16 H15 Cl2 F3 N3 O2 P -","- C32 H30 Cl4 F6 N6 O4 P2 -","2","1","SF3159","Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh","The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group","Acta Crystallographica Section C","2012","68","2","o51","o56","10.1107/S0108270111052097","","","0.71073","MoKα","","0.0703","0.0375","","","0.075","0.0796","","","","","","0.81","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018386","7.027","0.002","20.776","0.005","8.949","0.002","90","","91.06","0.01","90","","1306.3","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","SF3160","Belandria, Lusbely M.; Mora, Asiloé J.; Delgado, Gerzon E.; Briceño, Alexander","4-Carboxypiperidinium 1-carboxycyclobutane-1-carboxylate","Acta Crystallographica Section C","2012","68","2","o88","o91","10.1107/S0108270111054977","","","0.71073","MoKα","","0.0658","0.0499","","","0.1256","0.1388","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018387","7.6148","0.0005","8.5592","0.0006","9.3406","0.0006","90","","90","","90","","608.79","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydantoin-5-acetic acid","2-(2,5-dioxoimidazolidin-4-yl)acetic acid","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0309","0.0247","","","0.0537","0.055","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018388","9.371","0.0006","5.9752","0.0003","17.8433","0.0013","90","","97.447","0.006","90","","990.68","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","orotic acid dimethyl sulfoxide monosolvate","2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid dimethyl sulfoxide monosolvate","","- C7 H10 N2 O5 S -","- C7 H10 N2 O5 S -","- C28 H40 N8 O20 S4 -","4","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0539","0.0321","","","0.0672","0.0715","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018389","8.111","0.001","8.9503","0.0011","11.6804","0.0015","112.366","0.003","97.263","0.002","104.621","0.002","734.94","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimethylammonium orotate‒orotic acid (1/1)","dimethylammonium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C24 H30 N10 O16 -","2","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.1418","0.0608","","","0.0859","0.1041","","","","","","0.86","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018390","7.0176","0.0014","18.026","0.004","12.906","0.003","90","","94.94","0.03","90","","1626.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","dimethylammonium orotate‒orotic acid (3/1)","tris(dimethylammonium) tris(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate) 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid","","- C26 H37 N11 O16 -","- C26 H37 N11 O16 -","- C52 H74 N22 O32 -","2","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0809","0.0649","","","0.1549","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018391","7.8761","0.0002","12.7102","0.0004","11.9438","0.0003","90","","98.189","0.003","90","","1183.46","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","eldoral","5-ethyl-5-(piperidin-1-yl)-1,3-diazinane-2,4,6-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0481","0.0442","","","0.1228","0.1258","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018392","11.9311","0.0003","15.9858","0.0004","13.0768","0.0003","90","","106.799","0.001","90","","2387.68","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","eldoral","5-ethyl-5-(piperidin-1-yl)-1,3-diazinane-2,4,6-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C88 H136 N24 O24 -","8","2","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","0.71073","MoKα","","0.0852","0.0634","","","0.1281","0.1395","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018393","11.827","0.0003","16.1719","0.0004","18.6774","0.0005","90","","90","","90","","3572.33","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethylammonium 5-ethyl-2,4,6-trioxo-5-(piperidin-1-yl)-1,3-diazinan-1-ide","","- C15 H28 N4 O3 -","- C15 H28 N4 O3 -","- C120 H224 N32 O24 -","8","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0379","0.0345","","","0.0937","0.0966","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018394","6.6567","0.0003","6.995","0.0003","16.2875","0.0007","90","","97.467","0.004","90","","751.97","0.06","119.8","","119.8","","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea hydrogen fluorophosphonate","2-carbamoylguanidinium hydrogen fluorophosphonate","","- C2 H8 F N4 O4 P -","- C2 H8 F N4 O4 P -","- C8 H32 F4 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0506","0.0491","","","0.1154","0.1165","","","","","","2.31","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018395","6.6648","0.0002","6.9435","0.0002","16.2924","0.0004","90","","97.185","0.003","90","","748.04","0.04","120","0.14","120","14","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)~0.76~ (hydrogen phosphite)~0.24~","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.76/0.24)","","- C2 H8.24 F0.76 N4 O4 P -","- C2 H8.24 F0.76 N4 O4 P -","- C8 H32.96 F3.04 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0508","0.0503","","","0.1137","0.1139","","","","","","2.96","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018396","6.67841","0.00016","6.78864","0.00013","16.2696","0.0004","90","","96.588","0.002","90","","732.75","0.03","119.9","0.2","119.9","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.115 (hydrogen phosphite)0.885","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.115/0.885)","","- C2 H8.885 F0.115 N4 O4 P -","- C2 H8.885 F0.115 N4 O4 P -","- C8 H35.54 F0.46 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0194","0.0191","","","0.0466","0.0468","","","","","","1.27","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018397","6.67722","0.00016","6.8083","0.0002","16.2809","0.0004","90","","96.644","0.002","90","","735.17","0.03","119.9","0.3","119.9","0.3","","","","","","","","6","C 1 c 1","C -2yc","9","guanylurea (hydrogen fluorophosphonate)0.184 (hydrogen phosphite)0.816","2-carbamoylguanidinium‒hydrogen fluorophosphonate‒hydrogen phosphite (1/0.184/0.816)","","- C2 H8.816 F0.184 N4 O4 P -","- C2 H8.816 F0.184 N4 O4 P -","- C8 H35.264 F0.736 N16 O16 P4 -","4","1","SK3422","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Mixed crystals of 2-carbamoylguanidinium with hydrogen fluorophosphonate and hydrogen phosphite in the ratios 1:0, 0.76(2):0.24(2) and 0.115(7):0.885(7)","Acta Crystallographica Section C","2012","68","2","o76","o83","10.1107/S0108270111054114","","","1.5418","CuKα","","0.0226","0.0225","","","0.0559","0.0561","","","","","","1.79","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018398","12.2788","0.0001","17.4866","0.0002","6.6851","0.0001","90","","90","","90","","1435.39","0.03","120","0.14","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C16 H72 F4 N32 O28 P4 -","4","0.5","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.0361","0.0335","","","0.0854","0.0862","","","","","","2.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018399","6.5362","0.0003","16.6485","0.0006","26.1629","0.0015","90","","90","","90","","2847","0.2","120","0.14","120","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C32 H144 F8 N64 O56 P8 -","8","1","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.1766","0.0698","","","0.1388","0.1928","","","","","","1.43","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018400","4.9308","0.0003","32.364","0.002","5.4922","0.0004","90","","93.654","0.001","90","","874.67","0.1","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","2-ammonio-5-chloro-4-methylbenzenesulfonate","","- C7 H8 Cl N O3 S -","- C7 H8 Cl N O3 S -","- C28 H32 Cl4 N4 O12 S4 -","4","1","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0448","0.0395","","","0.091","0.0932","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018401","9.1917","0.0017","6.9457","0.0011","11.8265","0.0013","90","","105.538","0.007","90","","727.4","0.2","165","2","165","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","2-ammonio-5-chloro-4-methylbenzenesulfonate 1-methyl-2-pyrrolidone monosolvate","","- C12 H17 Cl N2 O4 S -","- C12 H17 Cl N2 O4 S -","- C24 H34 Cl2 N4 O8 S2 -","2","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0486","0.0367","","","0.0927","0.1005","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018402","6.0394","0.0012","9.4441","0.0014","11.8044","0.0016","71.078","0.011","89.466","0.016","81.207","0.017","628.83","0.19","167","2","167","2","","","","","","","","6","P -1","-P 1","2","","2-ammonio-5-chloro-4-methylbenzenesulfonate dimethyl sulfoxide monosolvate","","- C9 H14 Cl N O4 S2 -","- C9 H14 Cl N O4 S2 -","- C18 H28 Cl2 N2 O8 S4 -","2","1","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0616","0.036","","","0.0762","0.0811","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018403","13.6306","0.0011","12.698","0.001","15.5907","0.0013","90","","90","","90","","2698.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","","- C24 H32 N6 O8 S2 -","- C24 H32 N6 O8 S2 -","- C96 H128 N24 O32 S8 -","4","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0533","0.0296","","","0.0624","0.0651","","","","","","0.871","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018404","7.6501","0.0009","8.9083","0.001","13.2509","0.0012","90","","123.086","0.005","90","","756.61","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido- κ^2^<i>C</i>,<i>N</i>)dicuprate(I)]]","","- C6 H12 Cu5 N10 -","- C6 H12 Cu5 N10 -","- C12 H24 Cu10 N20 -","2","0.5","WQ3010","Jia, Li-Na; Hou, Lei","Poly[tetraamminecopper(II) bis[tris(μ~2~-cyanido-κ^2^<i>C</i>,<i>N</i>)dicuprate(I)]]: a unique Cu^I^‒Cu^II^ mixed-valence complex containing anionic cuprous cyanide layers and [Cu(NH~3~)~4~]^2+^ cations","Acta Crystallographica Section C","2012","68","2","m45","m47","10.1107/S0108270112002429","","","0.71073","MoKα","","0.0386","0.0327","","","0.0882","0.0943","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018405","27.065","0.004","3.8825","0.0003","15.683","0.002","90","","103.59","0.01","90","","1601.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","pentalead octaindium dibismuth icosasulfide","","- Bi1.62 In8.38 Pb5 S20 -","- Bi1.622 In8.378 Pb5 S20 -","- Bi3.244 In16.756 Pb10 S40 -","2","0.5","BI3029","Reis, I.; Krämer, V.; Seiler, A.; Topa, D.; Keller, E.","Pb~5.0(1)~In~8.4(1)~Bi~1.6(1)~S~20~, a new quaternary lead indium bismuth sulfide","Acta Crystallographica Section C","2012","68","3","i12","i16","10.1107/S0108270112001011","","","0.71073","MoKα","","0.0407","0.0337","","","0.0849","0.0881","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018406","11.0737","0.0011","18.0705","0.0017","20.1156","0.0019","90","","90","","90","","4025.3","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5- diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","","- C17 H21 N3 O7 U -","- C17 H21 N3 O7 U -","- C136 H168 N24 O56 U8 -","8","1","BI3033","Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","Acta Crystallographica Section C","2012","68","3","m61","m63","10.1107/S0108270112003034","","","0.71073","MoKα","","0.0424","0.0271","","","0.0559","0.0614","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018407","16.6542","0.0016","12.2529","0.0012","13.141","0.0012","90","","101.577","0.009","90","","2627","0.4","169","2","169","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","loperamide hydrochloride anhydrate","1-[3-(dimethylcarbamoyl)-3,3-diphenylpropyl]-4-hydroxy- 4-(4-methylphenyl)piperidin-1-ium chloride","","- C29 H34 Cl2 N2 O2 -","- C29 H34 Cl2 N2 O2 -","- C116 H136 Cl8 N8 O8 -","4","1","BI3035","Brüning, Jürgen; Podgorski, Dragica; Alig, Edith; Bats, Jan W.; Schmidt, Martin U.","Antidiarrhetic loperamide hydrochloride","Acta Crystallographica Section C","2012","68","3","o111","o113","10.1107/S010827011200443X","","","0.71073","MoKα","","0.0645","0.0403","","","0.0871","0.0937","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018408","15.574","0.003","16.197","0.003","16.928","0.003","90","","109.21","0.03","90","","4032.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~- pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5- dicarboxylato)tetracadmium(II)] dihydrate]","","- C35 H26 Cd4 N10 O15 -","- C35 H26 Cd4 N10 O15 -","- C140 H104 Cd16 N40 O60 -","4","1","DT3011","Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang","A novel three-dimensional Cd^II^ coordination polymer: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~-pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]","Acta Crystallographica Section C","2012","68","3","m76","m79","10.1107/S0108270112005525","","","0.71073","MoKα","","0.0332","0.0296","","","0.107","0.1125","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018409","20.5281","0.0015","8.1474","0.0003","9.9637","0.0004","90","","90","","90","","1666.44","0.15","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","Trimethylurea","","- C4 H10 N2 O -","- C4 H10 N2 O -","- C48 H120 N24 O12 -","12","1.5","EG3085","Döring, Cindy; Taouss, Christina; Jones, Peter G.","Trimethylurea","Acta Crystallographica Section C","2012","68","3","o108","o110","10.1107/S0108270112005495","","","0.71073","MoKα","","0.0325","0.0312","","","0.0864","0.0874","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018410","17.3662","0.0008","17.3662","0.0008","11.4425","0.001","90","","90","","120","","2988.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","poly[ammine-μ~3~-malonato-cadmium(II)]","","- C3 H5 Cd N O4 -","- C3 H5 Cd N O4 -","- C54 H90 Cd18 N18 O72 -","18","1","FA3269","Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di","A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)]","Acta Crystallographica Section C","2012","68","3","m57","m60","10.1107/S0108270112003277","","","0.71073","MoKα","","0.0146","0.0139","","","0.0349","0.0354","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018411","8.214","0.0009","11.0624","0.0012","12.1981","0.0013","94.242","0.013","108.319","0.013","102.609","0.013","1014.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole","","- C11 H18 N2 -","- C11 H18 N2 -","- C44 H72 N8 -","4","2","FG3241","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","Acta Crystallographica Section C","2012","68","3","o119","o122","10.1107/S0108270112007603","","","0.71073","MoKα","","0.0757","0.0414","","","0.0927","0.1002","","","","","","0.85","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018412","7.0746","0.0006","8.1309","0.0007","11.125","0.0009","89.325","0.007","88.878","0.007","68.222","0.006","594.15","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","","- C13 H20 N2 O -","- C13 H20 N2 O -","- C26 H40 N4 O2 -","2","1","FG3241","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1<i>H</i>-pyrrole and its amide derivative 1-{2-[2-(1<i>H</i>-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone","Acta Crystallographica Section C","2012","68","3","o119","o122","10.1107/S0108270112007603","","","0.71073","MoKα","","0.0801","0.0619","","","0.1423","0.1518","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018413","15.53","0.002","11.2539","0.0017","26.375","0.003","90","","100.024","0.009","90","","4539.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20- tris(pentafluorophenyl)porphyrin","","- C48 H20 F19 N4 O3 P -","- C48 H20 F19 N4 O3 P -","- C192 H80 F76 N16 O12 P4 -","4","1","GG3269","Pereira, Carla F.; Fernandes, José A.; Rodrigues, João M. M.; Vilela, Sérgio M. F.; Tomé, João P. C.; Almeida Paz, Filipe A.","5-[4-(Diethoxyphosphoryl)-2,3,5,6-tetrafluorophenyl]-10,15,20-tris(pentafluorophenyl)porphyrin","Acta Crystallographica Section C","2012","68","3","o104","o107","10.1107/S0108270112002934","","","0.71073","MoKα","","0.1976","0.0844","","","0.1996","0.2714","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018414","7.5686","0.0001","8.2944","0.0002","26.425","0.0007","90","","93.944","0.001","90","","1654.95","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II)","","- C15 H20 Cu N2 O4 -","- C15 H20 Cu N2 O4 -","- C60 H80 Cu4 N8 O16 -","4","1","KU3061","Perdih, Franc","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2012","68","3","m64","m68","10.1107/S0108270112004386","","","0.71073","MoKα","","0.0411","0.0371","","","","0.1063","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018415","7.5686","0.0003","8.3504","0.0003","25.6871","0.001","90","","93.081","0.001","90","","1621.1","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","","- C14 H19 Cu N3 O4 -","- C14 H19 Cu N3 O4 -","- C56 H76 Cu4 N12 O16 -","4","1","KU3061","Perdih, Franc","(Pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyridin-2-amine-κ<i>N</i>^1^)copper(II) and (pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(pyrimidin-2-amine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2012","68","3","m64","m68","10.1107/S0108270112004386","","","0.71073","MoKα","","0.041","0.0333","","","","0.0929","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018416","8.9484","0.0011","11.4743","0.0014","12.3985","0.0015","68.978","0.002","84.418","0.002","78.501","0.002","1164","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato- κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]","","- C17 H26 La N5 O9 -","- C17 H26 La N5 O9 -","- C34 H52 La2 N10 O18 -","2","1","KU3062","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Poly[[diaquabis(μ~2~-crotonato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>')(crotonato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] adenine monosolvate monohydrate]","Acta Crystallographica Section C","2012","68","3","m53","m56","10.1107/S0108270112002247","","","0.71073","MoKα","","0.0215","0.0211","","","0.0563","0.0567","","","","","","1.048","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018417","4.152","0.0008","12.603","0.003","11.657","0.002","90","","90","","90","","610","0.2","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","pentanickel tetratin zinc","","- Ni3.17 Sn2.67 Zn0.67 -","- Ni3.16 Sn2.66667 Zn0.666667 -","- Ni18.96 Sn16 Zn4 -","6","0.375","KU3063","Schmetterer, Clemens; Effenberger, Herta Silvia; Marker, Martin C. J.; Flandorfer, Hans","Ni~5-{δ~}Sn~4~Zn (δσim 0.25) from single-crystal data","Acta Crystallographica Section C","2012","68","3","i9","i11","10.1107/S0108270112000455","","","0.71073","MoKα","","0.0318","0.0258","","","0.0666","0.0705","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018418","5.25191","0.00012","12.2401","0.0003","21.4088","0.0005","90","","93.2353","0.0007","90","","1374.05","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nimustine hydrochloride","4-amino-5-({[<i>N</i>-(2-chloroethyl)-<i>N</i>-nitrosocarbamoyl]amino}methyl)- 2-methylpyrimidin-1-ium chloride","","- C9 H14 Cl2 N6 O2 -","- C9 H14 Cl2 N6 O2 -","- C36 H56 Cl8 N24 O8 -","4","1","LG3071","Bekö, Sándor L.; Urmann, David; Lakatos, Andrea; Glaubitz, Clemens; Schmidt, Martin U.","Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-<i>N</i>-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR","Acta Crystallographica Section C","2012","68","3","o144","o148","10.1107/S0108270112005252","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.1781","","","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018419","12.061","0.003","18.151","0.005","12.129","0.003","90","","93.403","0.005","90","","2650.6","1.2","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","dodecaaquadi-μ~3~-hydroxido-deca-μ~2~-hydroxido- octacosaoxidotetracobalt(II)dodecamolybdenum(V) dodecahydrate","","- Co4 H60 Mo12 O64 -","- Co4 Mo12 O64 -","- Co8 Mo24 O128 -","2","0.5","LG3073","Ellern, Arkady; Kögerler, Paul","[Co^II^~4~Mo^V^~12~O~28~(OH)~12~(H~2~O)~12~]·12H~2~O: facilitating single-crystal growth by deuteration","Acta Crystallographica Section C","2012","68","3","i17","i19","10.1107/S0108270112006014","","","0.71073","MoKα","","0.0644","0.047","","","0.1052","0.1125","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018420","7.5657","0.0009","9.9027","0.0012","7.5819","0.0009","90","","98.05","0.002","90","","562.45","0.12","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Diammonium carbonate peroxosolvate","Diammonium carbonate hydrogen peroxide monosolvate","","- C H10 N2 O5 -","- C H10 N2 O5 -","- C4 H40 N8 O20 -","4","1","LG3077","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia","Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds","Acta Crystallographica Section C","2012","68","3","i20","i24","10.1107/S0108270112006701","","","0.71073","MoKα","","0.0304","0.0288","","","0.0724","0.0736","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018421","17.82","0.002","5.9357","0.0008","16.888","0.002","90","","90","","90","","1786.3","0.4","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Dicaesium carbonate triperoxosolvate","Dicaesium carbonate hydrogen peroxide trisolvate","","- C H6 Cs2 O9 -","- C H6 Cs2 O9 -","- C8 H48 Cs16 O72 -","8","1","LG3077","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia","Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds","Acta Crystallographica Section C","2012","68","3","i20","i24","10.1107/S0108270112006701","","","0.71073","MoKα","","0.0218","0.0184","","","0.0452","0.0467","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018422","7.9011","0.001","11.4482","0.0015","12.4541","0.0012","90","","129.22","0.006","90","","872.74","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","formylcymantrene","tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I)","","- C9 H5 Mn O4 -","- C9 H5 Mn O4 -","- C36 H20 Mn4 O16 -","4","1","SF3162","Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions","Acta Crystallographica Section C","2012","68","3","m69","m72","10.1107/S0108270112005562","","","0.71073","MoKα","","0.0206","0.0195","","","0.0528","0.0534","","","","","","1.003","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018423","8.0768","0.0006","11.5037","0.0008","12.3457","0.0007","90","","127.86","0.003","90","","905.63","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","formylcyrhetrene","tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I)","","- C9 H5 O4 Re -","- C9 H5 O4 Re -","- C36 H20 O16 Re4 -","4","1","SF3162","Romanov, Alexander S.; Angles, Gary F.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Tricarbonyl(η^5^-formylcyclopentadienyl)manganese(I) and tricarbonyl(η^5^-formylcyclopentadienyl)rhenium(I) containing short π(CO)···π(CO) and π(CO)···π interactions","Acta Crystallographica Section C","2012","68","3","m69","m72","10.1107/S0108270112005562","","","0.71073","MoKα","","0.0188","0.017","","","0.0407","0.0417","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018424","11.5083","0.0008","8.1027","0.0006","18.321","0.0016","90","","110.505","0.005","90","","1600.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H15 Br Cl N O -","- C20 H15 Br Cl N O -","- C80 H60 Br4 Cl4 N4 O4 -","4","1","SF3167","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>SR</i>)-7-Bromo-2-<i>exo</i>-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: sheets built by the π-stacking of hydrogen-bonded chains","Acta Crystallographica Section C","2012","68","3","o123","o125","10.1107/S0108270112004520","","","0.71073","MoKα","","0.0508","0.0337","","","0.0637","0.0685","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018425","8.6346","0.0005","21.6152","0.0012","13.6021","0.0008","90","","90","","90","","2538.7","0.3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","dichlorido-2κ^2^<i>Cl</i>-μ-oxido-κ^2^<i>O</i>:<i>O</i>-tetraoxido- 1κ^2^<i>O</i>,2κ^2^<i>O</i>-[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- 1κ<i>N</i>^2^)methane]dimolybdenum(IV) acetonitrile monosolvate","","- C18 H25 Cl2 Mo2 N7 O5 -","- C18 H25 Cl2 Mo2 N7 O5 -","- C72 H100 Cl8 Mo8 N28 O20 -","4","0.5","SK3427","Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane","Acta Crystallographica Section C","2012","68","3","m73","m75","10.1107/S0108270112004507","","","0.71073","MoKα","","0.0459","0.0381","","","0.1075","0.1146","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018426","10.614","0.003","10.808","0.003","11.338","0.003","73.075","0.004","83.958","0.005","61.833","0.005","1096.2","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate","","- C29 H57 Dy2 N5 O23 -","- C29 H57 Dy2 N5 O23 -","- C29 H57 Dy2 N5 O23 -","1","0.5","SK3428","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue","Acta Crystallographica Section C","2012","68","3","m80","m84","10.1107/S0108270112007263","","","0.71073","MoKα","","0.0186","0.0182","","","0.0454","0.0456","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018427","10.633","0.003","10.847","0.003","11.397","0.003","73.126","0.004","83.926","0.004","61.784","0.005","1107.6","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)samarium(III)] adenine monosolvate heptahydrate","","- C29 H57 N5 O23 Sm2 -","- C29 H57 N5 O23 Sm2 -","- C29 H57 N5 O23 Sm2 -","1","0.5","SK3428","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue","Acta Crystallographica Section C","2012","68","3","m80","m84","10.1107/S0108270112007263","","","0.71073","MoKα","","0.0177","0.017","","","0.0424","0.0428","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018428","7.2248","0.0005","18.1447","0.0019","9.4504","0.0008","90","","94.279","0.006","90","","1235.42","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(5-nitrofuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0882","0.0478","","","0.1147","0.1385","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018429","27.141","0.004","5.4082","0.0007","17.2849","0.0018","90","","103.275","0.009","90","","2469.4","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-fluoro-2-<i>exo</i>-(1-methyl-1<i>H</i>-pyrrol-2-yl)-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C15 H15 F N2 O -","- C15 H15 F N2 O -","- C120 H120 F8 N16 O8 -","8","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1292","0.0532","","","0.1164","0.1483","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018430","5.5265","0.0005","10.6652","0.0019","20.905","0.004","90","","97.166","0.011","90","","1222.