# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T07:09:14+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 = 62 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
"2014295","12.448","0.003","14.878","0.004","22.483","0.006","90","","97.655","0.005","90","","4126.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-2-hydroxybutanedioato-1κ^2^O^4^,O^4'^:2κ^2^O^2^,O^2^-nitrato-2κO- tris(1,10-phenanthroline)-1κ^4^N,N';2κ^2^N,N'-dicopper(II) nitrate tetrahydrate","","- C40 H36 Cu2 N8 O15 -","- C40 H36 Cu2 N8 O15 -","- C160 H144 Cu8 N32 O60 -","4","1","AV1267","Zhang, Xiang-Dong; Sun, Jin-Yu; Zhao, Zhen; Ma, Yong-Chao; Zhu, Miao-Li","[{Cu(phen)~2~}(μ-malato){Cu(phen)(NO~3~)}](NO~3~)·4H~2~O: malate acting as a tetradentate and dibridging ligand in a dinuclear copper complex","Acta Crystallographica Section C","2006","62","1","m4","m6","10.1107/S0108270105034220","","","0.71073","MoKα","","0.0685","0.0486","","","0.1313","0.1372","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014296","3.779","0.0004","11.207","0.0008","7.841","0.0007","90","","102.019","0.009","90","","324.8","0.05","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[diaqua-μ-fluoro-μ-squarato-vanadium(III)]","","- C4 H4 F O6 V -","- C4 H4 F O6 V -","- C8 H8 F2 O12 V2 -","2","0.5","AV1268","Mohanu, Antoneta; Trombe, Jean-Christian","VF(C~4~O~4~)(H~2~O)~2~: a new layer type of diaquavanadium(III) fluoride squarate","Acta Crystallographica Section C","2006","62","1","m16","m18","10.1107/S0108270105039259","","","0.71073","MoKα","","0.0792","0.0351","","","0.0673","0.0749","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014297","6.4236","0.0017","7.627","0.002","9.814","0.003","104.424","0.006","96.634","0.002","108.81","0.005","430.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","poly[di-μ-1,5-dicyanamido-μ-1,4-bis(1,2,4-triazol-1-yl)butane-cadmium(II)]","","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","- C12 H12 Cd N12 -","1","0.5","AV1270","Li, Bao-Zong; Liu, Xun-Gao; Wang, Zhao-Hui; Li, Bao-Long; Zhang, Yong","A novel two-dimensional network cadmium(II) coordination polymer containing one 1,4-bis(1,2,4-triazol-1-yl)butane and double dicyanamide bridges","Acta Crystallographica Section C","2006","62","1","m10","m12","10.1107/S0108270105038102","","","0.71073","MoKα","","0.0171","0.0171","","","0.0449","0.0449","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014298","10.708","0.003","11.172","0.003","12.448","0.003","107.126","0.004","101.059","0.004","115.803","0.003","1189.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","poly[[bis(1,10-phenanthroline)tris(μ~3~-1,4-phenylenediacetato)trinickel(II)] dihydrate]","","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","- C54 H44 N4 Ni3 O14 -","1","0.5","AV1273","Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei","A novel nickel(II) coordination polymer incorporating 1,4-phenylenediacetic acid and 1,10-phenanthroline","Acta Crystallographica Section C","2006","62","2","m48","m50","10.1107/S0108270105042575","","","0.71073","MoKα","","0.056","0.0357","","","0.0733","0.084","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014299","17.948","0.004","8.2512","0.0017","10.762","0.002","90","","90.461","0.004","90","","1593.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-n-decyl-4-hydroxyimino-3-methyl-1H-pyrazol-5(4H)-one","","- C14 H25 N3 O2 -","- C14 H25 N3 O2 -","- C56 H100 N12 O8 -","4","1","AV1274","Julio Belmar; Claudio Jiménez; Leandro Ortiz; María Teresa Garland; Ricardo Baggio","An oximino tautomer of 1-<i>n</i>-decyl-4-hydroxyimino-3-methyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2006","62","2","o76","o78","10.1107/S0108270105042204","","","0.71073","MoKα","","0.1369","0.0647","","","0.1532","0.1843","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014300","6.889","0.007","12.116","0.012","13.286","0.013","102.128","0.015","100.939","0.016","103.523","0.016","1020.