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-fluoro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1141","0.0576","","","0.1387","0.1754","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018431","9.272","0.002","10.9142","0.0013","12.963","0.002","90","","101.023","0.011","90","","1287.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-fluoro-2-<i>exo</i>-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O S -","- C15 H14 F N O S -","- C60 H56 F4 N4 O4 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0842","0.0499","","","0.1151","0.1346","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018432","9.2106","0.0016","10.906","0.002","13.4259","0.0013","90","","106.086","0.012","90","","1295.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-fluoro-2-<i>exo</i>-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 F N O S -","- C15 H14 F N O S -","- C60 H56 F4 N4 O4 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.099","0.0481","","","0.0882","0.1062","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018433","10.2835","0.0013","5.4829","0.0003","23.428","0.002","90","","96.665","0.009","90","","1312","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-chloro-2-<i>exo</i>-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy- 1<i>H</i>-1-benzazepine","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C60 H56 Cl4 N4 O8 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1029","0.0523","","","0.1164","0.1429","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018434","5.5088","0.0006","10.7619","0.0017","13.1398","0.0019","110.011","0.01","98.797","0.01","92.271","0.012","719.8","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-<i>exo</i>-(5-methylfuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C16 H14 F3 N O3 -","- C16 H14 F3 N O3 -","- C32 H28 F6 N2 O6 -","2","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.144","0.0557","","","0.1141","0.147","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018435","16.234","0.003","5.6113","0.0005","16.665","0.003","90","","106.143","0.014","90","","1458.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(3-methylthiophen-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro- 1,4-epoxy-1<i>H</i>-1-benzazepine","","- C16 H14 F3 N O2 S -","- C16 H14 F3 N O2 S -","- C64 H56 F12 N4 O8 S4 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.0718","0.0477","","","0.1125","0.1279","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018436","20.412","0.0015","7.369","0.0018","10.035","0.003","90","","103.091","0.015","90","","1470.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-<i>exo</i>-(5-nitrofuran-2-yl)-7-trifluoromethoxy-2,3,4,5-tetrahydro-1,4- epoxy-1<i>H</i>-1-benzazepine","","- C15 H11 F3 N2 O5 -","- C15 H11 F3 N2 O5 -","- C60 H44 F12 N8 O20 -","4","1","SK3430","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Nine closely related tetrahydro-1,4-epoxy-1-benzazepines carrying pendant heterocyclic substituents: hydrogen-bonded supramolecular assembly in zero, one and two dimensions","Acta Crystallographica Section C","2012","68","3","o131","o140","10.1107/S010827011200707X","","","0.71073","MoKα","","0.1163","0.0619","","","0.1479","0.1827","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018437","7.9622","0.0002","14.3492","0.0004","14.6469","0.0004","90","","97.21","0.002","90","","1660.19","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol- 5(4<i>H</i>)-one","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","SK3431","Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech","1-[(1-Ethoxypropylidene)amino]-2-ethyl-4-(4-hydroxybenzyl)imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2012","68","3","o141","o143","10.1107/S0108270112007597","","","0.71073","MoKα","","0.0502","0.0347","","","0.0824","0.0854","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018438","10.037","0.002","5.33","0.001","29.57","0.004","90","","90","","90","","1581.9","0.5","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","benzyl carbamate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","UK3041","Mata, Ignasi; Molins, Elies; Amat, Mercedes; Llor, Núria; Checa, Begoña","C—H···<i>X</i> (<i>X</i> = O, N or π) interactions in benzyl carbamate","Acta Crystallographica Section C","2012","68","3","o114","o118","10.1107/S0108270112003186","","","0.71073","MoKα","","0.1365","0.0761","","","0.1916","0.2331","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018439","9.2225","0.0004","11.2741","0.0005","13.0892","0.0005","90","","95.367","0.001","90","","1354.99","0.1","296","","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dimethyl (3,4-dichlorobenzoyl)carbonohydrazonodithioate","","- C10 H10 Cl2 N2 O S2 -","- C10 H10 Cl2 N2 O S2 -","- C40 H40 Cl8 N8 O4 S8 -","4","2","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.0372","0.0329","","","0.0879","0.0915","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018440","28.676","0.0011","10.3705","0.0003","14.7176","0.0006","90","","90.9","0.004","90","","4376.2","0.3","292","","292","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dibenzyl (3,4-dichlorobenzoyl)carbonohydrazonodithioate","","- C22 H18 Cl2 N2 O S2 -","- C22 H18 Cl2 N2 O S2 -","- C176 H144 Cl16 N16 O8 S16 -","8","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.0394","0.0303","","","0.0821","0.0843","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018441","8.9307","0.0004","9.0858","0.0007","10.3873","0.0005","65.039","0.006","69.172","0.004","74.892","0.005","708.08","0.08","291","","291","","","","","","","","","6","P -1","-P 1","2","","dimethyl (3,4-dichlorobenzoyl)-1-methylcarbonohydrazonodithioate","","- C11 H12 Cl2 N2 O S2 -","- C11 H12 Cl2 N2 O S2 -","- C22 H24 Cl4 N4 O2 S4 -","2","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","0.71073","MoKα","","0.038","0.0327","","","0.0951","0.0973","","","","","","1.148","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018442","13.368","0.0002","8.1817","0.0001","13.5158","0.0002","90","","105.415","0.001","90","","1425.08","0.04","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,4-dichloro-<i>N</i>'-(1,3-dithiolan-2-ylidene)-<i>N</i>-methylbenzohydrazide","","- C11 H10 Cl2 N2 O S2 -","- C11 H10 Cl2 N2 O S2 -","- C44 H40 Cl8 N8 O4 S8 -","4","1","WQ3009","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. IV. Diesters of benzoylcarbonohydrazonodithioic acid","Acta Crystallographica Section C","2012","68","3","o99","o103","10.1107/S0108270112001734","","","1.54178","CuKα","","0.0347","0.0343","","","0.0994","0.0999","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018443","9.5677","0.0006","9.8798","0.0004","14.7183","0.0011","104.726","0.005","104.033","0.006","103.273","0.004","1240.95","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","2","YF3011","Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Chain formation by disordered, but correlated, hydrogen bonds in <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol and <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","Acta Crystallographica Section C","2012","68","3","o126","o130","10.1107/S0108270112003988","","","0.71073","MoKα","","0.0753","0.0469","","","0.096","0.108","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018444","9.6764","0.0005","10.6897","0.0003","14.4433","0.0005","72.018","0.003","89.108","0.003","72.494","0.003","1350.27","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro- 1<i>H</i>-1-benzazepin-4-ol","","- C15 H17 N O S -","- C15 H17 N O S -","- C60 H68 N4 O4 S4 -","4","2","YF3011","Blanco, Maria Camila; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Chain formation by disordered, but correlated, hydrogen bonds in <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(thiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol and <i>cis</i>-(2<i>RS</i>,4<i>SR</i>)-2-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","Acta Crystallographica Section C","2012","68","3","o126","o130","10.1107/S0108270112003988","","","0.71073","MoKα","","0.0894","0.0488","","","0.1104","0.1311","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018445","7.9019","0.0005","10.2333","0.0007","10.4441","0.0007","112.281","0.003","95.373","0.004","104.862","0.003","737.93","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[bis(μ~4~-3-{[2-(3-hydroxy-2- oxidobenzylidene)hydrazinylidene]methyl}benzene-1,2- diolato)dimethanoltricopper(II)]","","- C30 H26 Cu3 N4 O10 -","- C30 H26 Cu3 N4 O10 -","- C30 H26 Cu3 N4 O10 -","1","0.5","BG3148","Zhang, Liangliang; Liu, Fuling; Yuan, Shuai; Wang, Xiaoyang; Sun, Di","A one-dimensional coordination polymer based on a di-Schiff base supported trinuclear Cu^II^ subunit","Acta Crystallographica Section C","2012","68","4","m97","m99","10.1107/S0108270112009936","","","0.71073","MoKα","","0.0452","0.0322","","","0.0852","0.0927","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018446","15.12762","0.00013","15.12762","0.00013","21.0223","0.0002","90","","90","","120","","4166.31","0.06","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0418","0.0406","","0.1144","0.1127","0.1144","","","","","","1.0184","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018447","15.4995","0.0002","15.4995","0.0002","21.1346","0.0003","90","","90","","120","","4397.04","0.1","250","","250","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0611","0.0493","","0.1782","0.1542","0.1782","","","","","","0.9568","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018448","15.1327","0.0003","15.1327","0.0003","20.9326","0.0004","90","","90","","120","","4151.32","0.14","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","tetraisohexylammonium bromide","tetrakis(4-methylpentyl)azanium bromide","","- C24 H52 Br N -","- C24 H52 Br N -","- C144 H312 Br6 N6 -","6","1","BI3031","Kelland, Malcolm A.; Thompson, Amber L.","Alkyl-chain disorder in tetraisohexylammonium bromide","Acta Crystallographica Section C","2012","68","4","o152","o155","10.1107/S0108270112009377","","","1.54184","CuKα","","0.0444","0.0408","","0.128","0.1203","0.128","","","","","","0.9825","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018449","25.7648","0.0017","10.8166","0.0007","8.0542","0.0005","90","","90","","90","","2244.6","0.2","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","bis(methanolate)bis(tetrafluorobenzobarrelene)rhodium","","","- C26 H18 F8 O2 Rh2 -","- C26 H18 F8 O2 Rh2 -","- C104 H72 F32 O8 Rh8 -","4","0.5","BM3117","García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J.","Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)]","Acta Crystallographica Section C","2012","68","4","m113","m116","10.1107/S0108270112012930","","","0.71073","MoKα","","0.0391","0.0289","","","0.0656","0.0693","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018450","9.134","0.002","9.694","0.002","11.735","0.003","80.602","0.004","87.611","0.004","66.518","0.004","939.9","0.4","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[(dimethylamine-κ<i>N</i>)[μ~3~-(<i>E</i>)-2,6-dimethyl-4- styrylpyridine-3,5-dicarboxylato- κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^]zinc(II)]","","- C19 H20 N2 O4 Zn -","- C19 H20 N2 O4 Zn -","- C38 H40 N4 O8 Zn2 -","2","1","EM3046","Zhang, Ming-Xing; Chen, Xin; Huang, Kun-Lin; Zhu, Yi; Yang, Shan-Shan","Distinct chiral units from an axially prochiral ligand in a photoluminescent zinc(II)‒organic complex","Acta Crystallographica Section C","2012","68","4","m90","m93","10.1107/S0108270112006051","","","0.71073","MoKα","","0.0528","0.039","","","0.0848","0.0906","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018451","12.0615","0.0004","21.2567","0.0007","17.1877","0.0006","90","","90.529","0.003","90","","4406.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","<i>N</i>,<i>N</i>'-di-<i>tert</i>-butyl-<i>N</i>'',<i>N</i>''- dimethylphosphoric triamide","<i>tert</i>-butyl[(<i>tert</i>-butylamino)(dimethylamino)phosphoryl]amine","","- C10 H26 N3 O P -","- C10 H26.0005 N3 O P -","- C120 H312.006 N36 O12 P12 -","12","6","FA3268","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal","Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)","Acta Crystallographica Section C","2012","68","4","o164","o169","10.1107/S0108270112008566","","","0.71073","MoKα","","0.0961","0.0609","","0.1609","0.1347","0.1608","","","","","","0.9236","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018452","11.3715","0.0004","17.7755","0.0007","13.6956","0.0005","90","","119.371","0.004","90","","2412.51","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>- butyloxybis(phosphonic diamide)","({[bis(tert-butylamino)phosphoryl]oxy}(<i>tert</i>- butylamino)phosphoryl)(<i>tert</i>-butyl)amine","","- C16 H40 N4 O3 P2 -","- C16 H40 N4 O3 P2 -","- C64 H160 N16 O12 P8 -","4","1","FA3268","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Karimi Ahmadabad, Fatemeh; Fejfarová, Karla; van der Lee, Arie; Dušek, Michal","Two new <i>X</i>P(O)[NHC(CH~3~)~3~]~2~ phosphoramidates, with <i>X</i> = (CH~3~)~2~N and [(CH~3~)~3~CNH]~2~P(O)(O)","Acta Crystallographica Section C","2012","68","4","o164","o169","10.1107/S0108270112008566","","","1.5418","CuKα","","0.0521","0.0404","","","0.1004","0.1074","","","","","","1.6","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018453","15.1394","0.0004","7.7629","0.0003","11.069","0.0004","90","","100.628","0.002","90","","1278.58","0.08","295","2","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,2',4,4'-tetrahydroxybenzophenone dihydrate","bis(2,4-dihydroxyphenyl)methanone dihydrate","","- C13 H14 O7 -","- C13 H14 O7 -","- C52 H56 O28 -","4","0.5","FA3271","Landre, I. M. R.; Martins, F. T.; Ellena, J. A.; Dos Santos, M. H.; Doriguetto, A. C.","Pseudopolymorphism in hydroxybenzophenones: the dihydrate of 2,2',4,4'-tetrahydroxybenzophenone","Acta Crystallographica Section C","2012","68","4","o156","o159","10.1107/S0108270112008748","","","0.71073","MoKα","","0.0541","0.0428","","","","0.126","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018454","9.1135","0.0018","13.818","0.003","24.971","0.005","90","","95.16","0.03","90","","3131.9","1.1","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane- κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato- κ^2^<i>O</i>,<i>O</i>')cerium(III)]","","- C42 H36 Ce2 F36 O18 -","- C42 H36 Ce2 F36 O18 -","- C84 H72 Ce4 F72 O36 -","2","0.5","FG3244","Fatila, Elisabeth M.; Jennings, Michael C.; Lough, Alan; Preuss, Kathryn E.","(μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)]","Acta Crystallographica Section C","2012","68","4","m100","m103","10.1107/S0108270112010402","","","0.71073","MoKα","","0.0492","0.0347","","","0.0609","0.0654","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018455","8.9553","0.0005","8.7468","0.0005","17.0671","0.0008","90","","99.713","0.002","90","","1317.71","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibromodiphenylstannane","","- C12 H10 Br2 Sn -","- C12 H10 Br2 Sn -","- C48 H40 Br8 Sn4 -","4","1","FG3245","Ye, Fei; Reuter, Hans","Dibromodiphenylstannane: isolated centrosymmetric dimers as a new structure motif for the intermolecular association of diorganotin(IV) dihalides","Acta Crystallographica Section C","2012","68","4","m104","m108","10.1107/S0108270112012504","","","0.71073","MoKα","","0.0214","0.0167","","","0.0372","0.0389","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018456","12.347","0.003","4.6558","0.0012","11.607","0.003","90","","105.856","0.008","90","","641.8","0.3","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","6-bromo-2-(3-oxo-2,3-dihydro-1<i>H</i>-indol-2-ylidene)-2,3-dihydro-1<i>H</i>- indol-3-one","","- C16 H9 Br N2 O2 -","- C16 H9 Br N2 O2 -","- C32 H18 Br2 N4 O4 -","2","1","GG3263","Szalda, David J.; Ramig, Keith; Lavinda, Olga; Koren, Zvi C.; Massa, Lou","6-Bromoindigo dye","Acta Crystallographica Section C","2012","68","4","o160","o163","10.1107/S0108270112006440","","","0.71073","MoKα","","0.0937","0.059","","","0.1265","0.1414","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018457","8.472","0.0001","22.7966","0.0003","16.8592","0.0002","90","","93.886","0.001","90","","3248.58","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol)","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","KU3064","Bond, Marcus R.; Hathaway, Bruce A.; Kilgore, Uriah J.","4,4'-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols","Acta Crystallographica Section C","2012","68","4","o179","o182","10.1107/S0108270112013169","","","0.71073","MoKα","","0.0677","0.0456","","","0.1102","0.1223","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018458","22.975","0.005","5.5835","0.001","21.55","0.005","90","","116.06","0.03","90","","2483.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Diphenyl-1,2,4-triazin-6(1<i>H</i>)-one","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C120 H88 N24 O8 -","8","1","KY3010","Ejsmont, Krzysztof; Kudelko, Agnieszka; Zieliński, Wojciech","3,5-Diphenyl-1,2,4-triazin-6(1<i>H</i>)-one: synthesis, and X-ray and DFT-calculated structures","Acta Crystallographica Section C","2012","68","4","o149","o151","10.1107/S0108270112008384","","","0.71073","MoKα","","0.1878","0.0472","","","0.0433","0.0498","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018459","7.6419","0.0004","16.2205","0.0008","23.4299","0.0012","90","","90","","90","","2904.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[diaqua((2<i>S</i>,3<i>R</i>,4<i>S</i>)-3-ethenyl-2-(β-D- glucopyranosyloxy)-4-{[(1<i>S</i>)-2,3,4,9-tetrahydro-1<i>H</i>- pyrido[3,4-<i>b</i>]indol-2-ium-1-yl]methyl}-3,4-dihydro-2<i>H</i>- pyran-5-carboxylate)sodium] chloride monohydrate]","","- C26 H38 Cl N2 Na O12 -","- C26 H38 Cl N2 Na O12 -","- C104 H152 Cl4 N8 Na4 O48 -","4","1","LG3078","de Castro, Rosane; da Matos, Carolina; Nascimento, Cláudia A. do; Oliveira, Cecília M. A.; Kato, Lucília; Lião, Luciano M.; Sabino, José R.","Absolute configuration of strictosidinic acid","Acta Crystallographica Section C","2012","68","4","m94","m96","10.1107/S0108270112010372","","","1.54178","CuKα","","0.0729","0.0628","","","","0.1589","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018460","8.4644","0.0002","19.8264","0.0005","27.9406","0.0007","90","","90","","90","","4689","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","aripiprazole nitrate","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium nitrate","","- C23 H28 Cl2 N4 O5 -","- C23 H28 Cl2 N4 O5 -","- C184 H224 Cl16 N32 O40 -","8","1","QS3012","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. I. Aripiprazole nitrate","Acta Crystallographica Section C","2012","68","4","o170","o173","10.1107/S0108270112010785","","","0.71073","MoKα","","0.0555","0.0417","","","0.095","0.1027","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018461","9.2295","0.0002","11.6047","0.0003","12.9863","0.0003","102.423","0.002","99.045","0.002","106.753","0.002","1264.44","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-3,5-dichloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^; κ^3^<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^2^- bis[(3,5-dichloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C52 H28 Cl8 Cu2 N4 O12 -","- C52 H28 Cl8 Cu2 N4 O12 -","- C52 H28 Cl8 Cu2 N4 O12 -","1","0.5","SF3164","Moncol, Ján; Jomová, Klaudia; Porubská, Mária","Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid","Acta Crystallographica Section C","2012","68","4","m85","m89","10.1107/S0108270112004532","","","0.71069","MoKα","","0.0725","0.0534","","","0.151","0.1599","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2018462","7.9153","0.0002","11.1877","0.0003","15.0623","0.0003","72.456","0.002","77.056","0.002","83.897","0.002","1238.39","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-5-chloro-2-oxidobenzoato)- κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^; κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^- bis[(5-chloro-2-hydroxybenzoic acid-κ<i>O</i>^1^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] ethanol monosolvate","","- C54 H38 Cl4 Cu2 N4 O13 -","- C54 H38 Cl4 Cu2 N4 O13 -","- C54 H38 Cl4 Cu2 N4 O13 -","1","0.5","SF3164","Moncol, Ján; Jomová, Klaudia; Porubská, Mária","Two centrosymmetric dinuclear phenanthroline‒copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid","Acta Crystallographica Section C","2012","68","4","m85","m89","10.1107/S0108270112004532","","","0.71069","MoKα","","0.0403","0.0322","","","0.094","0.0964","","","","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018463","12.525","0.006","15.051","0.007","12.719","0.006","90","","106.241","0.01","90","","2302","1.9","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-<i>erythro</i>- pentofuranosyl)-5-[6-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)hex-1- ynyl]pyrimidin-2(1<i>H</i>)-one","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","2","SF3166","Seela, Frank; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","A 2'-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit","Acta Crystallographica Section C","2012","68","4","o174","o178","10.1107/S0108270112010682","","","0.71073","MoKα","","0.0433","0.0361","","","0.089","0.0934","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018464","23.251","0.005","8.907","0.005","19.233","0.005","90","","101.221","0.005","90","","3907","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-benzene-1,4-dicarboxylato)di-μ-chlorido- (triethanolamine)dicadmium(II)]","","- C14 H19 Cd2 Cl2 N O7 -","- C14 H19 Cd2 Cl2 N O7 -","- C112 H152 Cd16 Cl16 N8 O56 -","8","1","SF3169","He, Xiyun; Lv, Jianyi; Xu, Guohai","Poly[(μ~3~-benzene-1,4-dicarboxylato)di-μ-chlorido-(triethanolamine)dicadmium(II)]: a cadmium‒halide coordination polymer with a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2012","68","4","m109","m112","10.1107/S0108270112012668","","","0.71073","MoKα","","0.0253","0.0205","","","0.0453","0.0469","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018465","8.2523","0.0003","11.1475","0.0003","27.817","0.0007","90","","90","","90","","2558.96","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cyclopentylaminium cinnamate","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0418","","","","0.1067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018466","13.4992","0.0004","6.4723","0.0002","16.7352","0.0005","90","","108.61","0.002","90","","1385.72","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cyclohexylaminium cinnamate","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0579","","","","0.1742","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018467","5.779","0.0004","11.34","0.0011","22.751","0.0015","90","","90","","90","","1491","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cycloheptylaminium cinnamate","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0382","","","","0.0842","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018468","11.4496","0.0002","6.1011","0.0001","43.0883","0.0008","90","","93.659","0.001","90","","3003.8","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cycloheptylaminium cinnamate","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0518","","","","0.1485","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018469","24.479","0.0004","6.28","0.0004","22.634","0.0005","90","","114.894","0.002","90","","3156.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclooctylaminium cinnamate","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C136 H200 N8 O16 -","8","2","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0604","","","","0.1595","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018470","12.699","0.0004","5.891","0.0002","14.387","0.004","90","","110.855","0.002","90","","1005.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclododecylaminium cinnamate","","- C21 H33 N O2 -","- C21 H33 N O2 -","- C42 H66 N2 O4 -","2","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0504","","","","0.1236","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018471","14.596","0.003","10.995","0.002","16.192","0.003","90","","107.96","0.03","90","","2471.9","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) monohydrate","","- C15 H34 Cl2 N6 Ni O10 -","- C15 H34 Cl2 N6 Ni O10 -","- C60 H136 Cl8 N24 Ni4 O40 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.154","0.057","","","0.0926","0.1359","","","","","","1.233","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018472","9.428","0.005","16.047","0.005","16.06","0.005","90","","90","","90","","2429.7","1.7","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate)","","- C15 H32 Cl2 N6 Ni O9 -","- C15 H32 Cl2 N6 Ni O9 -","- C60 H128 Cl8 N24 Ni4 O36 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71069","MoKα","","0.0795","0.0585","","","0.1279","0.1532","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018473","16.665","0.005","9.696","0.005","13.936","0.005","90","","92.849","0.005","90","","2249","1.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}(perchlorato)nickel(II) perchlorate","","- C15 H30 Cl2 N6 Ni O8 -","- C15 H30 Cl2 N6 Ni O8 -","- C60 H120 Cl8 N24 Ni4 O32 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71069","MoKα","","0.0646","0.0373","","","0.0862","0.0919","","","","","","0.899","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018474","13.7285","0.0012","19.233","0.0018","21.171","0.002","90","","90","","90","","5590","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-{1,8-bis[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) 0.24-hydrate","","- C20 H36.48 Cl2 N8 Ni O8.24 -","- C20 H36 Cl2 N8 Ni O8.248 -","- C160 H288 Cl16 N64 Ni8 O65.984 -","8","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.0945","0.0642","","","0.1366","0.1512","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018475","13.8506","0.0006","17.3867","0.0008","19.7476","0.0008","90","","90","","90","","4755.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin pentahydrate","(2<i>S</i>,12<i>Z</i>,14<i>E</i>,16<i>S</i>,17<i>S</i>,18<i>R</i>, 19<i>R</i>,20<i>R</i>,21<i>S</i>,22<i>R</i>,23<i>S</i>,24<i>E</i>)-21- acetyloxy-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl- 8-[(<i>E</i>)-<i>N</i>-(4-methylpiperazin-4-ium-1-yl)formimidoyl]-1,11-dioxo- 1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-<i>b</i>]furan- 5-olate pentahydrate","","- C43 H68 N4 O17 -","- C43 H68 N4 O17 -","- C172 H272 N16 O68 -","4","1","FA3275","Wicher, Barbara; Pyta, Krystian; Przybylski, Piotr; Tykarska, Ewa; Gdaniec, Maria","Redetermination of rifampicin pentahydrate revealing a zwitterionic form of the antibiotic","Acta Crystallographica Section C","2012","68","5","o209","o212","10.1107/S0108270112015296","","","1.54178","CuKα","","0.0508","0.0482","","","0.1321","0.1353","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018476","9.5173","0.0001","9.5173","0.0001","56.0061","0.0009","90","","90","","120","","4393.33","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","scandium dirubidium pentadecamolybdenum nonadecasulfide","","- Mo15 Rb2 S19 Sc0.43 -","- Mo15 Rb2 S19 Sc0.426 -","- Mo90 Rb12 S114 Sc2.556 -","6","0.166667","FN3104","Gougeon, Patrick; Al Rahal Al Orabi, Rabih; Gautier, Régis; Potel, Michel","Sc~0.43(2)~Rb~2~Mo~15~S~19~, a partially Sc-filled variant of Rb~2~Mo~15~S~19~","Acta Crystallographica Section C","2012","68","5","i25","i28","10.1107/S0108270112016605","","","0.71069","MoKα","","0.0308","0.0292","","","0.0619","0.0624","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018477","17.8073","0.0009","12.3587","0.0007","28.5276","0.0018","90","","98.603","0.006","90","","6207.6","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7- triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate","","- C25 H39 Cl2 N7 O6 Ru -","- C25 H39 Cl2 N7 O6 Ru -","- C200 H312 Cl16 N56 O48 Ru8 -","8","1","GZ3210","Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D.","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","Acta Crystallographica Section C","2012","68","5","m127","m130","10.1107/S0108270112015259","","","0.71073","MoKα","","0.0995","0.0468","","","0.1057","0.1223","","","","","","0.87","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018478","8.1705","0.0006","10.3825","0.0011","18.1967","0.0015","92.464","0.007","96.74","0.007","103.386","0.008","1487.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7- triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","","- C21 H39 Cl2 N5 O13 Ru -","- C21 H39 Cl2 N5 O13 Ru -","- C42 H78 Cl4 N10 O26 Ru2 -","2","1","GZ3210","Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D.","Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate","Acta Crystallographica Section C","2012","68","5","m127","m130","10.1107/S0108270112015259","","","0.71069","MoKα","","0.0748","0.0531","","","0.1267","0.1441","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018479","4.9972","0.0001","21.8972","0.0006","10.4994","0.0003","90","","90.668","0.001","90","","1148.82","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)- 2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']","","- C9 H7 Ag N4 O4 S -","- C9 H7 Ag N4 O4 S -","- C36 H28 Ag4 N16 O16 S4 -","4","1","LN3150","Wan, Chong-Qing; Wang, Zi-Jia; Qiao, Peng; Wang, Zhi-Wei; Li, Ai-Min","Supramolecular framework in <i>catena</i>-poly[[(nitrato-κ<i>O</i>)silver(I)]-μ-(<i>R</i>,<i>S</i>)-2-(pyridin-4-ylsulfinyl)pyrimidine-κ^3^<i>N</i>,<i>O</i>:<i>N</i>']","Acta Crystallographica Section C","2012","68","5","m117","m120","10.1107/S0108270112015041","","","0.71073","MoKα","","0.0512","0.048","","","0.1282","0.1309","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018480","14.6316","0.0009","14.6316","0.0009","6.6239","0.0004","90","","90","","90","","1418.07","0.15","299","","299","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<i>L</i>-tartrato- κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]","","- C6 H18 Cu N4 O12 -","- C6 H18 Cu N4 O12 -","- C24 H72 Cu4 N16 O48 -","4","0.5","SF3165","Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas","<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules","Acta Crystallographica Section C","2012","68","5","m131","m134","10.1107/S0108270112016435","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0525","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018481","9.492","0.008","9.735","0.008","16.289","0.013","90","","103.206","0.012","90","","1465","2","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,6-di-<i>O</i>-benzyl-1,3-<i>O</i>-benzylidene-2-<i>O</i>-(4-methoxybenzyl)- <i>myo</i>-5-inosose","","- C35 H34 O7 -","- C35 H34 O7 -","- C70 H68 O14 -","2","1","SF3168","Gurale, Bharat P.; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Chiral crystals from an achiral molecule: 4,6-di-<i>O</i>-benzyl-1,3-<i>O</i>-benzylidene-2-<i>O</i>-(4-methoxybenzyl)-<i>myo</i>-5-inosose","Acta Crystallographica Section C","2012","68","5","o183","o187","10.1107/S0108270112010001","","","0.71073","MoKα","","0.0809","0.0728","","","0.1347","0.1377","","","","","","1.256","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018482","6.975","0.002","7.4704","0.001","12.161","0.004","102.9","0.02","92.64","0.03","101.144","0.019","603.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C24 H26 N10 O4 -","2","1","SF3170","Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2012","68","5","o199","o203","10.1107/S0108270112017921","","","0.71073","MoKα","","0.0935","0.0672","","","0.1825","0.203","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018483","11.625","0.0012","13.2225","0.0011","13.0172","0.0013","90","","101.92","0.008","90","","1957.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3- aminopropionate","","- C19 H28 N6 O3 -","- C19 H28 N6 O3 -","- C76 H112 N24 O12 -","4","1","SF3170","Yépes, Andrés F.; Palma, Alirio; Marchal, Antonio; Cobo, Justo; Glidewell, Christopher","2-Amino-6-methoxy-4-(4-methylanilino)-5-nitrosopyrimidine and ethyl <i>N</i>-[4-(adamantan-1-ylamino)-2-amino-5-nitrosopyrimidin-6-yl]-3-aminopropionate: polarized electronic structures and hydrogen-bonded supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2012","68","5","o199","o203","10.1107/S0108270112017921","","","0.71073","MoKα","","0.1074","0.0588","","","0.1303","0.1544","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018484","16.825","0.002","13.181","0.0013","8.1049","0.0012","90","","92.846","0.012","90","","1795.2","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tris(pentafluorophenyl)boroxine","2,4,6-(pentafluorophenyl)-1,3,5,2,4,6-trioxatriborinane","","- C18 B3 F15 O3 -","- C18 B3 F15 O3 -","- C72 B12 F60 O12 -","4","0.5","SK3434","Tillmann, Jan; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","Analysis of geometric parameters and packing considerations for triphenylboroxine derivatives, with tris(pentafluorophenyl)boroxine as an example","Acta Crystallographica Section C","2012","68","5","o204","o208","10.1107/S0108270112016629","","","0.71073","MoKα","","0.0491","0.0367","","","0.0971","0.1029","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018485","9.6285","0.0004","11.2875","0.0005","13.5147","0.0006","90","","99.565","0.003","90","","1448.38","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H18 F N O -","- C18 H18 F N O -","- C72 H72 F4 N4 O4 -","4","1","SK3435","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine and (2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2012","68","5","o195","o198","10.1107/S010827011201654X","","","0.71073","MoKα","","0.1073","0.0491","","","0.0947","0.1169","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018486","10.0891","0.001","10.981","0.002","13.7952","0.0018","90","","92.771","0.011","90","","1526.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro- 1<i>H</i>-1,4-epoxy-1-benzazepine","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","1","SK3435","Blanco, Maria C.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>RS</i>,4<i>RS</i>)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine and (2<i>RS</i>,4<i>RS</i>)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural","Acta Crystallographica Section C","2012","68","5","o195","o198","10.1107/S010827011201654X","","","0.71073","MoKα","","0.0873","0.0465","","","0.0893","0.1037","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018487","7.206","0.002","15.968","0.006","13.055","0.003","90","","115.049","0.013","90","","1360.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate","","- C14 H10 N2 O8 -","- C14 H10 N2 O8 -","- C56 H40 N8 O32 -","4","1","TP3010","Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong","Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","Acta Crystallographica Section C","2012","68","5","m135","m138","10.1107/S0108270112017763","","","0.71073","MoKα","","0.0835","0.0476","","","0.1162","0.1383","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018488","17.195","0.006","12.411","0.005","17.569","0.006","90","","90","","90","","3749","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","","- C14 H14 Cl2 Mn N2 O10 -","- C14 H14 Cl2 Mn N2 O10 -","- C112 H112 Cl16 Mn8 N16 O80 -","8","1","TP3010","Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong","Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate","Acta Crystallographica Section C","2012","68","5","m135","m138","10.1107/S0108270112017763","","","0.71073","MoKα","","0.0962","0.0455","","","0.1033","0.1214","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018489","6.34","0.002","10.312","0.003","6.122","0.002","90","","90","","90","","400.2","0.2","296.2","","296.2","","","","","","","","","2","C m c m","-C 2c 2","63","","lanthanum tetrazinc","","- La Zn4 -","- La Zn4 -","- La4 Zn16 -","4","0.25","BI3038","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Griffin, Alexandra","Lanthanum tetrazinc, LaZn~4~","Acta Crystallographica Section C","2012","68","6","i37","i40","10.1107/S0108270112020367","","","0.71073","MoKα","","0.0435","0.0432","","","0.1119","0.112","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018490","13.2153","0.0004","15.9752","0.0006","18.5695","0.0006","90","","108.818","0.002","90","","3710.8","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","μ-hydrogen-bis[tris(4-fluorophenyl)phosphane oxide] triiodide","","- C36 H25 F6 I3 O2 P2 -","- C36 H25 F6 I3 O2 P2 -","- C144 H100 F24 I12 O8 P8 -","4","1","EG3082","Haghjoo, Farhad; Barnes, Nicholas A.; Pritchard, Robin; Godfrey, Stephen M.; Ratcliffe, Shane","Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide","Acta Crystallographica Section C","2012","68","6","o216","o219","10.1107/S0108270112020112","","","0.71073","MoKα","","0.0691","0.0497","","","","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018491","14.1054","0.0001","14.547","0.0001","18.7059","0.0002","90","","106.954","0.0003","90","","3671.47","0.05","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II)","","- C14 H24 Cl2 Co N4 -","- C14 H24 Cl2 Co N4 -","- C112 H192 Cl16 Co8 N32 -","8","2","EG3092","Herdtweck, Eberhardt; Zeller, Alexander; Strassner, Thomas","Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II)","Acta Crystallographica Section C","2012","68","6","m166","m168","10.1107/S0108270112020884","","","0.71073","MoKα","","0.045","0.0315","","","0.0709","0.0762","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018492","13.07929","0.00017","5.82873","0.00008","16.314","0.0002","90","","107.31","0.0006","90","","1187.38","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3<i>R</i>,5<i>S</i>,5'<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>, 14<i>S</i>)-10,13-dimethyl-5'-(2-methylpropyl)tetradecahydro-6'<i>H</i>- spiro[cyclopenta[<i>a</i>]phenanthrene-3,2'-[1,4]oxazinane]-6',17(2<i>H</i>)- dione","","- C26 H41 N O3 -","- C26 H41 N O3 -","- C52 H82 N2 O6 -","2","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0415","0.0402","","","0.1058","0.1071","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018493","6.3941","0.0002","18.144","0.0007","22.6047","0.0009","90","","90","","90","","2622.47","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (2<i>R</i>)-2-[(3<i>R</i>,5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>, 13<i>S</i>,14<i>S</i>)-10,13-dimethyl-2',17-dioxohexadecahydro-3'<i>H</i>- spiro[cyclopenta[<i>a</i>]phenanthrene-3,5'-[1,3]oxazolidin-3'-yl]]- 4-methylpentanoate","","- C28 H43 N O5 -","- C28 H43 N O5 -","- C112 H172 N4 O20 -","4","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0389","0.0369","","","0.0989","0.1007","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018494","6.038","0.003","10.286","0.004","20.096","0.008","90","","103.39","0.016","90","","1214.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone","","- C10 H13 B O3 S -","- C10 H13 B O3 S -","- C40 H52 B4 O12 S4 -","4","1","FG3242","Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","Acta Crystallographica Section C","2012","68","6","o213","o215","10.1107/S0108270112018598","","","0.71073","MoKα","","0.109","0.0638","","","0.144","0.1672","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018495","6.664","0.005","9.537","0.008","10.771","0.009","102.252","0.019","93.24","0.03","94.07","0.03","665.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","","- C13 H17 B O3 -","- C13 H17 B O3 -","- C26 H34 B2 O6 -","2","1","FG3242","Urdaneta, Neudo; Nuñez, Jesús; González, Teresa; Briceño, Alexander","1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde","Acta Crystallographica Section C","2012","68","6","o213","o215","10.1107/S0108270112018598","","","0.7107","MoKα","","0.0868","0.0636","","","0.1828","0.2029","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018496","22.268","0.004","22.268","0.004","18.398","0.005","90","","90","","90","","9123","3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1,5-Bis(4-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione‒ 1,5-bis(2-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione (84/16)","","- C26 H19 Cl2 N O3 -","- C26 H19 Cl2 N O3 -","- C416 H304 Cl32 N16 O48 -","16","1","FG3252","Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of <i>R</i>~2~^2^(18) and <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2012","68","6","o220","o225","10.1107/S0108270112020860","","","0.71073","MoKα","","0.0846","0.0535","","","0.1392","0.1586","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018497","10.6771","0.0019","11.5208","0.0015","15.7275","0.0013","83.956","0.011","72.795","0.013","68.204","0.014","1715.9","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9<i>RS</i>,10<i>RS</i>)-8,9-bis(4-chlorobenzyl)- 10-(2-oxo-1,2-dihydroquinolin-3-yl)-5,6,9,10-tetrahydrophenanthridine","","- C36 H22 Cl2 N2 O4 -","- C36 H22 Cl2 N2 O4 -","- C72 H44 Cl4 N4 O8 -","2","1","FG3252","Insuasty, Daniel; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of <i>R</i>~2~^2^(18) and <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2012","68","6","o220","o225","10.1107/S0108270112020860","","","0.71073","MoKα","","0.0737","0.0507","","","0.1482","0.1607","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018498","8.034","0.002","9.804","0.003","12.093","0.003","74.72","0.004","80.455","0.004","86.176","0.004","905.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","ClOL3m","Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2- ylmethyl)guanidine]bis(perchlorato)copper(II)","","- C10 H17 Cl2 Cu N5 O10 -","- C10 H17 Cl2 Cu N5 O10 -","- C20 H34 Cl4 Cu2 N10 O20 -","2","1","FN3103","Meenongwa, Atittaya; Chaveerach, Unchulee; Blake, Alexander J.","Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2-ylmethyl)guanidine]bis(perchlorato)copper(II)","Acta Crystallographica Section C","2012","68","6","m143","m146","10.1107/S0108270112015843","","","0.71073","MoKα","","0.0331","0.0308","","","","0.0807","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018499","8.7822","0.0015","10.6904","0.0018","12.044","0.002","86.662","0.002","78.93","0.002","84.014","0.002","1102.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[dichloridomercury(II)]","","- C48 H40 Cl4 Hg2 N4 O4 -","- C48 H40 Cl4 Hg2 N4 O4 -","- C48 H40 Cl4 Hg2 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0455","0.0418","","","0.1125","0.1155","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018500","9.021","0.004","11.096","0.004","11.914","0.005","81.812","0.005","78.764","0.005","81.635","0.005","1149.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[dibromidomercury(II)]","","- C48 H40 Br4 Hg2 N4 O4 -","- C48 H40 Br4 Hg2 N4 O4 -","- C48 H40 Br4 Hg2 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0511","0.04","","","0.0951","0.0998","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018501","8.9444","0.0016","12.352","0.002","12.052","0.002","72.641","0.002","74.882","0.002","77.62","0.002","1213.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bis{μ-1,2-bis[4-(pyridin-3-yl)phenoxy]ethane- κ^2^<i>N</i>:<i>N</i>'}bis[iodidomercury(II)]","","- C48 H40 Hg2 I4 N4 O4 -","- C48 H40 Hg2 I4 N4 O4 -","- C48 H40 Hg2 I4 N4 O4 -","1","0.5","GZ3208","Wu, Dan; Qin, Na; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","The structures of three Hg~2~<i>X</i>~4~<i>L</i>~2~ macrocycles {<i>X</i> = Cl, Br and I, and <i>L</i> = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands","Acta Crystallographica Section C","2012","68","6","m156","m160","10.1107/S0108270112019075","","","0.71073","MoKα","","0.0412","0.0341","","","0.0826","0.0858","","","","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018502","5.0372","0.001","10.32","0.002","17.272","0.004","90","","90","","90","","897.9","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trilithium aluminium trimolybdate(VI)","","- Al Li3 Mo3 O12 -","- Al Li3 Mo3 O12 -","- Al4 Li12 Mo12 O48 -","4","0.5","KU3069","Bugaris, Daniel E.; Loye, Hans-Conrad zur","Li~3~Al(MoO~4~)~3~, a lyonsite molybdate","Acta Crystallographica Section C","2012","68","6","i34","i36","10.1107/S0108270112020513","","","0.71073","MoKα","","0.0274","0.0206","","","0.0447","0.0475","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018503","6.141","0.002","19.914","0.006","19.91","0.006","90","","96.537","0.006","90","","2419","1.3","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine","","- C30 H24 N8 -","- C30 H24 N8 -","- C120 H96 N32 -","4","1","OV3013","Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~","Acta Crystallographica Section C","2012","68","6","m152","m155","10.1107/S0108270112019233","","","0.71073","MoKα","","0.0796","0.053","","","0.1051","0.1158","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018504","16.627","0.003","10.6199","0.0018","20.082","0.003","90","","113.586","0.002","90","","3249.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[dichloridomercury(II)]-μ-3,5-bis{4-[(benzimidazol-1- yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine] dichloromethane hemisolvate]","","- C30.5 H25 Cl3 Hg N8 -","- C30.5 H25 Cl3 Hg N8 -","- C122 H100 Cl12 Hg4 N32 -","4","1","OV3013","Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~","Acta Crystallographica Section C","2012","68","6","m152","m155","10.1107/S0108270112019233","","","0.71073","MoKα","","0.0558","0.0381","","","0.0942","0.1022","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018505","10.186","0.002","11.736","0.003","22.341","0.005","90","","102.978","0.003","90","","2602.5","1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>meso</i>-bis{η^5^-1-[1-(dimethylamino)ethenyl]-3- (trimethylsilyl)cyclopentadienyl}iron(II)","","- C24 H40 Fe N2 Si2 -","- C24 H40 Fe N2 Si2 -","- C96 H160 Fe4 N8 Si8 -","4","1","SF3173","Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","<i>meso</i>-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue","Acta Crystallographica Section C","2012","68","6","m139","m142","10.1107/S0108270112019312","","","0.71073","MoKα","","0.0803","0.0622","","","0.1278","0.136","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018506","7.891","0.002","9.363","0.003","10.44","0.003","105.531","0.003","111.101","0.003","102.658","0.003","649.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","<i>meso</i>-bis{η^5^-1-[1-(dimethylamino)ethenyl]-3- (trimethylsilyl)cyclopentadienyl}cobalt(II)","","- C24 H40 Co N2 Si2 -","- C24 H40 Co N2 Si2 -","- C24 H40 Co N2 Si2 -","1","0.5","SF3173","Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng","<i>meso</i>-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue","Acta Crystallographica Section C","2012","68","6","m139","m142","10.1107/S0108270112019312","","","0.71073","MoKα","","0.0394","0.0365","","","0.091","0.0928","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018507","14.7348","0.0005","8.3103","0.0003","20.159","0.0007","90","","92.557","0.003","90","","2466.02","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium perchlorate","","- C23 H28 Cl3 N3 O6 -","- C23 H28 Cl3 N3 O6 -","- C92 H112 Cl12 N12 O24 -","4","1","SK3436","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. II. Aripiprazole perchlorate","Acta Crystallographica Section C","2012","68","6","o235","o239","10.1107/S0108270112021348","","","0.71073","MoKα","","0.0684","0.0475","","","0.1076","0.1208","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018508","6.9808","0.0002","34.6243","0.0012","9.674","0.0004","90","","92.774","0.004","90","","2335.52","0.14","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(methanol-κ<i>O</i>)[2-methoxy-6-({2-[(2-oxido-3- methoxybenzylidene)amino]benzyl}iminomethyl)phenolato- κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>,<i>O</i>^1'^]oxidovanadium(IV) monohydrate","","- C24 H26 N2 O7 V -","- C24 H26 N2 O7 V -","- C96 H104 N8 O28 V4 -","4","1","SK3437","Kurzak, Krzysztof; Ejsmont, Krzysztof; Koprek, Katarzyna","X-ray and DFT-calculated structures of a vanadyl Schiff base complex: (methanol-κ<i>O</i>)[2-methoxy-6-({2-[(2-oxido-3-methoxybenzylidene)amino]benzyl}iminomethyl)phenolato-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>,<i>O</i>^1'^]oxidovanadium(IV) monohydrate","Acta Crystallographica Section C","2012","68","6","m161","m165","10.1107/S0108270112020938","","","0.71073","MoKα","","0.0546","0.0468","","","0.0951","0.0975","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018509","11.0841","0.0016","7.8287","0.0012","17.72","0.002","90","","90","","90","","1537.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibromoborylbenzene","","- C6 H5 B Br2 -","- C6 H5 B Br2 -","- C48 H40 B8 Br16 -","8","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0771","0.0504","","","0.1003","0.1097","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018510","6.7452","0.0005","15.239","0.0012","12.4123","0.001","90","","93.841","0.006","90","","1273","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-dibromoboryl-4-(trimethylsilyl)benzene","","- C9 H13 B Br2 Si -","- C9 H13 B Br2 Si -","- C36 H52 B4 Br8 Si4 -","4","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0447","0.0356","","","0.08","0.0841","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018511","29.446","0.003","29.446","0.003","4.0228","0.0004","90","","90","","90","","3488","0.6","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","4-bromo-1-(dibromoboryl)benzene","","- C6 H4 B Br3 -","- C6 H4 B Br3 -","- C96 H64 B16 Br48 -","16","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.1048","0.0704","","","0.1362","0.1494","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018512","8.9095","0.0009","9.2874","0.0013","12.9306","0.0013","90","","92.249","0.008","90","","1069.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo(dimethylamino)(phenyl)borane","","- C8 H12 B Br2 N -","- C8 H12 B Br2 N -","- C32 H48 B4 Br8 N4 -","4","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0764","0.0462","","","0.0945","0.1036","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018513","6.695","0.0005","11.088","0.0008","21.687","0.0016","90","","90","","90","","1609.9","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","dibromo(dimethylsulfanyl)[4-(trimethylsilyl)phenyl]borane","","- C11 H19 B Br2 S Si -","- C11 H20 B Br2 S Si -","- C44 H80 B4 Br8 S4 Si4 -","4","0.5","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0679","0.037","","","0.0752","0.0828","","","","","","0.897","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018514","12.773","0.002","27.267","0.005","12.941","0.002","90","","90","","90","","4507.1","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dichloridomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Cl6 Hg3 N13 -","- C38 H31 Cl6 Hg3 N13 -","- C152 H124 Cl24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0796","0.061","","","0.1717","0.1883","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018515","12.8037","0.0016","27.89","0.004","13.0245","0.0017","90","","90","","90","","4651","1.1","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[dibromidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Br6 Hg3 N13 -","- C38 H31 Br6 Hg3 N13 -","- C152 H124 Br24 Hg12 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0715","0.0485","","","0.1174","0.1328","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018516","12.822","0.003","28.976","0.007","13.309","0.003","90","","90","","90","","4945","2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-poly[[tris[diiodidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]","","- C38 H31 Hg3 I6 N13 -","- C38 H31 Hg3 I6 N13 -","- C152 H124 Hg12 I24 N52 -","4","0.5","WQ3013","Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties","Acta Crystallographica Section C","2012","68","6","m147","m151","10.1107/S0108270112017659","","","0.71073","MoKα","","0.0628","0.05","","","0.1276","0.1375","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018517","7.4767","0.0016","10.861","0.002","12.475","0.002","90","","98.277","0.006","90","","1002.5","0.3","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]diazepin-11(10<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","WQ3014","Keller, Max; Bhadbhade, Mohan M.; Read, Roger W.","Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms","Acta Crystallographica Section C","2012","68","6","o240","o246","10.1107/S0108270112019622","","","0.71073","MoKα","","0.0866","0.0482","","","0.1036","0.12","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018518","8.7319","0.0008","16.0343","0.0016","19.2802","0.0018","93.029","0.005","95.427","0.005","93.662","0.005","2677.