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Nitrobenzene derivative","2,3-dichloro-6-nitrobenzylaminium chloride","","- C7 H7 Cl3 N2 O2 -","- C7 H7 Cl3 N2 O2 -","- C28 H28 Cl12 N8 O8 -","4","2","AV1275","Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Nagaraja, P.","Proton-bifurcated C—H···(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride","Acta Crystallographica Section C","2006","62","1","o36","o38","10.1107/S0108270105038114","","","0.71073","MoKα","","0.0771","0.0564","","","0.1419","0.1524","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014301","19.279","0.003","9.4502","0.0011","11.3308","0.0016","90","","107.736","0.012","90","","1966.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","((±)trans-1,2cnH)~2~ tetrathiomolybdate(VI)","Bis[(±)trans-2-aminocyclohexylammonium] tetrathiomolybdate(VI)","","- C12 H30 Mo N4 S4 -","- C12 H30 Mo N4 S4 -","- C48 H120 Mo4 N16 S16 -","4","0.5","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0402","0.0244","","","0.0565","0.0605","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014302","7.0045","0.0012","9.6833","0.0018","10.53","0.002","108.621","0.01","92.564","0.01","106.24","0.01","642.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","","- C6 H16 Mo N2 S4 -","- C6 H16 Mo N2 S4 -","- C12 H32 Mo2 N4 S8 -","2","1","AV1276","Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang","Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI)","Acta Crystallographica Section C","2006","62","3","m98","m101","10.1107/S0108270106001685","","","0.71073","MoKα","","0.0456","0.0219","","","0.0497","0.0531","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014303","9.2875","0.0003","10.3056","0.0003","13.3897","0.0004","81.468","0.001","85.416","0.001","64.27","0.001","1141.55","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{tert-Butyl[(E)-2-(tert-butylimino)ethyl]amido-k^2^N,N'} [bis(trimethylsilyl)amido-κN]tin(II)","","- C16 H39 N3 Si2 Sn -","- C16 H39 N3 Si2 Sn -","- C32 H78 N6 Si4 Sn2 -","2","1","AV1279","Guzei, Ilia A.; Timokhin, Vitaliy I.; West, Robert","[Bis(trimethylsilyl)amido-κ<i>N</i>]{<i>tert</i>-butyl[(<i>E</i>)-2-(<i>tert</i>-butylimino)ethyl]amido-κ^2^<i>N</i>,<i>N</i>'}tin(II), a key intermediate in the synthesis of 1,3-di-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-1,3,2-diazastannole","Acta Crystallographica Section C","2006","62","3","m90","m92","10.1107/S0108270106001697","","","0.71073","Mo-Kα","","0.0332","0.0311","","","0.0784","0.0798","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014304","5.429","0.001","5.443","0.001","7.66","0.002","90","","90","","90","","226.35","0.08","293","2","293","2","","","","","","","","4","P b n m","-P 2c 2ab","62","Europium strontium manganite perovskite","Europium strontium manganese trioxide","","- Eu2.36 Mn4 O12 Sr1.64 -","- Eu0.589 Mn O3 Sr0.412 -","- Eu2.356 Mn4 O12 Sr1.648 -","4","0.5","BC1078","Rafael Tamazyan; Nicola Rotiroti; Sander van Smaalen; Yakov Mukovskii; A. Arsenov","Twinning and structure of Eu~0.6~Sr~0.4~MnO~3~","Acta Crystallographica Section C","2006","62","1","i3","i5","10.1107/S0108270105036644","","","0.71069","MoKα","","0.0832","0.0399","","","0.0405","0.0438","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014305","11.28","0.0011","11.28","0.0011","9.6375","0.0011","90","","90","","120","","1061.97","0.19","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Iron(III) hypophosphite","Iron(III) tris[dihydrogenphosphate(I)]","","- Fe H6 O6 P3 -","- Fe H6 O6 P3 -","- Fe6 H36 O36 P18 -","6","0.333333","BC1084","Kuratieva, Natalia V.; Naumov, Dmitry Yu.","Iron(III) dihydrogenphosphate(I)","Acta Crystallographica Section