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(11-hydroxy-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]diazepin-5-yl)-2- {4-[3-(1<i>H</i>-imidazol-1-yl)propyl]piperidin-1-yl}ethanone ethanol monosolvate","","- C28 H35 N5 O3 -","- C28 H35 N5 O3 -","- C112 H140 N20 O12 -","4","2","WQ3014","Keller, Max; Bhadbhade, Mohan M.; Read, Roger W.","Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms","Acta Crystallographica Section C","2012","68","6","o240","o246","10.1107/S0108270112019622","","","0.71073","MoKα","","0.2457","0.0856","","","0.1878","0.2699","","","","","","0.988","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018519","13.7962","0.0002","13.7962","0.0002","13.7962","0.0002","90","","90","","90","","2625.9","0.07","190","2","190","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","iron nitrate hexahydrate","hexaaquairon(III) trinitrate","","- Fe H12 N3 O15 -","- Fe H12 N3 O15 -","- Fe8 H96 N24 O120 -","8","0.166667","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.0338","0.0278","","","0.0755","0.0814","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018520","6.7693","0.0004","7.0692","0.0004","11.6734","0.0006","85.568","0.002","80.655","0.001","70.279","0.002","518.72","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","iron nitrate pentahydrate","pentaaquanitratoiron dinitrate","","- Fe H10 N3 O14 -","- Fe H10 N3 O14 -","- Fe2 H20 N6 O28 -","2","1","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.0199","0.0193","","","0.0588","0.0592","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018521","7.0696","0.0007","15.1917","0.0016","9.4264","0.0007","90","","96.508","0.003","90","","1005.86","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","iron nitrate tetrahydrate","triaquadinitratoiron(III) nitrate monohydrate","","- Fe H8 N3 O13 -","- Fe H8 N3 O13 -","- Fe4 H32 N12 O52 -","4","1","YP3012","Schmidt, Horst; Asztalos, Annifrid; Bok, Frank; Voigt, Wolfgang","New iron(III) nitrate hydrates: Fe(NO~3~)~3~·<i>x</i>H~2~O with <i>x</i> = 4, 5 and 6","Acta Crystallographica Section C","2012","68","6","i29","i33","10.1107/S0108270112015855","","","0.71073","MoKα","","0.028","0.0216","","","0.0525","0.0546","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018522","23.03","0.003","3.985","0.001","17.275","0.005","90","","111.33","0.01","90","","1476.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth Indium Lead Sulfide","pentalead triindium pentabismuth heptadecasulfide","","- Bi5.02 In3.05 Pb4.93 S17 -","- Bi5.019 In3.046 Pb4.935 S17 -","- Bi10.038 In6.092 Pb9.87 S34 -","2","0.5","BI3039","Winkler, H. P.; Topa, D.; Keller, E.","Pb~5~In~3~Bi~5~S~17~ [Pb~4.94(3)~In~3.05(3)~Bi~4.99(3)~S~17~] and its structural relationship with Pb~4~In~3~Bi~7~S~18~","Acta Crystallographica Section C","2012","68","7","i45","i49","10.1107/S0108270112021865","","","0.71073","MoKα","","0.0453","0.0357","","","0.0789","0.0828","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018523","14.2688","0.0008","15.0608","0.0009","15.7276","0.0009","66.226","0.001","63.654","0.001","63.7","0.001","2624","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)- κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>; κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato- κ^2^<i>O</i>,<i>O</i>')holmium(III)]","","- C46 H56 Ho2 N6 O16 -","- C46 H56 Ho2 N6 O16 -","- C92 H112 Ho4 N12 O32 -","2","1","BM3118","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Bis(2-amino-1<i>H</i>-benzimidazol-3-ium) tetrakis(μ-but-2-enoato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[bis(but-2-enoato-κ^2^<i>O</i>,<i>O</i>')holmium(III)]","Acta Crystallographica Section C","2012","68","7","m185","m188","10.1107/S0108270112024468","","","0.71073","MoKα","","0.0382","0.0293","","","0.0651","0.0696","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018524","9.4354","0.0001","34.704","0.0005","7.6873","0.0001","90","","92.062","0.001","90","","2515.55","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[benzyldecyldimethylammonium [plumbate(II)-tri-μ-bromido]]","","- C19 H34 Br3 N Pb -","- C19 H34 Br3 N Pb -","- C76 H136 Br12 N4 Pb4 -","4","1","DT3013","Hodorowicz, Maciej A.; Piaskowska, Agata; Stadnicka, Katarzyna M.","Self-assembly of long-chain quaternary ammonium cations in a hybrid inorganic‒organic material with one-dimensional polymeric tribromidoplumbate(II)","Acta Crystallographica Section C","2012","68","7","m173","m176","10.1107/S0108270112023347","","","0.71073","MoKα","","0.0963","0.0392","","","0.0629","0.0757","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018525","12.5768","0.0008","16.0166","0.0009","7.1617","0.0005","90","","110.533","0.01","90","","1350.99","0.17","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride","","- C6 H8 Au Cl5 N4 -","- C6 H8 Au Cl5 N4 -","- C24 H32 Au4 Cl20 N16 -","4","0.5","EM3049","Domasevitch, Konstantin V.","4,4'-Bi(1<i>H</i>-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium‒chloride hydrogen-bonding interactions","Acta Crystallographica Section C","2012","68","7","m169","m172","10.1107/S0108270112024389","","","0.71073","MoKα","","0.0293","0.0267","","","0.0596","0.0603","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018526","10.6118","0.0004","5.8708","0.0002","14.4181","0.0006","90","","95.029","0.001","90","","894.79","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Volborthite","tricopper(II) divanadium(V) heptaoxide dihydroxide dihydrate","","- Cu3 H6 O11 V2 -","- Cu3 H2 O11 V2 -","- Cu12 H8 O44 V8 -","4","0.5","FA3276","Ishikawa, Hajime; Yamaura, Jun-ichi; Okamoto, Yoshihiko; Yoshida, Hiroyuki; Nilsen, Gøran J.; Hiroi, Zenji","A novel crystal polymorph of volborthite, Cu~3~V~2~O~7~(OH)~2~·2H~2~O","Acta Crystallographica Section C","2012","68","7","i41","i44","10.1107/S010827011202536X","","","0.71073","MoKα","","0.0281","0.0254","","","0.0694","0.0851","","","","","","1.46","","","","has coordinates,has Fobs","287555","2023-11-12","10:38:26",""
"2018527","12.4823","0.0019","11.8834","0.0018","8.7986","0.0013","90","","129.467","0.002","90","","1007.5","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[bis(μ~3~-cyanido-κ^3^<i>N</i>:<i>C</i>:<i>C</i>)[μ~5~-5-(pyridin-4- yl)tetrazolato- κ^5^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''':<i>N</i>'''']tricopper(I)]","","- C8 H4 Cu3 N7 -","- C8 H4 Cu3 N7 -","- C32 H16 Cu12 N28 -","4","0.5","FG3248","Meng, Gao-Xiang; Zhu, Jian-Hui; Feng, Ya-Min; Huang, Xin-Tang; Yang, He-Lin","The three-dimensional coordination network in poly[di-μ~3~-cyanido-μ~5~-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)]","Acta Crystallographica Section C","2012","68","7","m194","m196","10.1107/S0108270112026625","","","0.71073","MoKα","","0.0309","0.0275","","","0.0642","0.0658","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018528","8.0316","0.0004","8.1702","0.0004","9.2085","0.0005","98.595","0.004","93.324","0.004","97.26","0.004","590.86","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","2-(2-fluorophenyl)-perhydroisoindole-1,3-dione","<i>cis</i>-2-(2-fluorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C28 H28 F2 N2 O4 -","2","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0494","0.0354","","","0.0939","0.0979","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018529","11.3688","0.0008","8.7802","0.0006","12.7989","0.001","90","","93.436","0.007","90","","1275.29","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>rac-N</i>-(3-fluorophenyl)-<i>cis</i>-2-carboxy-1-cyclohexanamide","<i>rac</i>-<i>cis</i>-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0895","0.0438","","","0.0824","0.0924","","","","","","0.861","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018530","10.7554","0.0003","6.6709","0.0002","16.8466","0.0004","90","","95.275","0.003","90","","1203.59","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-fluorophenyl)-perhydroisoindolyl-1,3-dione","<i>cis</i>-2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydroisoindoline-1,3-dione","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C56 H56 F4 N4 O8 -","4","1","FG3250","Smith, Graham; Wermuth, Urs D.","Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines","Acta Crystallographica Section C","2012","68","7","o253","o256","10.1107/S010827011202447X","","","0.71073","MoKα","","0.0489","0.0353","","","0.0871","0.0905","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018531","5.248","0.002","11.422","0.003","14.952","0.004","84.38","0.03","82.29","0.03","79.83","0.03","871.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","baicalein‒nicotinamide (1/1)","pyridine-3-carboxamide‒5,6,7-trihydroxy-2-phenyl-4<i>H</i>-chromen-4-one (1/1)","","- C21 H16 N2 O6 -","- C21 H16 N2 O6 -","- C42 H32 N4 O12 -","2","1","FG3251","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","A 1:1 cocrystal of baicalein with nicotinamide","Acta Crystallographica Section C","2012","68","7","o262","o265","10.1107/S0108270112024456","","","0.71073","MoKα","","0.0996","0.0583","","","0.1709","0.1807","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018532","10.7246","0.001","7.1767","0.0006","16.3492","0.0015","90","","104.779","0.001","90","","1216.72","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-chlorophenylhydrazone","","- C14 H10 Cl N3 -","- C14 H10 Cl N3 -","- C56 H40 Cl4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0343","0.0302","","","0.0777","0.0798","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018533","10.6804","0.0008","7.315","0.0006","16.5427","0.0013","90","","105.5","0.001","90","","1245.43","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-bromophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0327","0.0279","","","0.0662","0.0677","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018534","8.9757","0.0011","20.547","0.002","7.3703","0.0009","90","","95.137","0.002","90","","1353.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-cyanobenzaldehyde 4-iodophenylhydrazone","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.03","0.0248","","","0.0558","0.0578","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018535","7.7963","0.0006","9.8952","0.0008","16.5695","0.0013","90","","91.07","0.001","90","","1278.05","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-bromobenzaldehyde 4-cyanophenylhydrazone","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0267","0.023","","","0.0567","0.0581","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018536","7.9108","0.0008","10.0376","0.0011","16.6958","0.0018","90","","90.871","0.002","90","","1325.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-iodobenzaldehyde 4-cyanophenylhydrazone","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0299","0.0254","","","0.0659","0.068","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018537","9.7426","0.0008","6.1015","0.0005","21.7139","0.0018","90","","96.175","0.001","90","","1283.28","0.18","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(<i>E</i>)-4-chlorobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","2","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0591","0.046","","","0.1159","0.1256","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018538","6.126","0.0007","16.404","0.002","12.951","0.0016","90","","101.091","0.002","90","","1277.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-nitrobenzaldehyde 4-chlorophenylhydrazone","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C52 H40 Cl4 N12 O8 -","4","1","FG3255","Ojala, William H.; Arola, Trina M.; Brigino, Ann M.; Leavell, Jeremy D.; Ojala, Charles R.","Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones","Acta Crystallographica Section C","2012","68","7","o270","o278","10.1107/S0108270112026443","","","0.71073","MoKα","","0.0659","0.041","","","0.1056","0.118","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018539","15.6514","0.0005","15.6514","0.0005","13.06","0.0004","90","","90","","90","","3199.26","0.17","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","[5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","","- C45 H28 N4 Ni O -","- C45 H28 N4 Ni O -","- C180 H112 N16 Ni4 O4 -","4","0.25","FG3258","Spencer, Lara C.; Yao, Shu A.; Berry, John F.; Guzei, Ilia A.","An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)","Acta Crystallographica Section C","2012","68","7","m197","m199","10.1107/S010827011202642X","","","0.71073","MoKα","","0.0318","0.028","","","0.0778","0.0797","","","","","","1.156","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018540","11.0907","0.0016","11.1644","0.0016","13.48","0.002","90","","101.664","0.002","90","","1634.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chlorido{2,2-dimethyl-<i>N</i>-[(<i>E</i>)-1-(pyridin-2-yl)ethylidene]propane- 1,3-diamine}platinum(II) tetrafluoridoborate","","- C12 H19 B Cl F4 N3 Pt -","- C12 H19 B Cl F4 N3 Pt -","- C48 H76 B4 Cl4 F16 N12 Pt4 -","4","1","FN3105","Salmond, Rosanne C.; Munro, Orde Q.","π‒π Dimerization of a mono(pyridyl‒imine) platinum(II) chelate","Acta Crystallographica Section C","2012","68","7","m189","m193","10.1107/S0108270112023748","","","0.71073","MoKα","","0.0305","0.0288","","","0.074","0.0752","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018541","10.306","0.0004","6.0041","0.0002","4.69281","0.00015","90","","90","","90","","290.383","0.018","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium Iron Phosphate","Lithium iron phosphate","","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","- Fe3.74 Li3.88 O16 P4 -","1","0.125","FN3107","Dal Bo, Fabrice; Hatert, Frédéric","Li~0.97~Fe^II^~0.79~Fe^III^~0.15~(PO~4~), a new oxidized triphylite-type phosphate","Acta Crystallographica Section C","2012","68","7","i53","i54","10.1107/S0108270112026649","","","0.7107","MoKα","","0.0305","0.0284","","","0.0707","0.0721","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018542","13.4722","0.0006","16.4269","0.0008","14.8673","0.0007","90","","108.243","0.002","90","","3124.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5''-[(<i>E</i>)-2,3-Dichlorobenzylidene]-7'-(2,3-dichlorophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H26 Cl4 N2 O2 S -","- C35 H26 Cl4 N2 O2 S -","- C140 H104 Cl16 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0818","0.0469","","","0.1129","0.1337","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018543","14.8802","0.0005","9.6789","0.0003","20.2209","0.0006","90","","104.155","0.002","90","","2823.87","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5''-[(<i>E</i>)-4-fluorobenzylidene]-7'-(4-fluorophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H28 F2 N2 O2 S -","- C35 H28 F2 N2 O2 S -","- C140 H112 F8 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0717","0.0428","","","0.1115","0.1403","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018544","14.2275","0.0007","15.6753","0.0008","15.378","0.0007","90","","116.761","0.002","90","","3062.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5''-[(<i>E</i>)-4-bromobenzylidene]-7'-(4-bromophenyl)-1''-methyl- dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''- piperidine]-2,4''-dione","","- C35 H28 Br2 N2 O2 S -","- C35 H28 Br2 N2 O2 S -","- C140 H112 Br8 N8 O8 S4 -","4","1","GG3273","Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.","Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures","Acta Crystallographica Section C","2012","68","7","o257","o261","10.1107/S0108270112024584","","","0.71073","MoKα","","0.0871","0.0444","","","0.117","0.1411","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018545","14.668","0.003","10.242","0.002","17.191","0.003","90","","90","","90","","2582.6","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate","","- C18 H34 Cl N O14 -","- C18 H34 Cl N O14 -","- C72 H136 Cl4 N4 O56 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.0884","0.0551","","","0.1306","0.1481","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018546","14.634","0.003","10.177","0.002","17.116","0.003","90","","90","","90","","2549.1","0.9","293","","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","","- C18 H34 B F4 N O10 -","- C18 H34 B F4 N O10 -","- C72 H136 B4 F16 N4 O40 -","4","1","KY3014","Shi, Ping-ping; Zhang, Li; Ye, Qiong","4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate","Acta Crystallographica Section C","2012","68","7","o266","o269","10.1107/S0108270112024912","","","0.71073","MoKα","","0.1095","0.0642","","","0.1658","0.1951","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018547","23.0859","0.001","19.2656","0.0009","15.7659","0.0008","90","","92.873","0.004","90","","7003.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate","","- C5 H36 Mo5 N15 O25.5 P2 -","- C5 H36 Mo5 N15 O25.5 P2 -","- C40 H288 Mo40 N120 O204 P16 -","8","2","QS3013","Di Tondo, Pietro; Pritchard, Robin Gavin","Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH~6~N~3~)~5~[HP~2~Mo~5~O~23~]·2.5H~2~O: hydrogen bonding and π-stacking in guanidinium cations","Acta Crystallographica Section C","2012","68","7","i50","i52","10.1107/S0108270112024419","","","0.71073","MoKα","","0.0834","0.0487","","","","0.1062","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018548","10.0259","0.0012","6.9271","0.0008","13.9278","0.0012","90","","127.63","0.005","90","","766.07","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aqua(μ~2~-1<i>H</i>-imidazole-4-carboxylato- κ^3^<i>N</i>^3^,<i>O</i>:<i>O'</i>)hemi(μ~2~-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)cadmium(II)]","","- C5 H5 Cd N2 O5 -","- C5 H5 Cd N2 O5 -","- C20 H20 Cd4 N8 O20 -","4","1","SF3171","Yin, Xia; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","A new two-dimensional cadmium coordination polymer with 1<i>H</i>-imidazole-4-carboxylate and oxalate","Acta Crystallographica Section C","2012","68","7","m177","m180","10.1107/S0108270112023153","","","0.71073","MoKα","","0.0349","0.0323","","","0.0869","0.089","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018549","14.2076","0.0002","15.9721","0.0003","11.392","0.0002","90","","90","","90","","2585.13","0.08","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>R</i>,8a<i>R</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.33-hydrate","","- C32 H30.65 N2 O3.33 -","- C32 H30.655 N2 O3.3275 -","- C128 H122.62 N8 O13.31 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0891","0.0531","","","0.1165","0.1468","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018550","14.2212","0.0002","15.9917","0.0002","11.392","0.0002","90","","90","","90","","2590.78","0.07","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(3a<i>S</i>,8a<i>S</i>)-2,2-dimethyl-4,4,8,8-tetraphenyl-4,5,6,7,8,8a- hexahydro-3a<i>H</i>-1,3-dioxolo[4,5-<i>e</i>][1,3]diazepin-6-one 0.39-hydrate","","- C32 H30.8 N2 O3.4 -","- C32 H30.784 N2 O3.392 -","- C128 H123.136 N8 O13.568 -","4","1","SK3439","Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel","XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative","Acta Crystallographica Section C","2012","68","7","o247","o252","10.1107/S010827011202358X","","","0.71073","MoKα","","0.0609","0.0486","","","0.1336","0.1432","","","","","","1.14","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018551","10.119","0.002","12.37","0.003","12.962","0.003","103.19","0.03","111.06","0.03","109.3","0.03","1313.5","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[[di-μ-iodido-dicopper(I)]- bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']] <i>p</i>-toluidine tetrasolvate]","","- C54 H64 Cu2 I2 N8 -","- C54 H64 Cu2 I2 N8 -","- C54 H64 Cu2 I2 N8 -","1","0.5","YF3014","Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping","Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2012","68","7","m181","m184","10.1107/S0108270112025577","","","0.71073","MoKα","","0.0385","0.0304","","","0.0673","0.0693","","","","","","0.949","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018552","17.7","0.004","14.604","0.003","13.757","0.003","90","","109.53","0.03","90","","3351.5","1.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[di-μ-iodido-dicopper(I)]- bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']] 1,4-diiodobenzene monosolvate]","","- C32 H32 Cu2 I4 N4 -","- C32 H32 Cu2 I4 N4 -","- C128 H128 Cu8 I16 N16 -","4","0.5","YF3014","Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping","Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2012","68","7","m181","m184","10.1107/S0108270112025577","","","0.71073","MoKα","","0.0341","0.0316","","","0.0782","0.0798","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018553","7.235","0.0014","10.705","0.002","11.624","0.002","75.25","0.03","82.58","0.03","84.91","0.03","861.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","poly[(dihydrogenphosphato-κ<i>O</i>)(μ~3~-hydrogenphosphato)di-μ-oxido- (1,10-phenanthroline)copper(II)vanadium(V)]","","- C12 H11 Cu N2 O10 P2 V -","- C12 H8 Cu N2 O10 P2 V -","- C24 H16 Cu2 N4 O20 P4 V2 -","2","1","YP3013","Venegas-Yazigi, Diego; Vega, Andres; Valdes de la Barra, Karen; Saldias, Marianela; Le Fur, Eric","A new hybrid organic‒inorganic chain: [(phen)Cu‒μ-(κ^2^<i>O</i>:<i>O</i>'-VP~2~O~10~H~3~)~2~‒Cu(phen)]~<i>n~</i>","Acta Crystallographica Section C","2012","68","7","m200","m202","10.1107/S0108270112026005","","","0.71073","MoKα","","0.0315","0.0264","","","0.0726","0.0757","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018554","9.8","0.002","19.039","0.004","6.8975","0.0015","90","","90","","90","","1287","0.5","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C10 H19 Cu N5 O5 -","- C10 H19 Cu N5 O5 -","- C40 H76 Cu4 N20 O20 -","4","1","BG3151","He, Jiao-Jiao; Chai, Wen-Xiang; Song, Li; Niu, Feng; Fang, Xiao-Bin","A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2012","68","8","m206","m208","10.1107/S0108270112028442","","","0.71075","MoKα","","0.0304","0.0264","","","0.0595","0.0614","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018555","11.1247","0.0011","13.8704","0.0014","16.0515","0.0019","90","","98.621","0.002","90","","2448.