C","2006","62","1","i9","i10","10.1107/S0108270105038035","","","0.71073","MoKα","","0.0403","0.0299","","","0.0693","0.0732","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014306","10.3273","0.0003","10.3273","0.0003","37.098","0.002","90","","90","","120","","3426.5","0.2","173","","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Calcium sodium vanadate phosphate whitlockite","Calcium sodium vanadate phosphate","","- Ca8.42 Na1.16 O28 P7 V -","- Ca8.418 Na1.164 O28 P7 V -","- Ca50.508 Na6.984 O168 P42 V6 -","6","0.333333","BC1085","Alexander A. Tsirlin; Evgeniy V. Dikarev; Roman V. Shpanchenko; Evgeny V. Antipov","A new whitlockite, Ca~8.42~Na~1.16~V(PO~4~)~7~","Acta Crystallographica Section C","2006","62","2","i13","i15","10.1107/S0108270105039041","","","0.71069","MoKα","","0.016","0.016","","","0.0479","0.048","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014307","6.1393","0.0015","6.386","0.002","12.005","0.003","81.75","0.04","85.76","0.03","86.18","0.03","463.8","0.2","291","2","","","","","","","","","","6","P -1","-P 1","2","","molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","","- C7 H Cu3 Mo O7.5 Te -","- Cl2 Cu3 H Mo O7.5 Te -","- Cl4 Cu6 H2 Mo2 O15 Te2 -","2","1","BC1088","Takagi, Rie; Fabienne Duc; Johnsson, Mats; molybdenum(VI) tricopper(II) tellurium(IV) heptaoxide dichloride hemihydrate","MoCu~3~TeO~7~Cl~2~·0.5H~2~O","Acta Crystallographica Section C","2006","62","2","i16","i18","10.1107/S0108270106000679","","","0.71073","MoKα","","","0.0266","","","","0.0539","","","","","","0.851","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014308","11.1709","0.0008","4.9674","0.0007","10.5987","0.0008","90","","90","","90","","588.13","0.1","290","","290","","","","","","","","","4","P c c n","-P 2ab 2ac","56","lead dizinc orthoborate","Lead zinc borate","","- B2 O6 Pb Zn2 -","- B2 O6 Pb Zn2 -","- B8 O24 Pb4 Zn8 -","4","0.5","BC1089","Chen, Xue-An; Zhao, Ying-Hua; Chang, Xin-An; Zhang, Li; Xue, Hai-Ping","Lead zinc borate, PbZn~2~(BO~3~)~2~","Acta Crystallographica Section C","2006","62","1","i11","i12","10.1107/S0108270105040709","","","0.71073","MoKα","","0.0605","0.0449","","","0.136","0.1449","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014309","8.496","0.004","13.274","0.006","6.292","0.004","90","","90","","90","","709.6","0.6","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","rubidium tetraberyllium tris(borate)","rubidium tetraberyllium tris(borate)","","- B3 Be4 O9 Rb -","- B3 Be4 O9 Rb -","- B12 Be16 O36 Rb4 -","4","0.5","BC1092","Xiao-Hong Wen; R.-K. Li; C.-T. Chen","A new rubidium beryllium borate, RbBe~4~(BO~3~)~3~","Acta Crystallographica Section C","2006","62","3","i21","i23","10.1107/S0108270106003131","","","0.71073","MoKα","","0.0484","0.0436","","","0.1078","0.1122","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014310","10.546","0.002","12.95","0.003","16.033","0.003","90","","90.58","0.03","90","","2189.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","","- C22 H54 N4 O28 V10 -","- C22 H54 N4 O28 V10 -","- C44 H108 N8 O56 V20 -","2","0.5","BG1023","Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou","Tetrapiperidinium di-μ-methoxy-di-μ~5~-oxo-tetra-μ~3~-oxo-dodeca-μ~2~-oxo-octaoxodecavanadate","Acta Crystallographica Section C","2006","62","2","m60","m62","10.1107/S0108270105042241","","","0.71073","MoKα","","0.0417","0.031","","","0.0854","0.0929","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014311","19.014","0.003","6.8434","0.001","9.4203","0.0014","90","","90","","90","","1225.8","0.3","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[tetraaqua-μ~3~-malonato-malonatobarium(II)zinc(II)]","","- C6 H12 Ba O12 Zn -","- C6 H12 Ba O12 Zn -","- C24 H48 Ba4 O48 Zn4 -","4","0.5","BM1619","Guo Ming-Lin; Guo Chen-Hu","Poly[tetraaquadi-μ~4~-malonato-barium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","1","m7","m9","10.1107/S0108270105036358","","","0.71073","MoKα","","0.0275","0.0194","","","0.0429","0.0456","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014312","9.943","0.003","5.351","0.002","11.154","0.003","90","","105.38","0.03","90","","572.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Tyrosine methyl ester hydrochloride","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C20 H28 Cl2 N2 O6 -","2","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","0.71073","MoKα","","0.0545","0.0422","","","0.0881","0.0913","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014313","5.424","0.002","11.08","0.003","21.647","0.005","90","","90","","90","","1300.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-tyrosine methyl ester hydrochloride methanol solvate","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride methanol solvate","","- C11 H18 Cl N O4 -","- C11 H18 Cl N O4 -","- C44 H72 Cl4 N4 O16 -","4","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","1.5418","CuKα","","0.0415","0.0403","","","0.107","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014314","10.3541","0.0012","13.5873","0.0015","21.746","0.003","90","","103.791","0.005","90","","2971.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate","","- C26 H31 Cl3 Fe N7 O3 -","- C26 H31 Cl3 Fe N7 O3 -","- C104 H124 Cl12 Fe4 N28 O12 -","4","1","BM3001","Feng, Si-Si; Lu, Li-Ping; Wang, Shu-Xia; Li, Li; Zhu, Miao-Li","<i>cis</i>-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate: hydrogen bonding changing the arrangement of tapes built from π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","3","m105","m108","10.1107/S0108270106002630","","","0.71073","MoKα","","0.0642","0.0441","","","0.104","0.113","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014315","4.9402","0.0002","5.6847","0.0003","25.9862","0.0013","90","","94.495","0.002","90","","727.54","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","BM3004","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(1<i>H</i>-Indol-3-ylcarbonyl)-<i>N</i>-(4-methoxybenzyl)formamide","Acta Crystallographica Section C","2006","62","3","o153","o154","10.1107/S0108270106003441","","","0.71073","MoKα","","0.0602","0.0392","","","0.0827","0.0909","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014316","35.62","0.011","4.9487","0.0016","9.406","0.003","90","","90.447","0.005","90","","1658","0.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","n-hexadecanoic acid","","- C16 H32 O2 -","- C16 H32 O2 -","- C64 H128 O8 -","4","1","DN3001","Moreno, Evelyn; Cordobilla, Raquel; Calvet, Teresa; Lahoz, Fernando J.; Balana, Ana I.","The <i>C</i> form of <i>n</i>-hexadecanoic acid","Acta Crystallographica Section C","2006","62","3","o129","o131","10.1107/S0108270106003106","","","0.71073","MoKα","","0.1283","0.0921","","","0.2406","0.2625","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014317","9.6673","0.0007","9.6787","0.0007","15.588","0.0018","90","","107.131","0.002","90","","1393.8","0.2","293","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0972","0.0412","","","0.1229","0.1449","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014318","16.163","0.001","6.578","0.001","13.583","0.001","90","","93.73","0.02","90","","1441.1","0.3","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","EM1003","Jose G. Trujillo-Ferrara; Rosa Luisa Santillán-Baca; Norberto Farfán-García; Itzia I. Padilla-Martínez; Efrén V. García-Báez","Two isomeric butadiene‒<i>N</i>-(acetoxyphenyl)maleimide Diels‒Alder adducts: supramolecular structure directed by C—H···<i>X</i> (<i>X</i> = O and π) hydrogen bonds and perpendicular dipole carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","3","o125","o128","10.1107/S0108270106002186","","","0.71073","MoKα","","0.0897","0.0505","","","0.1663","0.1822","","","","","","1.139","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014319","18.513","0.002","13.916","0.001","9.6383","0.0007","90","","90","","90","","2483.1","0.4","293","2","293","2","","","","","","","","4","P