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate]","","- C24 H22 Co N4 O8 -","- C24 H22 Co N4 O8 -","- C96 H88 Co4 N16 O32 -","4","1","BG3154","Deng, Yi-Fang; Xu, Jin-Sheng; Chen, Man-Sheng; Zhang, Chun-Hua","Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate]","Acta Crystallographica Section C","2012","68","8","m219","m222","10.1107/S0108270112030582","","","0.71073","MoKα","","0.0629","0.0463","","","0.1042","0.1109","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018556","11.9376","0.0001","7.3761","0.0001","18.1618","0.0002","90","","102.979","0.001","90","","1558.34","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C60 H80 Br4 N4 O12 -","4","1","BI3043","Huang, Yu; Zhong, Jia-Liang; Hanbin, Shan; Li, Min; Yuan, Zhe-Dong","(1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate","Acta Crystallographica Section C","2012","68","8","o308","o310","10.1107/S0108270112029885","","","1.54178","CuKα","","0.0275","0.0263","","","0.0696","0.0706","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018557","18.2223","0.0012","18.2223","0.0012","11.2387","0.0006","90","","90","","120","","3231.9","0.3","210","2","210","2","","","","","","","","3","P 61","P 61","169","CinerinC","(7<i>S</i>,8<i>R</i>,3'<i>R</i>,4'<i>S</i>,5'<i>R</i>)-Δ^8'^-4'-hydroxy- 5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo- 7.3',8.5'-neolignan monohydrate","","- C22 H28 O8 -","- C22 H26 O7 -","- C132 H156 O42 -","6","1","BM3119","Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe","Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae)","Acta Crystallographica Section C","2012","68","8","o320","o322","10.1107/S0108270112030946","","","0.71073","MoKα","","0.0403","0.0364","","","0.0905","0.0923","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018558","6.6313","0.0004","18.5174","0.0011","8.3354","0.0005","90","","91.352","0.001","90","","1023.26","0.11","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,8-dinitro-2,4-dihydro-1<i>H</i>- benzo[<i>b</i>][1,2,4]triazolo[4,3-<i>d</i>][1,4]oxazin-1-one","","- C9 H5 N5 O6 -","- C9 H5 N5 O6 -","- C36 H20 N20 O24 -","4","1","CU3013","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Structures of benzoxazine-fused triazoles as potential diuretic agents","Acta Crystallographica Section C","2012","68","8","o302","o307","10.1107/S0108270112029800","","","0.71073","MoKα","","0.0501","0.0484","","","0.1286","0.1302","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018559","7.2636","0.0008","17.673","0.002","12.0447","0.0013","90","","90","","90","","1546.2","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-(2-hydroxy-4-oxopent-2-en-3-yl)-6,8-dinitro-2,4-dihydro- 1<i>H</i>-benzo[<i>b</i>][1,2,4]triazolo[4,3-<i>d</i>][1,4]oxazin-1-one","","- C14 H11 N5 O8 -","- C14 H11 N5 O8 -","- C56 H44 N20 O32 -","4","1","CU3013","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Structures of benzoxazine-fused triazoles as potential diuretic agents","Acta Crystallographica Section C","2012","68","8","o302","o307","10.1107/S0108270112029800","","","0.71073","MoKα","","0.038","0.0369","","","0.0966","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018560","13.316","0.003","14.195","0.003","9.02","0.002","90","","115.775","0.011","90","","1535.3","0.6","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0468","0.0357","","","0.0806","0.0836","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018561","9.0244","0.0002","9.7278","0.0002","9.7492","0.0002","92.9699","0.001","107.457","0.001","107.551","0.0009","768.85","0.03","180","2","180","2","","","","","","","","5","P 1","P 1","1","NS9544.1320","(1<i>S</i>,5<i>R</i>)-3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C34 H38 N2 O4 S2 -","2","2","EG3093","Frøstrup, Brian; Peters, Dan; Bond, Andrew D.","Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate","Acta Crystallographica Section C","2012","68","8","o298","o301","10.1107/S0108270112030569","","","0.71073","MoKα","","0.0292","0.0281","","","0.0727","0.0737","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018562","7.5","0.0006","12.144","0.002","16.844","0.003","90","","100.625","0.008","90","","1507.8","0.4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II)","","- C15 H15 Br N2 O2 Pt -","- C15 H15 Br N2 O2 Pt -","- C60 H60 Br4 N8 O8 Pt4 -","4","1","EG3094","Tenne, Mario; Unger, Yvonne; Strassner, Thomas","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II)","Acta Crystallographica Section C","2012","68","8","m203","m205","10.1107/S0108270112027783","","","0.71073","MoKα","","0.0315","0.0186","","","0.0319","0.0351","","","","","","1.116","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018563","10.6198","0.0007","10.244","0.0007","16.503","0.001","90","","92.167","0.001","90","","1794.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>- di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate","","- C28 H36 Cl2 Co2 N8 O12 -","- C28 H36 Cl2 Co2 N8 O12 -","- C56 H72 Cl4 Co4 N16 O24 -","2","0.5","FG3263","Maass, John S.; Luck, Rudy L.; Zeller, Matthias","The first dinuclear cobalt complex bridged by acetylamidate ligands: di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>-di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section C","2012","68","8","m233","m234","10.1107/S0108270112031964","","","0.71073","MoKα","","0.0482","0.0367","","","","0.0853","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018564","4.1871","0.0001","21.1132","0.0006","4.3912","0.0001","90","","90","","90","","388.196","0.017","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","dilanthanum lithium hexagermanide","","- Ge11.58 La4 Li2 -","- Ge11.584 La4 Li2 -","- Ge11.584 La4 Li2 -","1","0.0625","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0244","0.0244","","","0.0586","0.0586","","","","","","1.195","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018565","4.1462","0.0001","21.0674","0.0006","4.3704","0.0001","90","","90","","90","","381.753","0.017","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","dilanthanum lithium tetragermanium disilicide","","- Ge4 La2 Li Si2 -","- Ge4 La2 Li Si2 -","- Ge8 La4 Li2 Si4 -","2","0.125","FN3108","Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr","Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~","Acta Crystallographica Section C","2012","68","8","i60","i64","10.1107/S0108270112031526","","","0.71073","MoKα","","0.0204","0.0204","","","0.0445","0.0445","","","","","","1.202","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018566","12.8896","0.0004","8.0048","0.0002","24.53","0.0005","90","","121.19","0.001","90","","2165.13","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[diaquabis(1-naphthoato-κ<i>O</i>)magnesium(II)]-μ-aqua] dihydrate]","","- C22 H24 Mg O9 -","- C22 H24 Mg O9 -","- C88 H96 Mg4 O36 -","4","1","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.1395","0.0587","","","0.1201","0.1497","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018567","21.079","0.001","11.441","0.0006","7.72","0.0003","90","","93.994","0.003","90","","1857.27","0.15","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[diaquacalcium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 Ca O6 -","- C22 H18 Ca O6 -","- C88 H72 Ca4 O24 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.0556","0.0358","","","0.0713","0.0773","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018568","21.274","0.0019","11.3397","0.001","7.9619","0.0005","90","","94.52","0.004","90","","1914.8","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[diaquastrontium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 O6 Sr -","- C22 H18 O6 Sr -","- C88 H72 O24 Sr4 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.71073","MoKα","","0.0676","0.0453","","","0.0912","0.0996","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018569","20.464","0.003","11.9699","0.0015","8.2812","0.001","90","","90","","90","","2028.5","0.5","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>catena</i>-poly[[diaquabarium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C22 H18 Ba O6 -","- C22 H18 Ba O6 -","- C88 H72 Ba4 O24 -","4","0.5","FN3109","Arlin, Jean-Baptiste; Kennedy, Alan R.","Alkaline earth metal salts of 1-naphthoic acid","Acta Crystallographica Section C","2012","68","8","m213","m218","10.1107/S0108270112030399","","","0.8252","synchrotron","","0.0429","0.0414","","","0.1243","0.1259","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018570","13.0728","0.0002","15.9452","0.0003","19.4565","0.0004","75.217","0.001","75.262","0.001","74.2","0.001","3697.98","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato- κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate","","- C91.5 H96 Al N3 O3 -","- C91.5 H96 Al N3 O3 -","- C183 H192 Al2 N6 O6 -","2","1","GZ3214","Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.","Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato-κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate","Acta Crystallographica Section C","2012","68","8","m226","m228","10.1107/S0108270112031952","","","0.71073","MoKα","","0.1268","0.0764","","","0.1376","0.1547","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018571","14.1516","0.0002","7.0064","0.0001","18.3134","0.0002","90","","90","","90","","1815.81","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(9-Fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C88 H64 F8 N8 O24 -","8","1","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0624","0.0437","","","0.1109","0.1226","","","","","","1.053","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018572","9.4306","0.0001","14.8892","0.0002","21.4949","0.0002","98.764","0.001","97.61","0.001","94.013","0.001","2944.13","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(9-Chloro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C132 H96 Cl12 N12 O36 -","12","6","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0547","0.0419","","","0.0981","0.1073","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018573","11.2228","0.0003","10.0097","0.0003","18.7285","0.0004","90","","90","","90","","2103.9","0.1","295","2","295","2","98","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>N</i>,<i>N</i>-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0445","0.041","","","0.1117","0.1148","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018574","20.0403","0.0008","10.7329","0.0004","11.112","0.0005","90","","103.78","0.004","90","","2321.29","0.17","295","2","295","2","98","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>N</i>,<i>N</i>-dimethylglycine hemihydrate","2-(Dimethylamino)acetic acid hemihydrate","","- C4 H10 N O2.5 -","- C4 H10 N O2.5 -","- C64 H160 N16 O40 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0548","0.0422","","","0.1095","0.119","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018575","31.688","0.002","6.7674","0.0005","13.146","0.001","90","","106.545","0.006","90","","2702.4","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-({[4-(dimethylamino)phenyl]imino}methyl)-4-nitrophenol","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","1","LG3082","Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari","Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols","Acta Crystallographica Section C","2012","68","8","o279","o282","10.1107/S0108270112025589","","","0.71073","MoKα","","0.1718","0.0816","","","0.1394","0.1665","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018576","6.5848","0.0001","22.2544","0.0004","10.8735","0.0002","90","","106.811","0.001","90","","1525.32","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-({[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","1","LG3082","Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari","Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols","Acta Crystallographica Section C","2012","68","8","o279","o282","10.1107/S0108270112025589","","","0.71073","MoKα","","0.0859","0.0556","","","0.111","0.1228","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018577","9.5231","0.0014","9.5231","0.0014","15.633","0.002","90","","90","","120","","1227.8","0.3","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium diaquacobalt(II) <i>catena</i>-borodiphosphate 0.48-hydrate","","- B Co H4.96 K O10.48 P2 -","- B Co K0.999 O10.48 P2 -","- B6 Co6 K5.994 O62.88 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.0377","0.0374","","","0.0947","0.095","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018578","9.472","0.0015","9.472","0.0015","15.872","0.006","90","","90","","120","","1233.2","0.5","293","2","293","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","Potassium calcium diaquacobalt(II) <i>catena</i>-borodiphosphate monohydrate","","- B Ca0.42 Co H6 K0.17 O11 P2 -","- B Ca0.418 Co H4 K0.172 O11 P2 -","- B6 Ca2.508 Co6 H24 K1.032 O66 P12 -","6","0.5","LG3086","Guesmi, Abderrahmen; Driss, Ahmed","KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes","Acta Crystallographica Section C","2012","68","8","i55","i59","10.1107/S0108270112030284","","","0.71073","MoKα","","0.029","0.0261","","","0.0684","0.0705","","","","","","0.984","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018579","7.156","0.0005","9.8692","0.0006","12.9585","0.0008","95.853","0.001","90.544","0.001","95.643","0.001","905.82","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~- 2-sulfonatobutanedioato)copper(II)sodium(I)]","","- C28 H34 Cu2 N4 Na2 O20 S2 -","- C28 H34 Cu2 N4 Na2 O20 S2 -","- C28 H34 Cu2 N4 Na2 O20 S2 -","1","0.5","LG3089","Fu, Jiang-Hong; Wang, Yu-Ling; Chen, Ying; Hu, Chang-Hui; Tang, Li","A one-dimensional heterometallic coordination polymer with a three-dimensional supramolecular framework: poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~-2-sulfonatobutanedioato)copper(II)sodium(I)]","Acta Crystallographica Section C","2012","68","8","m209","m212","10.1107/S0108270112030909","","","0.71073","MoKα","","0.042","0.032","","","0.0805","0.086","","","","","","1.007","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2018580","6.1986","0.0003","24.547","0.0012","8.1004","0.0004","90","","95.37","0.004","90","","1227.12","0.1","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","physcion","7-methoxy-2-methyl-4,5-dihydroxyanthracene-9,10-dione","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","MX3079","Hopf, Henning; Jones, Peter G.; Goclik, Eva; Aust, Pauline; Rödiger, Johanna","A new polymorph of physcion","Acta Crystallographica Section C","2012","68","8","o317","o319","10.1107/S010827011203020X","","","1.54184","CuKα","","0.0468","0.0432","","","0.1219","0.1256","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018581","22.1562","0.0002","6.9556","0.0007","25.0366","0.0005","90","","90","","90","","3858.4","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ag4 N2 O4 S2 -","- C16 H16 Ag4 N2 O4 S2 -","- C128 H128 Ag32 N16 O32 S16 -","8","1","QS3015","Sun, Di; Yan, Zhi-Hao","A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands","Acta Crystallographica Section C","2012","68","8","m229","m232","10.1107/S0108270112031125","","","0.71073","MoKα","","0.0647","0.0439","","","0.0816","0.1128","","","","","","1.195","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018582","5.709","0.002","10.284","0.003","32.795","0.009","90","","90","","90","","1925.4","1","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Histdinium inosine 3':5'-cyclic phosphate","5-(2-amino-2-carboxyethyl)-1<i>H</i>-imidazol-3-ium 7-hydroxy-2-oxo-6-(6-oxo-6,9-dihydro-1<i>H</i>-purin-9-yl)-4a,6,7,7a-tetrahydro- 4<i>H</i>-1,3,5,2λ^5^-furo[3,2-<i>d</i>][1,3,2λ^5^]dioxaphosphinin-2-olate","","- C16 H20 N7 O9 P -","- C16 H20 N7 O9 P -","- C64 H80 N28 O36 P4 -","4","1","QS3016","Ślepokura, Katarzyna","The first 3':5'-cyclic nucleotide‒amino acid complex: <small>L</small>-His‒cIMP","Acta Crystallographica Section C","2012","68","8","o311","o316","10.1107/S0108270112030041","","","0.71073","MoKα","","0.0323","0.0296","","","0.0762","0.0771","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018583","11.035","0.0003","10.1713","0.0003","11.8533","0.0003","90","","93.678","0.002","90","","1327.68","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","PH46 (S)-(-)-methylbenzylamine salt","(1<i>S</i>)-1-Phenylethanaminium 4-{[(1<i>S</i>,2<i>S</i>)-1-hydroxy-2,3-dihydro-1<i>H</i>,1'<i>H</i>- [2,2'-biinden]-2-yl]methyl}benzoate","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C68 H66 N2 O6 -","2","1","SK3440","Frampton, Christopher S.; Zhang, Tao; Scalabrino, Gaia A.; Frankish, Neil; Sheridan, Helen","(1<i>S</i>)-1-Phenylethanaminium 4-{[(1<i>S</i>,2<i>S</i>)-1-hydroxy-2,3-dihydro-1<i>H</i>,1'<i>H</i>-[2,2'-biinden]-2-yl]methyl}benzoate","Acta Crystallographica Section C","2012","68","8","o323","o326","10.1107/S0108270112031265","","","1.54178","CuKα","","0.0358","0.0354","","","0.0973","0.098","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018584","5.989","0.001","5.663","0.001","22.282","0.001","90","","97.07","0.01","90","","749.96","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","terebic acid","(±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","UK3046","Santos, L. M.; Legendre, A. O.; Villis, P. C. M.; Viegas Jr, C.; Doriguetto, A. C.","(±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure","Acta Crystallographica Section C","2012","68","8","o294","o297","10.1107/S0108270112029563","","","0.71073","MoKα","","0.0601","0.0423","","","","0.1148","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018585","11.9699","0.0018","12.3754","0.0019","12.4793","0.0019","104.369","0.003","95.465","0.003","95.802","0.003","1767.6","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","Pd1a-Qu","(<i>SP</i>-4‒4)-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]- chlorido(quinoline-κ<i>N</i>)palladium(II) acetone hemisolvate","","- C18.5 H20 Cl N2 O0.5 Pd -","- C18.5 H20 Cl N2 O0.5 Pd -","- C74 H80 Cl4 N8 O2 Pd4 -","4","4","YF3015","Raven, William; Kalf, Irmgard; Englert, Ulli","Pseudosymmetry in a cyclopalladated compound","Acta Crystallographica Section C","2012","68","8","m223","m225","10.1107/S0108270112030776","","","0.71073","MoKα","","0.0706","0.0535","","","0.1062","0.1157","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018586","6.1869","0.0012","7.2241","0.0014","31.941","0.006","90","","90.42","0.03","90","","1427.6","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4- bromophenylsulfonyl)dithiocarbimato]dipotassium]","","- C7 H8 Br K2 N O4 S3 -","- C7 H8 Br K2 N O4 S3 -","- C28 H32 Br4 K8 N4 O16 S12 -","4","1","BG3152","Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]","Acta Crystallographica Section C","2012","68","11","m312","m316","10.1107/S0108270112040589","","","0.71073","MoKα","","0.1472","0.0628","","","0.0941","0.1096","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018587","16.155","0.003","6.3794","0.0013","14.549","0.003","90","","91.86","0.03","90","","1498.6","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-aqua-[μ~4~-<i>N</i>-(4- iodophenylsulfonyl)dithiocarbimato]dipotassium]","","- C7 H8 I K2 N O4 S3 -","- C7 H8 I K2 N O4 S3 -","- C28 H32 I4 K8 N4 O16 S12 -","4","1","BG3152","Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.","Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]","Acta Crystallographica Section C","2012","68","11","m312","m316","10.1107/S0108270112040589","","","0.71073","MoKα","","0.0645","0.032","","","0.0535","0.0592","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018588","5.6353","0.0014","30.987","0.008","10.817","0.003","90","","95.232","0.004","90","","1881","0.9","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,4,6-Tri-<i>O</i>-acetyl-1,2-<i>O</i>-[1-(<i>exo</i>-ethoxy)ethylidene]- β-D-mannopyranose 0.11-hydrate","","- C16 H24.22 O10.11 -","- C16 H24.222 O10.111 -","- C64 H96.888 O40.444 -","4","2","BI3042","Liu, Ya-Ling; Zou, Pei; Wu, Hao; Xie, Min-Hao; Luo, Shi-Neng","3,4,6-Tri-<i>O</i>-acetyl-1,2-<i>O</i>-[1-(<i>exo</i>-ethoxy)ethylidene]-β-<small>D</small>-mannopyranose 0.11-hydrate","Acta Crystallographica Section C","2012","68","9","o338","o340","10.1107/S0108270112032076","","","0.71073","MoKα","","0.0724","0.0483","","","0.0828","0.0921","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018589","10.5118","0.0009","11.0929","0.001","11.2047","0.001","72.749","0.002","75.862","0.002","81.398","0.002","1205.77","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Benzenesulfonate boron subphthalocyanine","(benzenesulfonato)(subphthalocyaninato)boron","","- C30 H17 B N6 O3 S -","- C30 H17 B N6 O3 S -","- C60 H34 B2 N12 O6 S2 -","2","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","0.71073","MoKα","","0.0604","0.0381","","","0.0852","0.0937","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018590","13.8349","0.0007","13.8988","0.0008","14.3887","0.0008","90","","112.466","0.004","90","","2556.8","0.3","150","1","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-nitrobenzenesulfonate boron subphthalocyanine","(3-nitrobenzenesulfonato)(subphthalocyaninato)boron","","- C30 H16 B N7 O5 S -","- C30 H16 B N7 O5 S -","- C120 H64 B4 N28 O20 S4 -","4","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","1.54178","CuKα","","0.0887","0.0738","","","0.2022","0.2162","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018591","11.3713","0.0007","11.6114","0.0007","16.276","0.0011","90","","94.774","0.004","90","","2141.6","0.2","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","methanesulfonate boron subphthalocyanine","(methanesulfonato)(subphthalocyaninato)boron","","- C25 H15 B N6 O3 S -","- C25 H15 B N6 O3 S -","- C100 H60 B4 N24 O12 S4 -","4","1","BI3045","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","Sulfonate pseudohalides of boron subphthalocyanine","Acta Crystallographica Section C","2012","68","11","o459","o464","10.1107/S0108270112040425","","","1.54178","CuKα","","0.0443","0.0402","","","0.0992","0.1008","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018592","10.542","0.002","17.931","0.004","17.136","0.003","90","","107.51","0.03","90","","3089.1","1.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<i>D</i>- threopentofuranosyl]thymine ethyl acetate 0.25-solvate","","- C32 H34 N2 O7.5 -","- C32 H34 N2 O7.5 -","- C128 H136 N8 O30 -","4","2","BI3048","Zou, Pei; Wu, Hao; Liu, Yaling; Xie, Minhao; Wang, Hongyong","{5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<small>D</small>-threopentofuranosyl}thymine ethyl acetate 0.25-solvate","Acta Crystallographica Section C","2012","68","11","o472","o474","10.1107/S010827011204351X","","","0.71073","MoKα","","0.0621","0.0557","","","0.1457","0.151","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018593","7.3557","0.0004","8.363","0.0004","11.7128","0.0006","100.453","0.004","97.232","0.004","104.042","0.004","676.4","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0466","0.0347","","","0.0844","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018594","11.7119","0.0005","6.6705","0.0003","17.2898","0.0008","90","","109.482","0.005","90","","1273.42","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(4-methoxyphenyl)-cyclohexane-1,2-diimide","2-(4-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0491","0.0347","","","0.0851","0.0882","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018595","6.4958","0.0002","12.5236","0.0004","16.1281","0.0006","90","","90","","90","","1312.03","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(3-carboxyphenyl)cyclohexane-1,2-diimide","<i>cis</i>-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0497","0.0375","","","0.0835","0.0858","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018596","13.077","0.002","6.6713","0.0007","16.432","0.002","90","","97.982","0.013","90","","1419.6","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-<i>cis</i>-4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol- 2-yl)benzoic acid monohydrate","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.1064","0.0518","","","0.1217","0.1322","","","","","","0.853","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018597","4.812","0.0003","14.3729","0.0007","9.9178","0.0005","90","","94.037","0.002","90","","684.24","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-1,3-thiazole-5-carboxylic acid","","- C6 H7 N O2 S -","- C6 H7 N O2 S -","- C24 H28 N4 O8 S4 -","4","1","CU3014","Hazra, Dipak K.; Mukherjee, Monika; Helliwell, Madeleine; Mukherjee, Alok K.","2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100K and Hirshfeld surface analysis","Acta Crystallographica Section C","2012","68","11","o452","o455","10.1107/S010827011204142X","","","0.71073","MoKα","","0.0325","0.0318","","","0.0906","0.0912","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018598","10.6137","0.0014","8.3339","0.001","34.35","0.004","90","","90","","90","","3038.4","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cycyclen","2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol","","- C14 H30 N4 O -","- C14 H30 N4 O -","- C112 H240 N32 O8 -","8","1","DT3014","de Sousa, Alvaro S.; Sannasy, Denzel; Fernandes, Manuel A.; Marques, Helder M.","Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)","Acta Crystallographica Section C","2012","68","10","o383","o386","10.1107/S0108270112037195","","","0.71073","MoKα","","0.0723","0.0449","","","0.1026","0.106","","","","","","0.866","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018599","14.6523","0.0006","9.9342","0.0005","16.0953","0.0006","90","","99.355","0.004","90","","2311.65","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate","","- C21 H21 N O7 S3 -","- C21 H21 N O7 S3 -","- C84 H84 N4 O28 S12 -","4","1","DT3015","Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate: a new member of the (<i>R</i>SO~2~)ON(SO~2~<i>R</i>)~2~ family","Acta Crystallographica Section C","2012","68","10","o417","o420","10.1107/S0108270112039182","","","0.71073","MoKα","","0.1308","0.0524","","","0.0837","0.1021","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018600","5.8256","0.0005","12.5648","0.0012","12.7464","0.0011","90","","100.303","0.007","90","","917.96","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chelidamic acid methanol monosolvate","4-hydroxypyridine-2,6-dicarboxylic acid methanol monosolvate","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C32 H36 N4 O24 -","4","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0424","0.0361","","","0.0921","0.0958","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018601","7.3688","0.0008","11.1416","0.0012","14.3584","0.0015","69.025","0.008","79.438","0.009","72.455","0.009","1045.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimethylammonium chelidamate","dimethylammonium 6-carboxy-4-hydroxypyridine-2-carboxylate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0553","0.0426","","","0.1083","0.1143","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018602","4.746","0.0004","10.4917","0.0009","11.9787","0.0011","103.592","0.007","97.606","0.007","101.651","0.007","557.59","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","chelidamic acid dimethyl sulfoxide monosolvate","4-hydroxypyridine-2,6-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C9 H11 N O6 S -","- C9 H11 N O6 S -","- C18 H22 N2 O12 S2 -","2","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0288","0.0279","","","0.0774","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018603","17.241","0.003","6.1519","0.0012","20.71","0.004","90","","107.96","0.03","90","","2089.6","0.8","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","chelidamic acid dimethyl ester monohydrate","dimethyl 4-hydroxypyridine-2,6-dicarboxylate monohydrate","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C72 H88 N8 O48 -","8","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0582","0.0393","","","0.093","0.1002","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018604","11.7374","0.001","11.6511","0.001","7.5484","0.0008","90","","90","","90","","1032.27","0.17","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-chlorido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Cd Cl2 N4 -","- C8 H6 Cd Cl2 N4 -","- C32 H24 Cd4 Cl8 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.0328","0.0285","","","0.0717","0.0734","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018605","11.7549","0.0008","11.9619","0.0008","7.869","0.0006","90","","90","","90","","1106.47","0.14","223","2","223","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[di-μ-bromido-μ-(4,4'-bipyridazine)-κ^2^<i>N</i>^1^:<i>N</i>^1'^- cadmium(II)]","","- C8 H6 Br2 Cd N4 -","- C8 H6 Br2 Cd N4 -","- C32 H24 Br8 Cd4 N16 -","4","0.25","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.025","0.0238","","","0.0611","0.0615","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018606","8.0106","0.0006","14.3621","0.0013","7.685","0.0006","90","","115.855","0.008","90","","795.65","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetra-μ-iodido-μ~4~-(4,4'-bipyridazine)- κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^1'^:<i>N</i>^2'^-dicadmium(II)]","","- C8 H6 Cd2 I4 N4 -","- C8 H6 Cd2 I4 N4 -","- C16 H12 Cd4 I8 N8 -","2","0.5","EG3098","Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.","Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?","Acta Crystallographica Section C","2012","68","11","m295","m299","10.1107/S0108270112038048","","","0.71073","MoKα","","0.0199","0.0173","","","0.0393","0.04","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018607","10.7361","0.0002","17.1215","0.0002","15.6226","0.0002","90","","108.009","0.0008","90","","2731.03","0.07","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans-[PtCl{E-HN=C(Me)OMe}~2~(PPh~3~)]Cl","<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane- κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate","","- C24 H31 Cl2 N2 O3 P Pt -","- C24 H31 Cl2 N2 O3 P Pt -","- C96 H124 Cl8 N8 O12 P4 Pt4 -","4","1","EG3099","Giardina-Papa, Daniela; Intini, Francesco Paolo; Natile, Giovanni; Pacifico, Concetta","<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate","Acta Crystallographica Section C","2012","68","11","m300","m302","10.1107/S0108270112040826","","","0.71073","MoKα","","0.0695","0.0358","","","0.0569","0.0648","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018608","16.203","0.002","5.9721","0.0009","22.156","0.003","90","","99.223","0.002","90","","2116.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]\ zinc(II)]","","- C20 H24 N6 O4 Zn -","- C20 H24 N6 O4 Zn -","- C80 H96 N24 O16 Zn4 -","4","0.5","EG3100","Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing; Tan, Chun-Yun","A fivefold interpenetrating diamond-like three-dimensional metal‒organic framework: poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)]","Acta Crystallographica Section C","2012","68","11","m309","m311","10.1107/S0108270112042941","","","0.71073","MoKα","","0.0496","0.0379","","","0.0897","0.0943","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018609","14.306","0.003","26.675","0.005","14.436","0.003","90","","99.26","0.03","90","","5437","2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]","","- C98 H98 N18 O40 P8 -","- C98 H98 N18 O40 P8 -","- C196 H196 N36 O80 P16 -","2","0.5","EM3051","Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta","The supramolecular architecture of tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]","Acta Crystallographica Section C","2012","68","9","o351","o354","10.1107/S0108270112033781","","","0.71073","MoKα","","0.1511","0.0548","","","0.072","0.0851","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018610","11.5954","0.0002","31.7767","0.0006","23.7179","0.0005","90","","99.58","0.001","90","","8617.3","0.3","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine- 1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl- 1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido- triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C43 H40 Fe3 N2 O7 Te2 -","- C43 H40 Fe3 N2 O7 Te2 -","- C344 H320 Fe24 N16 O56 Te16 -","8","2","EM3053","Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl-1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido-triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section C","2012","68","11","m320","m322","10.1107/S0108270112040012","","","0.71073","MoKα","","0.0697","0.0372","","","0.0828","0.0966","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018611","4.6539","0.0006","10.18","0.0012","14.3718","0.0017","82.481","0.005","88.127","0.007","78.604","0.006","661.71","0.14","293","","293","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.1056","0.041","","","0.091","0.1099","","","","","","0.84","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018612","5.3708","0.0002","7.2029","0.0003","16.9507","0.0008","96.461","0.002","93.246","0.002","110.029","0.002","608.98","0.05","120","","120","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.0627","0.037","","","0.0827","0.0911","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018613","5.433","0.0003","7.2863","0.0004","17.0874","0.0009","97.426","0.002","92.884","0.002","108.874","0.002","631.62","0.06","293","","293","","","","","","","","","3","P -1","-P 1","2","","1-<i>n</i>-Butylindeno[2,1-<i>c</i>]pyran-3,9-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","EM3055","Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.","An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione","Acta Crystallographica Section C","2012","68","10","o413","o416","10.1107/S010827011203805X","","","0.71073","MoKα","","0.0927","0.0393","","","0.0825","0.0964","","","","","","0.844","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018614","8.5813","0.0003","22.7241","0.0007","8.8506","0.0003","90","","95.76","0.003","90","","1717.17","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C64 H68 N12 O20 -","4","1","FA3277","Lapidus, Saul H.; Lemmerer, Andreas; Bernstein, Joel; Stephens, Peter W.","Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)","Acta Crystallographica Section C","2012","68","9","o335","o337","10.1107/S0108270112029022","powder diffraction","","0.6999","synchrotron","","","","","","","","","","1.475","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018615","26.6479","0.0007","10.7706","0.0003","16.4983","0.0005","90","","99.187","0.003","90","","4674.5","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis{4'-[4-(methylsulfanyl)phenyl]- 4,2':6',4''-terpyridine-κ<i>N</i>^1^}zinc(II)","","- C54 H48 N6 O4 S2 Zn -","- C54 H48 N6 O4 S2 Zn -","- C216 H192 N24 O16 S8 Zn4 -","4","0.5","FA3281","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate","Acta Crystallographica Section C","2012","68","10","m269","m274","10.1107/S010827011203483X","","","0.71073","MoKα","","0.0577","0.0366","","","0.0945","0.0993","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018616","14.1522","0.0003","13.4408","0.0003","23.3887","0.0005","90","","101.342","0.002","90","","4362.04","0.17","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine- κ^2^<i>N</i>^1^:<i>N</i>^1''^}bis[bis(acetylacetonato- κ^2^<i>O</i>,<i>O</i>')zinc(II)]","","- C42 H45 N3 O8 S Zn2 -","- C42 H45 N3 O8 S Zn2 -","- C168 H180 N12 O32 S4 Zn8 -","4","1","FA3281","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate","Acta Crystallographica Section C","2012","68","10","m269","m274","10.1107/S010827011203483X","","","0.71073","MoKα","","0.064","0.0339","","","0.0828","0.0874","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018617","10.8298","0.0003","9.9164","0.0003","26.674","0.0008","90","","91.539","0.001","90","","2863.56","0.15","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(2-chloro- 2,2-difluoroacetyl)phosphoric triamide","","- C30 H29 Cl F2 N3 O2 P -","- C30 H29 Cl F2 N3 O2 P -","- C120 H116 Cl4 F8 N12 O8 P4 -","4","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0533","0.0455","","","0.1246","0.1339","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018618","10.0173","0.001","11.2362","0.0008","14.5992","0.0012","99.351","0.006","109.96","0.008","91.135","0.007","1519","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(3- fluorobenzoyl)phosphoric triamide","","- C35 H33 F N3 O2 P -","- C35 H33 F N3 O2 P -","- C70 H66 F2 N6 O4 P2 -","2","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0605","0.0481","","","0.1321","0.1433","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018619","11.9526","0.0011","12.2897","0.001","12.7463","0.0012","102.074","0.007","104.462","0.008","118.262","0.009","1474.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrabenzyl-<i>N</i>''-(3,5- difluorobenzoyl)phosphoric triamide","","- C35 H32 F2 N3 O2 P -","- C35 H32 F2 N3 O2 P -","- C70 H64 F4 N6 O4 P2 -","2","1","FA3282","Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi","Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core","Acta Crystallographica Section C","2012","68","10","o399","o404","10.1107/S0108270112036396","","","0.71073","MoKα","","0.0543","0.0422","","","0.1082","0.1162","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018620","15.6089","0.0009","6.7055","0.0002","14.2492","0.0008","90","","111.044","0.004","90","","1391.93","0.13","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-1-[(2-methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene","","- C12 H18 O3 S2 -","- C12 H18 O3 S2 -","- C48 H72 O12 S8 -","4","1","FA3283","Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.","<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex","Acta Crystallographica Section C","2012","68","9","m238","m241","10.1107/S0108270112032192","","","0.71073","MoKα","","0.0297","0.0253","","","0.0662","0.0681","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018621","10.6595","0.0005","12.9818","0.0007","12.2828","0.0008","90","","96.416","0.004","90","","1689.04","0.16","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-dichlorido{1-[(2-methoxyethyl)sulfanyl]-2-[(2- methoxyethyl)sulfinyl]benzene-κ^2^<i>S</i>,<i>S</i>'}palladium(II)","","- C12 H18 Cl2 O3 Pd S2 -","- C12 H18 Cl2 O3 Pd S2 -","- C48 H72 Cl8 O12 Pd4 S8 -","4","1","FA3283","Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.","<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex","Acta Crystallographica Section C","2012","68","9","m238","m241","10.1107/S0108270112032192","","","0.71073","MoKα","","0.0271","0.0212","","","0.0523","0.054","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018622","15.7098","0.00017","18.8926","0.0002","15.03575","0.00016","90","","90","","90","","4462.6","0.08","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clarithromycin trihydrate","clarithromycin trihydrate","","- C38 H75 N O16 -","- C38 H75 N O16 -","- C152 H300 N4 O64 -","4","1","FA3285","van de Streek, Jacco","Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate","Acta Crystallographica Section C","2012","68","9","o369","o372","10.1107/S0108270112035536","powder diffraction","","1.3","synchrotron","","","","","","","","","","1.193","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018623","10.3504","0.0007","16.0908","0.0011","24.4828","0.0016","90","","90","","90","","4077.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[(2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate","","- C18 H31 N2 O5.5 S0.5 -","- C18 H31 N2 O5.5 S0.5 -","- C144 H248 N16 O44 S4 -","8","2","FG3257","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Fruziński, Andrzej; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Novel pseudopolymorph of the active metabolite of perindopril","Acta Crystallographica Section C","2012","68","9","o341","o343","10.1107/S0108270112032349","","","1.54178","CuKα","","0.0269","0.0268","","","0.0701","0.0702","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018624","14.9815","0.0001","10.9355","0.0001","15.549","0.0002","90","","113.107","0.001","90","","2343.03","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-methylphenyl)-2,2'-thiodibenzamide","","- C28 H24 N2 O2 S -","- C28 H24 N2 O2 S -","- C112 H96 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0406","0.0346","","","0.0902","0.0951","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018625","20.6504","0.0003","15.3378","0.0002","7.5101","0.0001","90","","95.52","0.001","90","","2367.66","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-bis(2-bromophenyl)-2,2'-thiodibenzamide","","- C26 H18 Br2 N2 O2 S -","- C26 H18 Br2 N2 O2 S -","- C104 H72 Br8 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0599","0.048","","","0.1297","0.1397","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018626","7.8786","0.0001","17.3269","0.0002","18.396","0.0002","90","","95.787","0.001","90","","2498.47","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-bis(2-ethylphenyl)-2,2'-thiodibenzamide","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C120 H112 N8 O8 S4 -","4","1","FG3262","Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.","Three anilides of 2,2'-thiodibenzoic acid","Acta Crystallographica Section C","2012","68","10","o387","o391","10.1107/S0108270112035962","","","1.54178","CuKα","","0.0364","0.0345","","","0.0898","0.0917","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018627","3.7413","0.0007","7.8684","0.0009","15.4092","0.0013","90","","91.54","0.03","90","","453.45","0.11","153","2","153","2","","","","","","","","3","P 1 c 1","P -2yc","7","","5-[4-(1,2,4-Triazol-4-yl)phenyl]-1<i>H</i>-tetrazole","","- C9 H7 N7 -","- C9 H7 N7 -","- C18 H14 N14 -","2","1","FG3264","Lysenko, Andrey B.","The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure","Acta Crystallographica Section C","2012","68","10","m291","m294","10.1107/S0108270112038498","","","0.71073","MoKα","","0.0795","0.0487","","","0.0931","0.1042","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018628","7.6554","0.0005","7.8589","0.0007","9.0762","0.0008","98.926","0.002","98.066","0.003","108.354","0.002","501.47","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[[diaquacadmium(II)]bis{μ~2~-5-[4-(1,2,4-triazol-4- yl)phenyl]tetrazol-1-ato-κ^2^<i>N</i>^1^:<i>N</i>^1'^}]","","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","- C18 H16 Cd N14 O2 -","1","0.5","FG3264","Lysenko, Andrey B.","The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure","Acta Crystallographica Section C","2012","68","10","m291","m294","10.1107/S0108270112038498","","","0.71073","MoKα","","0.0252","0.0238","","","0.0499","0.0504","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018629","11.649","0.002","12.702","0.003","17.72","0.003","90","","95.41","0.03","90","","2610.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5- nitroisophthalato)cadmium(II)]","","- C32 H19 Cd N3 O6 -","- C32 H19 Cd N3 O6 -","- C128 H76 Cd4 N12 O24 -","4","1","FG3267","Ye, Jun-Wei; Zhao, Li-Mei; Li, Wei; Ning, Gui-Ling","A new two-dimensional cadmium metal‒organic framework: poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5-nitroisophthalato)cadmium(II)]","Acta Crystallographica Section C","2012","68","11","m306","m308","10.1107/S0108270112040966","","","0.71073","MoKα","","0.0441","0.0324","","","0.0748","0.0795","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018630","7.8754","0.0006","8.1504","0.0006","10.0893","0.0007","108.637","0.003","96.327","0.003","104.562","0.003","580.98","0.08","130","2","130","2","","","","","","","","4","P 1","P 1","1","5-Ethynyl-2'-deoxycytidine","4-Amino-1-(2-deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-5- ethynylpyrimidin-2(1<i>H</i>)-one","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C22 H26 N6 O8 -","2","2","FG3269","Seela, Frank; Mei, Hui; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans","5-Ethynyl-2'-deoxycytidine: a DNA building block with a `clickable' side chain","Acta Crystallographica Section C","2012","68","10","o395","o398","10.1107/S0108270112038267","","","0.71073","MoKα","","0.029","0.0287","","","0.0793","0.0799","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018631","8.304","0.003","9.684","0.001","17.802","0.002","90","","93.89","0.01","90","","1428.3","0.6","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Carboxy-3-(pyridin-1-ium-2-yl)-6-(pyridin-2-yl)pyrazine-2-carboxylate","","- C16 H10 N4 O4 -","- C16 H10 N4 O4 -","- C64 H40 N16 O16 -","4","1","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0867","0.0613","","","0.1441","0.165","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018632","6.857","0.001","8.576","0.001","9.187","0.002","63.4","0.01","81.94","0.01","87.47","0.01","478.19","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(3,6-Dicarboxypyrazine-2,5-diyl)bis(pyridin-1-ium) dichloride dihydrate","","- C16 H16 Cl2 N4 O6 -","- C16 H16 Cl2 N4 O6 -","- C16 H16 Cl2 N4 O6 -","1","0.5","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0399","0.0338","","","0.0887","0.0927","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018633","13.067","0.001","6.138","0.001","14.453","0.001","90","","103.59","0.01","90","","1126.8","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,6-Bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid dimethyl sulfoxide disolvate","","- C20 H22 N4 O6 S2 -","- C20 H22 N4 O6 S2 -","- C40 H44 N8 O12 S4 -","2","0.5","FG3272","Wang, Yi; Stoeckli-Evans, Helen","The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid","Acta Crystallographica Section C","2012","68","11","o431","o435","10.1107/S0108270112039534","","","0.71073","MoKα","","0.0797","0.041","","","0.0818","0.0925","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018634","8.1645","0.0002","10.0136","0.0002","23.2429","0.0005","90","","90","","90","","1900.25","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2yl}azaniumyl)pentanoate monohydrate","","- C17 H30 N2 O6 -","- C17 H30 N2 O6 -","- C68 H120 N8 O24 -","4","1","FG3275","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Perindoprilat monohydrate","Acta Crystallographica Section C","2012","68","11","o443","o446","10.1107/S0108270112041583","","","1.54178","CuKα","","0.027","0.0269","","","0.0688","0.0689","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018635","7.6822","0.0008","19.039","0.002","19.1684","0.0018","90","","107.432","0.004","90","","2674.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine- 2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]","","- C50 H62 Cl2 N14 Ni O8 -","- C50 H62 Cl2 N14 Ni O8 -","- C100 H124 Cl4 N28 Ni2 O16 -","2","0.5","FN3111","Guo, Yi-Ping; Li, Dong-Ying; Li, Guo-Ting","Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]","Acta Crystallographica Section C","2012","68","10","m284","m286","10.1107/S010827011203750X","","","0.71073","MoKα","","0.069","0.0433","","","0.0984","0.1111","","","","","","1.081","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018636","15.592","0.003","4.3936","0.0008","17.713","0.003","90","","100.746","0.003","90","","1192.1","0.4","187","2","187","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18- <i>b</i>''<i>c</i>''<i>d</i>'':23,24- <i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran","","- C40 H16 O4 -","- C40 H16 O4 -","- C80 H32 O8 -","2","0.5","FN3112","Fouad, Farid; Bunge, Scott D.; Ellman, Brett D.; Twieg, Robert J.","Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18-<i>b</i>''<i>c</i>''<i>d</i>'':23,24-<i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran","Acta Crystallographica Section C","2012","68","11","o465","o467","10.1107/S0108270112040681","","","0.71073","MoKα","","0.0738","0.0415","","","0.0883","0.1055","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018637","23.6234","0.0011","12.5467","0.0006","16.0458","0.0007","90","","128.934","0.002","90","","3699.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","dipotassium bis[hexaaquanickel(II)] tris(μ~2~-methylenediphosphonato)tripalladium(II) hexahydrate","","- C3 H42 K2 Ni2 O36 P6 Pd3 -","- C3 H35.386 K2 Ni2 O36 P6 Pd3 -","- C12 H141.544 K8 Ni8 O144 P24 Pd12 -","4","0.5","KU3068","Babaryk, Artem A.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Dudko, Anatolij V.; Pekhnyo, Vasily I.","Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic (medronic) acid comprising `handbell-like' [Pd{μ-CH~2~(PO~3~)~2~}]~3~ units","Acta Crystallographica Section C","2012","68","9","m242","m245","10.1107/S0108270112031368","","","0.71073","MoKα","","0.0243","0.0218","","","0.051","0.0521","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018638","8.845","0.001","8.845","0.001","8.845","0.001","90","","90","","90","","691.98","0.14","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Dinickel ditin zinc","","- Ni1.88 Sn2.15 Zn1.1 -","- Ni1.88425 Sn2.148 Zn1.102 -","- Ni15.074 Sn17.184 Zn8.816 -","8","0.166667","KU3074","Schmetterer, Clemens; Rajamohan, Divakar; Effenberger, Herta Silvia; Flandorfer, Hans","Ni~2~Sn~2~Zn from single-crystal X-ray diffraction","Acta Crystallographica Section C","2012","68","10","i65","i67","10.1107/S0108270112035627","","","0.71073","MoKα","","0.0175","0.0166","","","0.0407","0.041","","","","","","1.403","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018639","12.1226","0.001","14.6299","0.0012","12.258","0.001","90","","116.862","0.001","90","","1939.4","0.3","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)","","- C21 H17 Cl2 N3 Pd -","- C21 H17 Cl2 N3 Pd -","- C84 H68 Cl8 N12 Pd4 -","4","1","KU3079","Spencer, Lara C.; Guzei, Ilia A.; Segapelo, Tebogo V.; Darkwa, James","Dichlorido{2-[(3,5-diphenyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}palladium(II)","Acta Crystallographica Section C","2012","68","11","m317","m319","10.1107/S0108270112043119","","","0.71073","Mo-Kα","","0.0188","0.018","","","0.0494","0.0501","","","","","","1.046","","","","has coordinates,has Fobs","211395","2020-10-21","18:00:00",""