m m a","-P 2a 2a","51","","Poly[caesium [[μ~4~-carbido-dodecakis-μ~2~-chloro-hexazirconium]-tri-μ~2~-chloro]]","","- C Cl15 Cs Zr6 -","- C Cl15 Cs Zr6 -","- C4 Cl60 Cs4 Zr24 -","4","0.5","FA1155","Rohm, Henning W.; Köckerling, Martin","Cation distribution in the zirconium chloride cluster phase Cs[(Zr~6~C)Cl~15~]","Acta Crystallographica Section C","2006","62","2","i19","i20","10.1107/S0108270105043076","","","0.71073","MoKα","","0.0583","0.0455","","","0.117","0.1275","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014320","8.7074","0.0017","17.749","0.004","14.081","0.003","90","","104.53","0.03","90","","2106.6","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Methoxyethoxy)ethyl 4-[5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3- yl)diazenyl]benzoate","","- C21 H24 N4 O6 -","- C21 H24 N4 O6 -","- C84 H96 N16 O24 -","4","1","FA1171","Qian, Hui-Fen; Huang, Wei","An azo dye molecule having a pyridine-2,6-dione backbone","Acta Crystallographica Section C","2006","62","2","o62","o64","10.1107/S0108270105041211","","","0.71073","MoKα","","0.0583","0.0537","","","0.1391","0.142","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014321","7.6594","0.0002","7.7717","0.0001","8.7972","0.0002","113.248","0.001","108.653","0.001","97.495","0.001","435.608","0.017","293","","293","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]","","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","- C8 H8 Cu3 Na2 O16 -","1","0.5","FA1173","Amalija Golobič; Martina Malekovič; Primož Šegedin","<i>catena</i>-Poly[disodium [[diformatotricopper(II)]-di-μ~3~-formato-tetra-μ~2~-formato]]: a new mode of bridging between binuclear and mononuclear formate‒copper(II) units","Acta Crystallographica Section C","2006","62","3","m102","m104","10.1107/S0108270106001636","","","0.71073","MoKα","","","0.052","","","","0.152","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014322","19.357","0.003","16.537","0.002","21.783","0.003","90","","97.09","0.01","90","","6919.6","1.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[phthalocyaninato(2-)]arsenic(III)} octaiododiarsenic(III)","","- C64 H32 As4 I8 N16 -","- C64 H32 As4 I8 N16 -","- C256 H128 As16 I32 N64 -","4","0.5","FA1174","Jan Janczak; Genivaldo Júlio Perpétuo","Bis{[phthalocyaninato(2‒)]arsenic(III)} octaiododiarsenic(III)","Acta Crystallographica Section C","2006","62","2","m45","m47","10.1107/S0108270105042113","","","0.71073","MoKα","","0.0765","0.0488","","","0.1196","0.1386","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014323","10.7354","0.0006","22.1257","0.0012","23.6103","0.0013","99.38","0.001","95.008","0.001","92.238","0.001","5503.9","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C192 H208 Co12 F48 N32 O32 P8 -","4","2","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.8461","synchrotron","","0.0636","0.0556","","","0.1462","0.1521","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014324","10.688","0.004","11.839","0.004","12.48","0.004","98.149","0.005","103.605","0.005","111.722","0.005","1379.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","di-μ~3~-acetato-1κ^2^O,O':2κO';2κO:3κ^2^O,O'-di-μ~2~-acetato- 1κO:2κO';2κO:3κO'-octapyridyl-1κ^3^N,2κ^2^N,3κ^3^N-tricobalt(II) bis(hexafluorophosphate)","","","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","- C48 H52 Co3 F12 N8 O8 P2 -","1","0.5","FA1176","Jonathan C. Burley; Timothy J. Prior","Insights into crystallization mechanism: a synchrotron study of polymorphism in a cobalt acetate cluster compound","Acta Crystallographica Section C","2006","62","2","m63","m66","10.1107/S0108270105041570","","","0.6711","synchrotron","","0.1043","0.0723","","","0.1948","0.2144","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014325","5.1761","0.0004","13.9774","0.0011","16.8689","0.0014","90","","90","","90","","1220.44","0.17","298","2","298","1","","","","","","","Hagendorf