"2018640","8.07","0.003","15.353","0.003","7.789","0.002","90","","96.08","0.03","90","","959.6","0.5","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-Fluoroisoquinoline-5-sulfonyl chloride","","- C9 H5 Cl F N O2 S -","- C9 H5 Cl F N O2 S -","- C36 H20 Cl4 F4 N4 O8 S4 -","4","1","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.0587","","","","0.1641","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018641","18.907","0.008","7.543","0.003","9.173","0.004","90","","101.88","0.03","90","","1280.2","0.9","292","","292","","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>S</i>)-(-)-4-Fluoro-<i>N</i>-(1-hydroxypropan-2-yl)isoquinoline-5- sulfonamide","","- C12 H13 F N2 O3 S -","- C12 H13 F N2 O3 S -","- C48 H52 F4 N8 O12 S4 -","4","2","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.054","","","","0.1587","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018642","12.379","0.008","19.294","0.014","6.835","0.004","90","","90","","90","","1632.5","1.9","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-4-[(4-Fluoroisoquinolin-5-yl)sulfonyl]-3-methyl-1,4- diazepan-1-ium chloride","","- C15 H19 Cl F N3 O2 S -","- C15 H19 Cl F N3 O2 S -","- C60 H76 Cl4 F4 N12 O8 S4 -","4","1","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.0587","","","","0.1659","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018643","9.851","0.002","18.828","0.002","10.721","0.003","90","","115.26","0.02","90","","1798.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di-μ~3~-ethanolato-diethyltetrakis(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3- olato-κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)tetrazinc(II)","","- C32 H40 O14 Zn4 -","- C32 H40 O14 Zn4 -","- C64 H80 O28 Zn8 -","2","0.5","LG3088","Petrus, Rafał; Sobota, Piotr","Two tetranuclear zinc clusters, [Zn~4~(μ~3~-OEt)~2~(μ~2~-MalO)~4~Et~2~] and [Zn~4~(μ~3~-GueO)~2~(μ~2~-GueO)~2~(μ~2~-MalO)~2~(MalO)~2~]·2C~7~H~8~, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)","Acta Crystallographica Section C","2012","68","10","m275","m280","10.1107/S0108270112036773","","","0.71073","MoKα","","0.0479","0.0358","","","0.0937","0.0975","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018644","10.715","0.003","12.578","0.003","12.794","0.004","92.97","0.03","110.48","0.03","97.61","0.03","1592.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bis(μ~3~-2-ethoxyphenolato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^: <i>O</i>^1^)bis(μ~2~-2-ethoxyphenolato-κ^3^<i>O</i>^1^,<i>O</i>^2^: <i>O</i>^1^)bis(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato- κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)bis(2-methyl-4-oxo-4<i>H</i>- pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)tetrazinc(II) toluene disolvate","","- C70 H72 O20 Zn4 -","- C70 H72 O20 Zn4 -","- C70 H72 O20 Zn4 -","1","0.5","LG3088","Petrus, Rafał; Sobota, Piotr","Two tetranuclear zinc clusters, [Zn~4~(μ~3~-OEt)~2~(μ~2~-MalO)~4~Et~2~] and [Zn~4~(μ~3~-GueO)~2~(μ~2~-GueO)~2~(μ~2~-MalO)~2~(MalO)~2~]·2C~7~H~8~, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)","Acta Crystallographica Section C","2012","68","10","m275","m280","10.1107/S0108270112036773","","","0.71073","MoKα","","0.0728","0.0491","","","0.1356","0.144","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018645","10.5752","0.0002","5.2925","0.0001","13.9229","0.0002","90","","109.078","0.001","90","","736.45","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[(μ~4~-benzene-1,2-dicarboxylato)zinc(II)]","","- C8 H4 O4 Zn -","- C8 H4 O4 Zn -","- C32 H16 O16 Zn4 -","4","1","LG3090","Xiong, Wei-Lu; Liu, Qing-Yan; Zhang, Na; Wang, Leng","A two-dimensional coordination polymer containing a two-dimensional zinc‒carboxylate layer constructed from helical chains: poly[(μ~4~-benzene-1,2-dicarboxylato)zinc(II)]","Acta Crystallographica Section C","2012","68","9","m235","m237","10.1107/S0108270112033045","","","0.71073","MoKα","","0.0268","0.0239","","","0.0621","0.0648","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018646","4.5696","0.0003","24.7384","0.0017","11.7638","0.0008","90","","96.94","0.001","90","","1320.09","0.15","292","","292","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(3,4-dichlorobenzoyl)-1-methylhydrazinecarbodithioate","","- C10 H10 Cl2 N2 O S2 -","- C10 H10 Cl2 N2 O S2 -","- C40 H40 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","0.71073","MoKα","","0.043","0.0337","","","0.0834","0.089","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018647","4.5467","0.0001","13.7623","0.0004","25.7328","0.0007","90","","93.117","0.001","90","","1607.8","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Butyl 2-(3,4-dichlorobenzoyl)-1-methylhydrazinecarbodithioate","","- C13 H16 Cl2 N2 O S2 -","- C13 H16 Cl2 N2 O S2 -","- C52 H64 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","0.71073","MoKα","","0.0496","0.034","","","0.0764","0.0827","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018648","13.3534","0.001","11.6813","0.0008","8.9908","0.0007","90","","99.995","0.003","90","","1381.15","0.18","290","","290","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,4-dichloro-<i>N</i>-(2-sulfanylidene-1,3-thiazinan-3-yl)benzamide","","- C11 H10 Cl2 N2 O S2 -","- C11 H10 Cl2 N2 O S2 -","- C44 H40 Cl8 N8 O4 S8 -","4","1","OV3016","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylhydrazine‒dithiocarbazoate tuberculostatics. I. <i>N</i>'-Methyl-substituted 3,4-dichlorobenzoyl monoesters","Acta Crystallographica Section C","2012","68","10","o373","o376","10.1107/S0108270112036001","","","1.54178","CuKα","","0.0348","0.0339","","","0.0937","0.0948","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018649","9.7093","0.001","13.9463","0.0014","14.0767","0.0014","118.086","0.002","104.17","0.002","90.036","0.002","1615.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>,<i>O</i>']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato- κ^2^<i>O</i>:<i>O</i>']] monohydrate]","","- C36 H30 N3 O9 Tb -","- C36 H28 N3 O9 Tb -","- C72 H56 N6 O18 Tb2 -","2","1","QS3018","Wang, Hai-Rong; Xia, Chao-Hui; Li, Guo-Ting","<i>catena</i>-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']terbium(III)]-bis[μ-3-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']] monohydrate]","Acta Crystallographica Section C","2012","68","11","m303","m305","10.1107/S0108270112040310","","","0.71073","MoKα","","0.0387","0.0274","","","0.0637","0.0691","","","","","","1.016","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018650","24.151","0.005","14.088","0.003","15.651","0.003","90","","116.54","0.03","90","","4764","2","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate","","- C56 H36 Fe N6 O17 -","- C56 H36 Fe N6 O17 -","- C224 H144 Fe4 N24 O68 -","4","0.5","SF3175","Zhong, Kai-Long","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","Acta Crystallographica Section C","2012","68","9","m259","m264","10.1107/S0108270112034567","","","0.71073","MoKα","","0.0644","0.0517","","","0.1042","0.1106","","","","","","1.113","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018651","13.767","0.003","13.911","0.003","24.202","0.005","90","","102.68","0.03","90","","4521.9","1.8","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","","- C50 H38 Fe N6 O18 -","- C50 H38 Fe N6 O18 -","- C200 H152 Fe4 N24 O72 -","4","1","SF3175","Zhong, Kai-Long","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/2)","Acta Crystallographica Section C","2012","68","9","m259","m264","10.1107/S0108270112034567","","","0.71073","MoKα","","0.1213","0.0932","","","0.1478","0.1598","","","","","","1.226","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018652","7.228","0.0001","12.4251","0.0002","18.9837","0.0003","105.388","0.001","91.348","0.001","92.604","0.001","1640.96","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Melaminium (2-carboxyethyl)(phenyl)phosphinate monohydrate","2,4,6-Triamino-1,3,5-triazin-1-ium (2-carboxyethyl)(phenyl)phosphinate monohydrate","","- C12 H19 N6 O5 P -","- C12 H19 N6 O5 P -","- C48 H76 N24 O20 P4 -","4","2","SF3176","Xue, Jun; Zhao, Cui-Cui; Du, Zi-Yi","Melaminium (2-carboxyethyl)(phenyl)phosphinate monohydrate","Acta Crystallographica Section C","2012","68","9","o355","o358","10.1107/S0108270112033392","","","0.71073","MoKα","","0.0652","0.0453","","","0.1074","0.1148","","","","","","1.098","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018653","24.98","0.005","6.5472","0.0013","17.278","0.004","90","","103.96","0.03","90","","2742.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[silver(I)-μ-[9,10-bis(1<i>H</i>-benzimidazol-1- ylmethyl)anthracene]-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(nitrato-κ<i>O</i>)silver(I)]","","- C30 H22 Ag2 N6 O6 -","- C30 H22 Ag2 N6 O6 -","- C120 H88 Ag8 N24 O24 -","4","0.5","SF3177","Du, Jian-Long; Zhu, Xiao-Long; Li, Pei","<i>catena</i>-Poly[[silver(I)-μ-[9,10-bis(1<i>H</i>-benzimidazol-1-ylmethyl)anthracene]-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(nitrato-κ<i>O</i>)silver(I)]","Acta Crystallographica Section C","2012","68","10","m281","m283","10.1107/S0108270112035846","","","0.71073","MoKα","","0.1018","0.0605","","","0.0927","0.103","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018654","10.6645","0.0007","10.3818","0.0007","32.164","0.002","90","","90","","90","","3561.1","0.4","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","benzoyl(hydroxyimino)acetonitrile‒18-crown-6 (1,4,7,10,13,16-hexaoxacyclooctadecane)‒water (2/1/4)","","- C30 H44 N4 O14 -","- C30 H44 N4 O14 -","- C120 H176 N16 O56 -","4","0.5","SF3178","Ponomarova, Vira V.; Domasevitch, Konstantin V.","A three-component cocrystal: benzoyl(hydroxyimino)acetonitrile‒18-crown-6‒water (2/1/4)","Acta Crystallographica Section C","2012","68","9","o359","o361","10.1107/S0108270112034208","","","0.71073","MoKα","","0.0691","0.0451","","","0.0773","0.0842","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018655","14.6307","0.0011","8.5718","0.0007","28.083","0.002","90","","90","","90","","3521.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4<i>H</i>-1,2,4-Triazolo[3,4-<i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C144 H112 N48 O16 S16 -","16","2","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0312","0.0295","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018656","11.6248","0.0018","14.92","0.002","8.5909","0.0013","90","","102.564","0.003","90","","1454.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-2-phenylethyl)-4<i>H</i>-1,2,4-triazolo[3,4- <i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C17 H13 N3 O2 S -","- C17 H13 N3 O2 S -","- C68 H52 N12 O8 S4 -","4","1","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0549","0.0455","","","0.1048","0.1104","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018657","13.6533","0.0014","12.7279","0.0013","22.2927","0.0019","90","","100.601","0.003","90","","3807.9","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 3-oxo-2-(1-oxo-1<i>H</i>,4<i>H</i>-1,2,4-triazolo[3,4- <i>c</i>][1,4]benzothiazin-2-yl)-3-phenylpropanoate","","- C20 H17 N3 O4 S -","- C20 H17 N3 O4 S -","- C160 H136 N24 O32 S8 -","8","1","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0722","0.0636","","","0.1593","0.1656","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018658","7.411","0.0006","16.2739","0.0018","17.201","0.002","90","","90","","90","","2074.5","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene- 1,3-thiazolidin-4-one monohydrate","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C64 H72 N24 O16 S16 -","8","1","SF3183","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2012","68","11","o468","o471","10.1107/S0108270112043260","","","0.71073","MoKα","","0.1104","0.0555","","","0.1342","0.1636","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018659","9.90009","0.00011","9.94558","0.00011","15.0359","0.0002","90","","102.49","0.0008","90","","1445.43","0.03","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Methylenedipyridinium tetrachloridocuprate(II)","","- C11 H12 Cl4 Cu N2 -","- C11 H12 Cl4 Cu N2 -","- C44 H48 Cl16 Cu4 N8 -","4","0.5","SK3441","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction","Acta Crystallographica Section C","2012","68","9","m246","m250","10.1107/S0108270112031885","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.87","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018660","15.61545","0.00011","17.6525","0.0003","7.563","0.00006","90","","90","","90","","2084.75","0.04","298","","298","","","","","","","","","5","I m a 2","I 2 -2a","46","","1,1'-methylenedipyridinium bis[tetrachloridoaurate(III)]","","- C11 H12 Au2 Cl8 N2 -","- C11 H12 Au2 Cl8 N2 -","- C44 H48 Au8 Cl32 N8 -","4","0.5","SK3441","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction","Acta Crystallographica Section C","2012","68","9","m246","m250","10.1107/S0108270112031885","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.6","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018661","8.5395","0.0017","13.543","0.003","14.743","0.004","90","","95.358","0.003","90","","1697.6","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0443","0.0373","","","0.0717","0.0753","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018662","8.5966","0.0014","13.655","0.002","14.966","0.003","90","","95.533","0.004","90","","1748.6","0.5","250","2","250","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.0662","0.0469","","","0.0929","0.1025","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018663","8.731","0.003","13.824","0.005","15.314","0.006","90","","94.866","0.009","90","","1841.7","1.2","400","2","400","2","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)]","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C32 H96 Cl8 Cu4 N16 O32 -","4","1","SK3443","Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli","The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K","Acta Crystallographica Section C","2012","68","9","m251","m254","10.1107/S0108270112033318","","","0.71073","MoKα","","0.125","0.0753","","","0.1765","0.2065","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018664","19.4565","0.0006","7.001","0.0002","31.1252","0.0009","90","","120.322","0.002","90","","3659.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine- κ<i>N</i>)dimanaganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4)","","- C64 H76 Cl2 Mn2 N12 O24 -","- C64 H76 Cl2 Mn2 N12 O24 -","- C128 H152 Cl4 Mn4 N24 O48 -","2","0.5","SK3444","Wang, Jun; Gao, Junlin; Zhao, Wenhua","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[tetraaqua(4,4'-bipyridine-κ<i>N</i>)dimanganese(II)] bis(4-aminobenzoate) bis(perchlorate)‒4,4'-bipyridine‒water (1/2/4): a supramolecular system constructed by π‒π and hydrogen-bond interactions","Acta Crystallographica Section C","2012","68","9","m255","m258","10.1107/S0108270112033616","","","0.71073","MoKα","","0.1197","0.053","","","0.1058","0.1371","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018665","10.432","0.003","11.237","0.003","11.885","0.003","80.084","0.002","88.989","0.002","88.943","0.002","1372","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane","","- C24 H47 P Si2 -","- C24 H47 P Si2 -","- C48 H94 P2 Si4 -","2","1","SK3445","Boeré, René T.; Taghavikish, Mona","Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane: the first structure of an organophosphane with two <i>tert</i>-butyldimethylsilyl (TBDMS) substituents","Acta Crystallographica Section C","2012","68","10","o381","o382","10.1107/S0108270112035949","","","0.71073","MoKα","","0.0352","0.0307","","","0.0852","0.0888","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018666","9.7274","0.0019","13.259","0.003","19.982","0.004","90","","90","","90","","2577.2","0.9","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate","","- C4 H7 N4 O0.5 S -","- C4 H7 N4 O0.5 S -","- C64 H112 N64 O8 S16 -","16","","SK3446","Zhang, Zhenfeng; Xian, Dong; Glidewell, Christopher","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2012","68","10","o377","o380","10.1107/S0108270112036359","","","0.71073","MoKα","","0.088","0.0458","","","0.0915","0.105","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018667","6.0731","0.0015","14.921","0.004","16.285","0.004","90","","95.686","0.004","90","","1468.4","0.6","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Isoquinolin-5-amine","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","2","SK3448","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Isoquinolin-5-amine","Acta Crystallographica Section C","2012","68","10","o392","o394","10.1107/S0108270112037602","","","0.71073","MoKα","","0.0453","0.0379","","","0.0852","0.0895","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018668","4.8992","0.0002","8.4434","0.0005","13.6616","0.0009","107.148","0.002","91.569","0.002","96.376","0.002","535.59","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(Diiodoarsanyl)benzoic acid","","- C7 H5 As I2 O2 -","- C7 H5 As I2 O2 -","- C14 H10 As2 I4 O4 -","2","1","SK3449","Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","<i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4)","Acta Crystallographica Section C","2012","68","11","m323","m325","10.1107/S0108270112040000","","","0.71073","MoKα","","0.0439","0.0377","","","0.1046","0.1091","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018669","7.6751","0.0005","18.6142","0.0012","22.0692","0.0012","90","","90.206","0.002","90","","3152.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Diiodoarsanyl)benzoic acid","","- C7 H5 As I2 O2 -","- C7 H5 As I2 O2 -","- C84 H60 As12 I24 O24 -","12","3","SK3449","Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","<i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4)","Acta Crystallographica Section C","2012","68","11","m323","m325","10.1107/S0108270112040000","","","0.71073","MoKα","","0.0264","0.021","","","0.045","0.0463","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018670","13.948","0.003","14.279","0.003","16.3474","0.0016","70.147","0.012","86.297","0.013","62.265","0.016","2693.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Methyl (3a<i>RS</i>,3c<i>RS</i>,6c<i>SR</i>,7<i>RS</i>,8<i>RS</i>,8a<i>SR</i>)- 2,5-bis(4-chlorophenyl)-7,9-bis(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-1,3,4,6- tetraoxododecahydro-1<i>H</i>-dipyrrolo[3,4-<i>a</i>:3',4'- <i>f</i>]pyrrolizine-3b-carboxylate dimethylformamide disolvate","","- C61 H53 Cl2 N9 O8 -","- C61 H53 Cl2 N9 O8 -","- C122 H106 Cl4 N18 O16 -","2","1","SK3451","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Methyl (3a<i>RS</i>,3c<i>RS</i>,6c<i>SR</i>,7<i>RS</i>,8<i>RS</i>,8a<i>SR</i>)-2,5-bis(4-chlorophenyl)-7,9-bis(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-1,3,4,6-tetraoxododecahydro-1<i>H</i>-dipyrrolo[3,4-<i>a</i>:3',4'-<i>f</i>]pyrrolizine-3b-carboxylate dimethylformamide disolvate: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2012","68","11","o439","o442","10.1107/S0108270112039856","","","0.71073","MoKα","","0.0808","0.0446","","","0.1044","0.1247","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018671","8.0275","0.0001","9.9401","0.0001","16.8444","0.0001","96.607","0.001","95.134","0.001","96.394","0.001","1319.71","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-bis(ethanol-κ<i>O</i>)tetrakis(1<i>H</i>-imidazole- κ<i>N</i>^3^)copper(II) bis[μ-<i>N</i>-(2-oxidobenzylidene)-D,L-glutamato]- κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2'^:<i>O</i>^2'^;\ κ^4^<i>O</i>^2'^:<i>O</i>^1^,<i>N</i>,<i>O</i>^2'^-bis[(1<i>H</i>-imidazole- κ<i>N</i>^3^)cuprate(II)]","","- C46 H56 Cu3 N14 O12 -","- C46 H56 Cu3 N14 O12 -","- C46 H56 Cu3 N14 O12 -","1","0.5","SK3453","Langer, Vratislav; Mach, Pavol; Gyepesová, Dalma; Andrezálová, Lucia; Kohútová, Mária","X-ray and DFT studies of a mono- and binuclear copper(II) ionic compound containing a Schiff base","Acta Crystallographica Section C","2012","68","11","m326","m328","10.1107/S010827011204276X","","","0.71073","MoKα","","0.0367","0.0316","","","0.0834","0.0871","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018672","9.0547","0.0007","8.2304","0.0005","9.3016","0.0007","90","","92.76","0.002","90","","692.39","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-1-phenylethanaminium (<i>R</i>)-thiomalate","(<i>S</i>)-1-phenylethanaminium (<i>R</i>)-3-carboxy-2-sulfanylpropanoate","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C24 H34 N2 O8 S2 -","2","1","UK3047","Igawa, Kosuke; Yoshinari, Nobuto; Konno, Takumi","An optically resolved crystal of thiomalate: (<i>S</i>)-1-phenylethanaminium (<i>R</i>)-thiomalate","Acta Crystallographica Section C","2012","68","9","o332","o334","10.1107/S0108270112032933","","","0.71075","MoKα","","0.051","0.0414","","","0.0942","0.1066","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018673","13.808","0.006","13.808","0.006","9.219","0.004","90","","90","","90","","1757.7","1.3","150","2","150","2","","","","","","","","4","P 42/n :2","-P 4bc","86","ninhydrin dihydrazone","(1<i>Z</i>,3<i>Z</i>)-1,3-dihydrazinylidene-1<i>H</i>-inden-2(3<i>H</i>)-one","","- C9 H8 N4 O -","- C9 H8 N4 O -","- C72 H64 N32 O8 -","8","1","UK3049","Blake, Alexander J.; Chebude, Yonas; Tadesse, Haregewine; Wondimu, Berhanu","1,3-Ninhydrin dihydrazone featuring an <i>R</i>~4~^4^(12) motif with f̱ øverline{4} symmetry and comprising only N and H atoms","Acta Crystallographica Section C","2012","68","9","o362","o364","10.1107/S0108270112034749","","","0.71073","MoKα","","0.0706","0.0388","","","0.088","0.098","","","","","","0.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018674","14.7103","0.0002","11.7174","0.0001","19.7281","0.0003","90","","109.145","0.002","90","","3212.39","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzamidinidium 2,6-dimethoxybenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","2","UK3051","Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine","Acta Crystallographica Section C","2012","68","11","o447","o451","10.1107/S010827011204067X","","","0.71069","MoKα","","0.0714","0.0583","","","0.1218","0.1286","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018675","9.8921","0.0001","10.4471","0.0001","15.1403","0.0002","90","","90","","90","","1564.66","0.03","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzamidinidium 2,6-dimethoxybenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","UK3051","Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine","Acta Crystallographica Section C","2012","68","11","o447","o451","10.1107/S010827011204067X","","","0.71069","MoKα","","0.0665","0.0579","","","0.1521","0.156","","","","","","1.188","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018676","22.0249","0.0007","12.5626","0.0005","5.0512","0.0001","90","","90","","90","","1397.62","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0592","0.0365","","","0.0805","0.089","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018677","22.1833","0.0014","12.8024","0.0008","5.0114","0.0003","90","","90","","90","","1423.23","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide","","- C14 H12 F3 N O3 S -","- C14 H12 F3 N O3 S -","- C56 H48 F12 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0877","0.0551","","","0.1097","0.1227","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018678","21.6853","0.0008","12.657","0.0005","5.0586","0.0003","90","","90","","90","","1388.44","0.11","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Iodo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 I N O3 S -","- C13 H12 I N O3 S -","- C52 H48 I4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0385","0.0311","","","0.0701","0.0745","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018679","21.621","0.0007","12.372","0.0003","5.0526","0.0001","90","","90","","90","","1351.55","0.06","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Br N O3 S -","- C13 H12 Br N O3 S -","- C52 H48 Br4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0333","0.0263","","","0.0551","0.0572","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018680","21.258","0.0015","12.3967","0.0005","5.0526","0.0003","90","","90","","90","","1331.51","0.13","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Chloro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.063","0.0441","","","0.0914","0.0998","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018681","20.7242","0.0004","12.3551","0.0004","5.0209","0.0001","90","","90","","90","","1285.6","0.05","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-Fluoro-<i>N</i>-(4-methoxyphenyl)benzenesulfonamide","","- C13 H12 F N O3 S -","- C13 H12 F N O3 S -","- C52 H48 F4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0287","0.0274","","","0.0746","0.0756","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018682","21.3923","0.0007","12.3691","0.0004","5.0386","0.0002","90","","90","","90","","1333.23","0.08","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Chlorophenyl)-4-methoxybenzenesulfonamide","","- C13 H12 Cl N O3 S -","- C13 H12 Cl N O3 S -","- C52 H48 Cl4 N4 O12 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0355","0.0321","","","0.0718","0.0739","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018683","20.1912","0.0007","12.0001","0.0004","5.1055","0.0001","90","","90","","90","","1237.04","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Cyano-<i>N</i>-phenylbenzenesulfonamide","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","UK3052","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","Eight isostructural 4,4'-disubstituted <i>N</i>-phenylbenzenesulfonamides","Acta Crystallographica Section C","2012","68","10","o421","o426","10.1107/S0108270112039297","","","0.71073","MoKα","","0.0297","0.0276","","","0.0659","0.0671","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018684","7.208","0.0001","12.7611","0.0003","16.3676","0.0004","90","","90","","90","","1505.52","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Oxycodone <i>N</i>-oxide","(5<i>R</i>,9<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-14-hydroxy- 3-methoxy-17-methyl-4,5-epoxymorphinan-6-one <i>N</i>-oxide","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","UK3053","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","Oxycodone <i>N</i>-oxide","Acta Crystallographica Section C","2012","68","11","o436","o438","10.1107/S0108270112040188","","","0.71073","MoKα","","0.0426","0.0338","","","0.0772","0.0806","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018685","12.2292","0.0007","11.835","0.0006","16.9729","0.0008","90","","95.293","0.005","90","","2446.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[bis(pyridin-2-ylmethyl)(quinolin-2-ylmethyl)amine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']bis(thiocyanato- κ<i>S</i>)iron(II)","","- C24 H20 Fe N6 S2 -","- C24 H20 Fe N6 S2 -","- C96 H80 Fe4 N24 S8 -","4","1","WQ3016","Yu, Fan","Magnetic properties of a mononuclear iron(II) complex with a typical FeN~6~ coordination octahedron","Acta Crystallographica Section C","2012","68","10","m287","m290","10.1107/S010827011203209X","","","0.71073","MoKα","","0.0892","0.0439","","","0.0825","0.0889","","","","","","0.811","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018686","7.286","0.0015","11.246","0.002","11.462","0.002","72.21","0.03","73.57","0.03","83.5","0.03","857.4","0.3","223.15","","223.15","","","","","","","","","6","P 1","P 1","1","","<i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']]","","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","- C20 H38 Co3 N4 O23 S3 -","1","1","WQ3017","Zhong, Kai-Long; Qian, Ming-Yi","A novel one-dimensional Co^II^ coordination polymer: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']]","Acta Crystallographica Section C","2012","68","9","m265","m268","10.1107/S0108270112034385","","","0.71073","MoKα","","0.0462","0.0261","","","0.0557","0.0798","","","","","","1.239","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018687","9.6423","0.0002","8.3406","0.0001","13.1461","0.0002","90","","121.218","0.001","90","","904.16","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>H</i>-Chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","WQ3019","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular sheets in (4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its hydrated 8-methyl-substituted analogue at 100K","Acta Crystallographica Section C","2012","68","11","o481","o484","10.1107/S0108270112043545","","","0.71073","MoKα","","0.0611","0.0452","","","0.1111","0.1198","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018688","31.2492","0.0005","4.6714","0.0001","17.3083","0.0004","90","","121.03","0.002","90","","2165.06","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(8-Methyl-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol monohydrate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","WQ3019","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular sheets in (4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its hydrated 8-methyl-substituted analogue at 100K","Acta Crystallographica Section C","2012","68","11","o481","o484","10.1107/S0108270112043545","","","0.71073","MoKα","","0.0691","0.0505","","","0.1228","0.1334","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018689","4.771","0.0001","14.5605","0.0003","11.407","0.0002","90","","91.974","0.001","90","","791.95","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethyl-6-methylpyridin-3-ol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","YF3016","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Kipnis, Alexander M.; Trukhachova, Tatjana V.","2-Ethyl-6-methylpyridin-3-ol and its salt bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","Acta Crystallographica Section C","2012","68","9","o365","o368","10.1107/S0108270112035901","","","0.71073","MoKα","","0.0627","0.0446","","","0.1331","0.1494","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018690","8.8445","0.0001","13.4026","0.0002","8.4848","0.0001","90","","95.347","0.001","90","","1001.41","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","0.5","YF3016","Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Survilo, Vladimir L.; Kipnis, Alexander M.; Trukhachova, Tatjana V.","2-Ethyl-6-methylpyridin-3-ol and its salt bis(2-ethyl-3-hydroxy-6-methylpyridinium) succinate","Acta Crystallographica Section C","2012","68","9","o365","o368","10.1107/S0108270112035901","","","0.71073","MoKα","","0.0503","0.0451","","","0.1289","0.1355","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018691","7.4201","0.0006","24.1098","0.0014","7.8614","0.0006","90","","117.566","0.006","90","","1246.73","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-N'-(4-chlorobenzylidene)-4-hydroxybenzohydrazide","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0733","0.0454","","","0.0947","0.1035","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018692","7.6046","0.0007","24.225","0.0018","7.923","0.0007","90","","118.673","0.009","90","","1280.