pegmatite, Bavaria, Germany","6","C m c m","-C 2c 2","","","iron manganese zinc tris(phosphate) pentahydroxide","Frondelite","- Fe4.32 H5 Mn0.62 O17 P3 Zn0.06 -","- Fe4.32 H3 Mn0.62 O17 P3 Zn0.06 -","- Fe17.28 H12 Mn2.48 O68 P12 Zn0.24 -","4","0.25","FA1177","Redhammer, Günther J.; Roth, Georg; Tippelt, Gerold; Bernroider, Manfred; Lottermoser, Werner; Amthauer, Georg; Hochleitner, Rupert","Manganoan rockbridgeite Fe~4.32~Mn~0.62~Zn~0.06~(PO~4~)~3~(OH)~5~: structure analysis and ^57^Fe Mössbauer spectroscopy","Acta Crystallographica Section C","2006","62","3","i24","i28","10.1107/S0108270106002472","","","0.71073","MoKα","","","0.039","","","","0.078","","","","","","1.393","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2014326","5.4845","0.0002","6.4997","0.0003","7.6758","0.0003","84.121","0.002","73.816","0.003","71.792","0.003","249.587","0.019","120","2","150","2","","","","","","","","4","P -1","-P 1","2","2-mercaptothiazoline","1,3-thiazolidine-2-thione","","- C3 H5 N S2 -","- C3 H5 N S2 -","- C6 H10 N2 S4 -","2","1","FA1178","Corrêa, Rodrigo S.; Santana, Sarita A.; Salloum, Rogêrio; Silva, Rosalice M.; Doriguetto, Antônio C.","A triclinic polymorph of 1,3-thiazolidine-2-thione (2-mercaptothiazoline)","Acta Crystallographica Section C","2006","62","3","o115","o117","10.1107/S0108270106002484","","","0.71073","MoKα","","","0.0259","","","","0.0628","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014327","16.9692","0.0011","5.2167","0.0003","12.4065","0.0008","90","","90.942","0.001","90","","1098.11","0.12","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-isoleucyl-L-serin 0.33-hydrate","","- C9 H18.67 N2 O4.33 -","- C9 H18.668 N2 O4.334 -","- C36 H74.672 N8 O17.336 -","4","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0365","0.0339","","","0.0884","0.091","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014328","7.6434","0.0007","5.7609","0.0005","13.4396","0.0012","90","","93.754","0.004","90","","590.51","0.09","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-phenylalanyl-L-serine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0329","0.0307","","","0.0826","0.084","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014329","16.791","0.004","5.0711","0.0011","26.851","0.006","90","","100.926","0.004","90","","2244.9","0.9","105","2","105","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-Methionyl-L-Serine 0.34-hydrate","","- C8 H16.68 N2 O4.34 S -","- C8 H16.6775 N2 O4.33875 S -","- C64 H133.42 N16 O34.71 S8 -","8","2","FG1882","Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian","<small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate","Acta Crystallographica Section C","2006","62","1","o22","o25","10.1107/S0108270105038928","","","0.71073","MoKα","","0.0897","0.0726","","","0.1937","0.2011","","","","","","1.54","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014330","5.97","0.001","6.775","0.001","13.335","0.003","85.23","0.03","83.31","0.03","83.22","0.03","530.62","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","glycin cobalt sulphate pentahydrate","hexaaquacobalt(II) tetraaquadiglycinatocobalt(II) sulfate","","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","- C4 H30 Co2 N2 O22 S2 -","1","0.5","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0216","0.0202","","","0.0511","0.0519","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014331","17.775","0.004","7.311","0.001","22.595","0.005","90","","100.1","0.03","90","","2890.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","glycine sodium thiosulphate dihydrate","poly[diaqua-μ~3~-glycinato-di-μ~4~-thiosulfato-thiosulfatotetrasodium(I)","","- C2 H9 N Na4 O10 S4 -","- C2 H9 N Na4 O10 S4 -","- C16 H72 N8 Na32 O80 S32 -","8","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.029","0.0249","","","0.0625","0.0649","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014332","5.63","0.001","20.244","0.004","7.762","0.002","90","","94.33","0.03","90","","882.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","glycin potassium thiosulphate","poly[μ~2~-glycinato-μ~4~-thiosulfato-dipotassium(I)]","","- C2 H5 K2 N O5 S2 -","- C2 H5 K2 N O5 S2 -","- C8 H20 K8 N4 O20 S8 -","4","1","FG3001","Michel Fleck; Ladislav Bohatý","Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate","Acta Crystallographica Section C","2006","62","1","m22","m26","10.1107/S0108270105040606","","","0.71073","MoKα","","0.0287","0.0229","","","0.0561","0.0582","","","","","","1.095","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014333","12.541","0.003","9.5315","0.0019","15.989","0.003","90","","110.91","0.03","90","","1785.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(azonia-12-crown-4) bis(4-aminobenzoate) trihydrate","bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","","- C30 H54 N4 O13 -","- C30 H54 N4 O13 -","- C60 H108 N8 O26 -","2","1","FG3002","Basok, Stepan S.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Eduard V.; Simonov, Yurii A.","Hierarchy of hydrogen bonding in bis(1,4,7-trioxa-10-azoniacyclododecane) bis(4-aminobenzoate) trihydrate","Acta Crystallographica Section C","2006","62","1","o50","o52","10.1107/S0108270105040667","","","0.71073","MoKα","","0.0457","0.0301","","","0.0584","0.0618","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014334","7.224","0.002","8.701","0.002","10.382","0.003","103.51","0.03","98.97","0.03","110.98","0.03","571.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","N-(5-bromo-2-pyridyl)aminomethane-1,1-diphosphonic acid","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","","- C6 H9 Br N2 O6 P2 -","- C6 H9 Br N2 O6 P2 -","- C12 H18 Br2 N4 O12 P4 -","2","1","FG3003","Ewa Matczak-Jon; Katarzyna Ślepokura; Paweł Kafarski","[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate","Acta Crystallographica Section C","2006","62","3","o132","o135","10.1107/S0108270106002423","","","0.71073","MoKα","","0.0467","0.034","","","0.0674","0.0713","","","","","","1.081","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014335","6.448","0.0011","14.099","0.002","15.924","0.002","90","","94.617","0.012","90","","1443","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","GA1110","Leji Latheef; E. Manoj; M. R. Prathapachandra Kurup","Salicylaldehyde 4,4'-(hexane-1,6-diyl)thiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o16","o18","10.1107/S010827010503564X","","","0.71073","MoKα","","0.1402","0.0444","","","0.089","0.1102","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014336","12.6628","0.001","18.8367","0.0015","20.138","0.0016","90","","95.789","0.001","90","","4778.9","0.7","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Cu(phen)~3~][Hg~2~I~6~] DMSO H~2~O","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","","- C38 H32 Cu Hg2 I6 N6 O2 S -","- C38 H31 Cu Hg2 I6 N6 O2 S -","- C152 H124 Cu4 Hg8 I24 N24 O8 S4 -","4","1","GA1111","Oh, Myeong-Jin; Lee, Yong-Min; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak","Tris(1,10-phenanthroline)copper(II) di-μ-iodo-bis(diiodomercurate) dimethyl sulfoxide monohydrate","Acta Crystallographica Section C","2006","62","2","m51","m53","10.1107/S0108270105043088","","","0.71073","MoKα","","0.085","0.0411","","","0.08","0.0943","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014337","7.2388","0.0005","22.3068","0.0011","7.7746","0.0005","90","","108.884","0.005","90","","1187.83","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","di-μ-pyridazine-1κ^2^N:2κN'-bis[(2,3-dihydro-3- oxobenzisosulfonazolato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C44 H32 Ag4 N12 O12 S4 -","2","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0297","0.0262","","","0.0624","0.0634","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014338","7.3231","0.0008","7.7516","0.0009","11.5389","0.0014","73.09","0.009","83.087","0.01","71.148","0.009","592.