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(4-Bromobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C56 H44 Br4 N8 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0653","0.0344","","","0.0712","0.0783","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018693","14.8338","0.001","12.4571","0.0011","9.2935","0.0006","90","","98.687","0.005","90","","1697.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[4-(Diethylamino)benzylidene]-4-hydroxybenzohydrazide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","YF3017","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide","Acta Crystallographica Section C","2012","68","10","o408","o412","10.1107/S0108270112038462","","","0.71073","MoKα","","0.0896","0.052","","","0.0909","0.1006","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018694","11.3003","0.0003","13.2721","0.0003","17.2019","0.0004","90","","95.398","0.002","90","","2568.48","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine‒diazabicyclo[2.2.2]octane‒water (1/1/1)","Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate‒ diazabicyclo[2.2.2]octane‒water (1/1/1)","","- C24 H33 Cl2 N3 O5 -","- C24 H33 Cl2 N3 O5 -","- C96 H132 Cl8 N12 O20 -","4","1","YF3020","Solanko, Katarzyna A.; Surov, Artem O.; Perlovich, German L.; Bauer-Brandl, Annette; Bond, Andrew D.","Felodipine‒diazabicyclo[2.2.2]octane‒water (1/1/1)","Acta Crystallographica Section C","2012","68","11","o456","o458","10.1107/S0108270112043405","","","0.71073","MoKα","","0.0727","0.0528","","","0.1192","0.1273","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018695","7.867","0.0016","12.049","0.002","12.481","0.003","80.85","0.03","82.17","0.03","78.84","0.03","1139.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl8 Nb2 O2 Te8 -","- Cl8 Nb2 O2 Te8 -","- Cl16 Nb4 O4 Te16 -","2","1","YP3015","Feldmann, Claus; Freudenmann, Dominic","[Te~8~][NbOCl~4~]~2~ containing an infinite chain-like {[Te‒Te‒Te‒(Te~5~)]^2+^}~<i>n~</i> polycation","Acta Crystallographica Section C","2012","68","10","i68","i70","10.1107/S0108270112038176","","","0.71073","MoKα","","0.0854","0.0472","","","0.1072","0.1149","","","","","","0.908","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018696","5.1253","0.0004","19.4363","0.0014","8.4953","0.0006","90","","93.251","0.003","90","","844.91","0.11","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","YP3017","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","The effect of hydrogen bonding on the conformations of 2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide and 2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","Acta Crystallographica Section C","2012","68","10","o405","o407","10.1107/S0108270112038322","","","1.54178","CuKα","","0.0585","0.0575","","","0.1576","0.1581","","","","","","1.235","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018697","10.1813","0.0002","6.0048","0.0001","18.0625","0.0004","90","","97.7222","0.0008","90","","1094.27","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","YP3017","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","The effect of hydrogen bonding on the conformations of 2-(1<i>H</i>-indol-3-yl)-2-oxoacetamide and 2-(1<i>H</i>-indol-3-yl)-<i>N</i>,<i>N</i>-dimethyl-2-oxoacetamide","Acta Crystallographica Section C","2012","68","10","o405","o407","10.1107/S0108270112038322","","","0.71073","MoKα","","0.0523","0.0401","","","0.1038","0.1119","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018698","5.581","0.0002","9.202","0.0002","13.561","0.0002","90","","90","","90","","696.44","0.03","293","2","293","2","","","","","","","","4","P m n b","-P 2bc 2a","62","Barium strontium phosphate","Barium strontium diphosphate","","- Ba1.01 O7 P2 Sr0.99 -","- Ba1.0133 O7 P2 Sr0.9867 -","- Ba4.0532 O28 P8 Sr3.9468 -","4","0.5","BI3047","Edhokkar, Fadhila; Hadrich, Ahmed; Graia, Mohsen; Mhiri, Tahar","Ba~1.01~Sr~0.99~P~2~O~7~: un nouveau site Ba^2+^ révélé par diffraction des rayons X","Acta Crystallographica Section C","2012","68","12","i86","i88","10.1107/S0108270112047002","","","0.71073","MoKα","","0.0185","0.017","","","0.0396","0.04","","","","","","1.143","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018699","13.1578","0.0006","4.6755","0.0002","23.4908","0.0011","90","","95.112","0.002","90","","1439.39","0.11","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-O-β-<i>D</i>-mannopyranosyl β-<i>D</i>-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","2","CU3015","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-O-β-<small>D</small>-mannopyranosyl β-<small>D</small>-xylopyranoside","Acta Crystallographica Section C","2012","68","12","o502","o506","10.1107/S0108270112046689","","","1.54178","CuKα","","0.0325","0.0309","","","0.0779","0.0792","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018700","40.058","0.004","5.9102","0.0005","24.142","0.002","90","","111.723","0.001","90","","5309.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[aquapyridinecadmium(II)]μ~3~-{4,4'-[(2,4,6-trimethyl- 1,3-phenylene)bis(methylene)]dibenzoato}]","","- C30 H29 Cd N O5 -","- C30 H29 Cd N O5 -","- C240 H232 Cd8 N8 O40 -","8","1","EM3052","Zhang, Xiaolai; Ying, Weiyong","Biphase synthesis of a one-dimensional coordination polymer based on a dinuclear Cd^II^ secondary building unit and a novel semi-rigid dicarboxylate","Acta Crystallographica Section C","2012","68","12","m333","m335","10.1107/S0108270112044587","","","0.71073","MoKα","","0.0535","0.0313","","","0.0637","0.0711","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018701","6.8625","0.0003","10.0319","0.0004","14.1026","0.0006","90","","90","","90","","970.88","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Potassium 1-thio-β-D-glucoside monohydrade","Poly[(μ~2~-aqua)(μ~4~-1-sulfido-β-D-glucoside)potassium]","","- C6 H13 K O6 S -","- C6 H13 K O6 S -","- C24 H52 K4 O24 S4 -","4","1","EM3054","Yoshinari, Nobuto; Kitani, Naoki; Konno, Takumi","The first crystal structure of an alkaline metal salt of thioglucose: potassium 1-thio-β-<small>D</small>-glucoside monohydrate","Acta Crystallographica Section C","2012","68","12","m363","m366","10.1107/S0108270112047014","","","0.71075","MoKα","","0.0382","0.0378","","","0.0775","0.0779","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018702","12.1015","0.0001","35.8825","0.0004","36.2749","0.0004","86.139","0.001","89.814","0.001","88.461","0.001","15710.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>cyclo</i>-Decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]","","- C70 H130 O15 V5 -","- C70 H130 O15 V5 -","- C560 H1040 O120 V40 -","8","4","FG3279","Stinghen, Danilo; Ferreira, Janaina G.; Nunes, Giovana G.; Soares, Jaísa F.","A new ring-like arrangement of vanadyl(IV) groups bridged by monodentate alkoxides: <i>cyclo</i>-decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]","Acta Crystallographica Section C","2012","68","12","m353","m355","10.1107/S0108270112045702","","","1.54184","CuKα","","0.0479","0.0441","","","","0.1166","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018703","7.2339","0.0002","21.7998","0.0008","13.0306","0.0004","90","","94.903","0.003","90","","2047.37","0.11","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(5-chloro-8-hydroxyquinolinium) tetrachloridopalladate(II)","","- C18 H14 Cl6 N2 O2 Pd -","- C18 H14 Cl6 N2 O2 Pd -","- C72 H56 Cl24 N8 O8 Pd4 -","4","1","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0418","0.029","","","0.0497","0.0538","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018704","7.7896","0.0007","13.207","0.0011","7.141","0.0006","90","","91.359","0.007","90","","734.44","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[dimethylammonium [[dichloridopalladate(II)]-μ-chlorido]]","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0389","0.0272","","","0.059","0.0643","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018705","15.8369","0.0005","6.8335","0.0003","8.7459","0.0004","90","","96.087","0.003","90","","941.16","0.07","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethylenediammonium bis(5-chloroquinolin-8-olate)","","- C20 H20 Cl2 N4 O2 -","- C20 H20 Cl2 N4 O2 -","- C40 H40 Cl4 N8 O4 -","2","0.5","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.048","0.0366","","","0.0867","0.0934","","","","","","1.035","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2018706","7.398","0.0004","7.6612","0.0005","8.4536","0.0004","72.4","0.005","76.797","0.005","84.615","0.005","444.47","0.05","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","5-chloro-8-hydroxyquinolinium chloride","","- C9 H7 Cl2 N O -","- C9 H7 Cl2 N O -","- C18 H14 Cl4 N2 O2 -","2","1","FG3281","Vranec, Peter; Potočňák, Ivan; Repovský, Peter","Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol","Acta Crystallographica Section C","2012","68","12","m370","m376","10.1107/S0108270112047452","","","0.71073","MoKα","","0.0406","0.0288","","","0.0674","0.0734","","","","","","0.943","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018707","6.3609","0.001","7.975","0.0013","9.322","0.0015","105.278","0.014","108.055","0.014","101.993","0.014","411.55","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","Iron Phosphate","Heptairon pentaphosphate hydrogen phosphate","","- Fe6.67 H0.65 O24 P6 -","- Fe6.6738 O24 P6 -","- Fe6.6738 O24 P6 -","1","0.5","FN3113","Dal Bo, Fabrice; Hatert, Frédéric","Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates","Acta Crystallographica Section C","2012","68","12","i83","i85","10.1107/S0108270112043016","","","0.7107","MoKα","","0.0306","0.0239","","","0.055","0.0571","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018708","6.3445","0.0002","7.9353","0.0003","9.2829","0.0003","105.303","0.003","108.176","0.003","101.7","0.003","407.03","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","Iron Phosphate","Heptairon tetraphosphate bis(hydrogen phosphate)","","- Fe6.23 H1.55 O24 P6 -","- Fe6.228 O24 P6 -","- Fe6.228 O24 P6 -","1","0.5","FN3113","Dal Bo, Fabrice; Hatert, Frédéric","Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates","Acta Crystallographica Section C","2012","68","12","i83","i85","10.1107/S0108270112043016","","","0.7107","MoKα","","0.0309","0.0267","","","0.0831","0.0854","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018709","7.02","0.003","11.043","0.004","7.803","0.003","90","","92.82","0.04","90","","604.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium trihydrogen hypodiphosphate","","- H3 K O6 P2 -","- H3 K O6 P2 -","- H12 K4 O24 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0265","0.0223","","","0.0557","0.057","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018710","10.021","0.003","7.645","0.002","10.229","0.003","90","","92.18","0.04","90","","783.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dipotassium dihydrogen hypodiphosphate monohydrate","","- H4 K2 O7 P2 -","- H4 K2 O7 P2 -","- H16 K8 O28 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0224","0.0198","","","0.0503","0.051","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018711","14.279","0.004","8.955","0.003","6.665","0.002","90","","98.33","0.04","90","","843.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dipotassium dihydrogen hypodiphosphate dihydrate","","- H6 K2 O8 P2 -","- H6 K2 O8 P2 -","- H24 K8 O32 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0195","0.0181","","","0.0496","0.0501","","","","","","1.128","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018712","10.208","0.003","6.875","0.002","11.769","0.003","90","","102.2","0.04","90","","807.3","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Pentapotassium hydrogen hypodiphosphate dihydrogen hypodiphosphate dihydrate","","- H7 K5 O14 P4 -","- H6.748 K5 O14 P4 -","- H13.496 K10 O28 P8 -","2","0.5","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.045","0.0239","","","0.0454","0.0466","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018713","9.743","0.003","15.725","0.006","14.418","0.006","90","","92.82","0.04","90","","2206.3","1.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tripotassium hydrogen hypodiphosphate tetrahydrate","","- H9 K3 O10 P2 -","- H8.717 K3 O10 P2 -","- H69.736 K24 O80 P16 -","8","2","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0791","0.0296","","","0.0436","0.0458","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018714","8.097","0.003","12.281","0.003","11.684","0.003","90","","92.08","0.04","90","","1161.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrapotassium hypodiphosphate tetrahydrate","","- H8 K4 O10 P2 -","- H8 K4 O10 P2 -","- H32 K16 O40 P8 -","4","1","FN3115","Szafranowska, Barbara; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium salts of hypodiphosphoric acid","Acta Crystallographica Section C","2012","68","12","i71","i82","10.1107/S010827011204317X","","","0.71073","MoKα","","0.0274","0.0237","","","0.0441","0.0448","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018715","19.8574","0.0018","4.9195","0.0005","19.6197","0.0018","90","","106.089","0.002","90","","1841.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thio urea","1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea","","- C21 H18 N2 O S2 -","- C21 H18 N2 O S2 -","- C84 H72 N8 O4 S8 -","4","1","FN3118","Bhattacharjee, Tirtha; Gogoi, Prasanta; Puranik, Vedavati G.; Gawade, Rupesh L.; Barman, Pranjit","1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea","Acta Crystallographica Section C","2012","68","12","o485","o487","10.1107/S0108270112045167","","","0.71073","MoKα","","0.086","0.0638","","","0.1284","0.1376","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018716","7.8106","0.0016","16.929","0.003","17.144","0.005","90","","105.48","0.03","90","","2184.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]","","- C23 H18.82 N4 Ni O6.41 -","- C23 H18.83 N4 Ni O6.415 -","- C92 H75.32 N16 Ni4 O25.66 -","4","1","FN3119","Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]","Acta Crystallographica Section C","2012","68","12","m336","m339","10.1107/S0108270112044393","","","0.71073","MoKα","","0.0471","0.0362","","","0.0832","0.0877","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018717","11.716","0.003","7.1266","0.0014","13.288","0.002","90","","97.423","0.017","90","","1100.2","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>cis</i>-dibromido[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>']platinum(II)}","","- C6 H14 Br2 N2 Pt -","- C6 H14 Br2 N2 Pt -","- C24 H56 Br8 N8 Pt4 -","4","2","LN3152","Pažout, Richard; Maixner, Jaroslav; Holakovská, Jitka; Dušek, Michal; Kačer, Petr","A new platinum‒bromine cyclohexanediamine complex from the family of cancer cytostatics","Acta Crystallographica Section C","2012","68","12","m340","m343","10.1107/S0108270112044770","","","1.54184","CuKα","","0.036","0.0335","","","0.0399","0.0403","","","","","","2.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018718","13.574","0.0007","7.1809","0.0004","42.833","0.002","90","","99.274","0.004","90","","4120.5","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","<i>m</i>-quinquephenyl","1,1':3',1'':3'',1''':3''',1''''-quinquephenyl","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","LN3153","Gomes, Ligia R.; Howie, R. Alan; Low, John Nicolson; Rodrigues, Ana S. M. C.; Santos, Luís M. N. B. F.","A low-temperature polymorph of <i>m</i>-quinquephenyl","Acta Crystallographica Section C","2012","68","12","o492","o497","10.1107/S0108270112046392","","","0.71073","MoKα","","0.0746","0.049","","","0.129","0.1546","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018719","13.1441","0.0003","16.2686","0.0002","14.0631","0.0003","90","","115.506","0.003","90","","2714.12","0.11","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","carbonyl(3-oxopenta-1,4-diene-1,5,-diyl)[tris(3,5-dimethyl-1<i>H</i>- pyrazol-1-yl-κ<i>N</i>^2^)methane]iridium(III) trifluoromethanesulfonate","","- C23 H26 F3 Ir N6 O5 S -","- C23 H26 F3 Ir N6 O5 S -","- C92 H104 F12 Ir4 N24 O20 S4 -","4","1","OV3018","Hernández-Juárez, Martín; Salazar-Pereda, Veronica; Padilla-Martínez, Itzia I.; García-Báez, Efrén V.","Carbonyl‒carbonyl and carbonyl‒π interactions as directing motifs in the supramolecular structure of carbonyl(3-oxopenta-1,4-diene-1,5-diyl)[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]iridium(III) trifluoromethanesulfonate","Acta Crystallographica Section C","2012","68","12","m367","m369","10.1107/S010827011204499X","","","1.5418","CuKα","","0.0515","0.0383","","","0.0923","0.1018","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018720","12.4439","0.0011","13.2598","0.0013","13.5937","0.0013","67.228","0.003","81.859","0.003","88.578","0.003","2046.2","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","bis{μ-2-[bis(pyridin-2-ylmethyl)amino]acetato}bis[diaquamanganese(II)] bis(trifluoromethandsulfonate) monohydrate,","","- C30 H38 F6 Mn2 N6 O15 S2 -","- C30 H38 F6 Mn2 N6 O15 S2 -","- C60 H76 F12 Mn4 N12 O30 S4 -","2","1","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0505","0.0357","","","0.0921","0.099","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018721","7.9179","0.0005","21.7212","0.0016","12.2638","0.001","90","","104.599","0.003","90","","2041.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis{μ-3-[bis(pyridin-2-ylmethyl)amino]propionato}bis[aquamanganese(II)] bis(trifluoromethandsulfonate) dihydrate","","- C32 H40 F6 Mn2 N6 O14 S2 -","- C32 H40 F6 Mn2 N6 O14 S2 -","- C64 H80 F12 Mn4 N12 O28 S4 -","2","0.5","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0688","0.0343","","","0.0676","0.0745","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018722","9.8698","0.0005","10.6007","0.0006","13.9273","0.0008","94.978","0.003","110.547","0.002","104.276","0.002","1297.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","di-μ-oxido-bis(bis{3-[bis(pyridin-2-ylmethyl)amino]propionato}manganese(IV)) bis[triaquatetranitratocerate(IV)]","","- C30 H44 Ce2 Mn2 N14 O36 -","- C30 H44 Ce2 Mn2 N14 O36 -","- C30 H44 Ce2 Mn2 N14 O36 -","1","0.5","QS3017","Lennartson, Anders; McKenzie, Christine J.","Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex","Acta Crystallographica Section C","2012","68","12","m347","m352","10.1107/S0108270112043296","","","0.71073","MoKα","","0.0186","0.0165","","","0.0408","0.0421","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018723","8.1756","0.0004","9.3263","0.0004","13.8965","0.0008","78.369","0.001","83.065","0.002","76.501","0.001","1006.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[bis{μ~2~-4-[3,5-bis(pyridin-4-yl)phenyl]pyridine}nona-μ~2~-oxido- tetraoxidocopper(II)tetramolybdenum(VI)]","","- C42 H30 Cu Mo4 N6 O13 -","- C42 H30 Cu Mo4 N6 O13 -","- C42 H30 Cu Mo4 N6 O13 -","1","0.5","SF3184","Liu, Hou-Ting; Lu, Jing","Poly[bis{μ~2~-4-[3,5-bis(pyridin-4-yl)phenyl]pyridine}nona-μ~2~-oxido-tetraoxidocopper(II)tetramolybdenum(VI)]","Acta Crystallographica Section C","2012","68","12","m329","m332","10.1107/S0108270112043648","","","0.71073","MoKα","","0.0336","0.0272","","","0.063","0.0664","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018724","7.9853","0.0006","10.8365","0.0007","28.974","0.002","90","","95.123","0.001","90","","2497.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-dichloridotetrakis[1-phenyl-3-(1<i>H</i>-1,2,4-triazol-1-yl- κ<i>N</i>^4^)propan-1-one]copper(II) hexahydrate","","- C44 H56 Cl2 Cu N12 O10 -","- C44 H56 Cl2 Cu N12 O10 -","- C88 H112 Cl4 Cu2 N24 O20 -","2","0.5","SK3456","Guo, Jian-Hua","Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up‒up‒down‒down (uudd) cyclic water tetramer and <i>X</i>—H···Cl (<i>X</i> = O and C) hydrogen-bonding interactions","Acta Crystallographica Section C","2012","68","12","m344","m346","10.1107/S0108270112045362","","","0.71073","MoKα","","0.0516","0.0346","","","0.0862","0.0925","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018725","8.4292","0.0003","12.4129","0.0004","12.085","0.0004","90","","131.175","0.002","90","","951.76","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol- κ^2^<i>N</i>,<i>O</i>]nickel(II)","","- C18 H24 N2 Ni O6 -","- C18 H24 N2 Ni O6 -","- C36 H48 N4 Ni2 O12 -","2","0.5","SK3457","Trdin, Miha; Lah, Nina","A new polymorphic form of bis(acetato-κ<i>O</i>)bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]nickel(II)","Acta Crystallographica Section C","2012","68","12","m359","m362","10.1107/S0108270112046422","","","0.71073","MoKα","","0.0389","0.0313","","","0.0707","0.0753","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018726","7.8874","0.0003","19.3046","0.0008","14.2966","0.0007","90","","102.164","0.004","90","","2127.97","0.16","99.97","0.12","99.97","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline- κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate","","- C22 H23 Cl2 N3 Pd -","- C22 H23 Cl2 N3 Pd -","- C88 H92 Cl8 N12 Pd4 -","4","1","SK3458","Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc","Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline-κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate","Acta Crystallographica Section C","2012","68","12","m356","m358","10.1107/S0108270112045970","","","0.71073","MoKα","","0.036","0.0304","","","0.0669","0.0712","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018727","8.735","0.005","15.54","0.01","24.238","0.015","90","","90","","90","","3290","3","299","1","299","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-leucyl-glycine dihydrate","<i>L</i>-Leucylglycine 0.67-hydrate","","- C24 H52 N6 O11 -","- C24 H52 N6 O11 -","- C96 H208 N24 O44 -","4","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0742","0.0602","","","0.149","0.1605","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018728","6.006","0.0014","6.8782","0.0018","7.9717","0.0018","90.202","0.011","98.272","0.008","107.193","0.011","310.96","0.13","298","2","298","2","","","","","","","","4","P 1","P 1","1","","[(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)- 5-oxoimidazolidin-3-ium-1-yl]acetate","","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","1","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0346","0.0342","","","0.0926","0.0934","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018729","8.0948","0.0002","9.3747","0.0002","36.291","0.001","90","","93.128","0.001","90","","2749.89","0.12","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(furosemide).(pentoxifylline)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione (1/1)","","- C25 H29 Cl N6 O8 S -","- C25 H29 Cl N6 O8 S -","- C100 H116 Cl4 N24 O32 S4 -","4","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1609","0.0699","","","0.1336","0.1614","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018730","8.4052","0.0002","9.4494","0.0003","19.6748","0.0009","92.649","0.001","99.17","0.002","111.466","0.001","1426.35","0.09","190","","190","","","","","","","","","6","P -1","-P 1","2","(furosemide).(pentoxifylline).(water)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione‒ water (1/1/1)","","- C25 H31 Cl N6 O9 S -","- C25 H31 Cl N6 O9 S -","- C50 H62 Cl2 N12 O18 S2 -","2","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1581","0.0796","","","0.1599","0.1903","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018731","9.3099","0.0002","9.5317","0.0003","19.2653","0.0007","99.733","0.002","96.057","0.002","109.197","0.003","1567.27","0.09","190","","190","","","","","","","","","6","P -1","-P 1","2","(furosemide).(pentoxifylline).(acetone)","4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid‒3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1<i>H</i>-purine-2,6-dione‒ acetone (1/1/1)","","- C28 H35 Cl N6 O9 S -","- C28 H35 Cl N6 O9 S -","- C56 H70 Cl2 N12 O18 S2 -","2","1","YF3019","Stepanovs, Dmitrijs; Mishnev, Anatoly","Multicomponent pharmaceutical cocrystals: furosemide and pentoxifylline","Acta Crystallographica Section C","2012","68","12","o488","o491","10.1107/S0108270112045866","","","0.71073","MoKα","","0.1248","0.0629","","","0.1232","0.1465","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""