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","di-μ-pyridazine-1κ^2^N:2κN'-bis[(saccharinato)silver(I)]","","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","- C22 H16 Ag2 N6 O6 S2 -","1","0.5","GD1419","Hamamci, Sevim; Yilmaz, Veysel T.; Büyükgüngör, Orhan","Monoclinic and triclinic concomitant polymorphs of di-μ-pyridazine-1κ^2^<i>N</i>:2κ^2^<i>N</i>'-bis[(saccharinato)silver(I)]","Acta Crystallographica Section C","2006","62","1","m1","m3","10.1107/S0108270105036334","","","0.71073","MoKα","","0.0289","0.0251","","","0.0658","0.0664","","","","","","1.083","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014339","21.131","0.004","6.8459","0.0011","15.376","0.003","90","","103.135","0.002","90","","2166.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-biphenyldicarboxylic acid‒2,5-bis(4-pyridyl)-1,3,4-oxadiazole (1/1)","","- C26 H18 N4 O5 -","- C26 H18 N4 O5 -","- C104 H72 N16 O20 -","4","0.5","GD1421","Miao Du; Yan-Ping You; Zhi-Hui Zhang","Hydrogen-bonded sheets in the 1:1 cocrystal of biphenyl-4,4'-dicarboxylic acid with 2,5-di-4-pyridyl-1,3,4-oxadiazole","Acta Crystallographica Section C","2006","62","1","o33","o35","10.1107/S0108270105039077","","","0.71073","MoKα","","0.0634","0.0386","","","0.1021","0.1112","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014340","9.0606","0.0018","7.2027","0.0014","13.309","0.003","90","","119.96","0.03","90","","752.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-dihydroxynaphthalene","Naphthalene-1,3-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","GD1424","Marciniak, Bernard; Rozycka-Sokolowska, Ewa; Pavlyuk, Volodymyr","Naphthalene-1,3-diol","Acta Crystallographica Section C","2006","62","2","o68","o70","10.1107/S010827010504093X","","","0.71073","MoKα","","0.0594","0.0489","","","0.1129","0.1192","","","","","","1.171","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014341","8.7638","0.0007","12.4371","0.001","13.572","0.0011","110.55","0.006","97.483","0.007","101.857","0.006","1322.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Disodium 2,5-dianilinoterephthalate decahydrate","","- C20 H34 N2 Na2 O14 -","- C20 H33 N2 Na2 O14 -","- C40 H66 N4 Na4 O28 -","2","1","GD1425","Schmidt, Martin U.; Schmiermund, Torsten; Bolte, Michael","Disodium 2,5-bis(phenylamino)terephthalate decahydrate, an intermediate in the industrial synthesis of quinacridone pigments","Acta Crystallographica Section C","2006","62","2","m37","m40","10.1107/S0108270105040114","","","0.71073","MoKα","","0.0618","0.0507","","","0.1342","0.1411","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014342","14.9018","0.0017","16.7328","0.0017","12.5546","0.0014","90","","113.446","0.002","90","","2872","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]zinc(II)","","- C11 H16 Cl2 N4 Zn -","- C11 H16 Cl2 N4 Zn -","- C88 H128 Cl16 N32 Zn8 -","8","1","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0249","0.0236","","","0.0634","0.0643","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014343","7.7033","0.0017","9.232","0.002","11.513","0.002","112.752","0.019","102.34","0.02","97.28","0.03","717.4","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis{chloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]cadmium(II)}","","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","- C22 H32 Cd2 Cl4 N8 -","1","0.5","GD1428","Cheng, Mei-Ling; Li, Hong-Xi; Zhang Yong; Lang, Jian-Ping","Dichloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]cadmium(II)}","Acta Crystallographica Section C","2006","62","2","m74","m77","10.1107/S0108270106001387","","","0.7107","MoKα","","0.0189","0.0177","","","0.0438","0.0444","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014344","15.0755","0.0011","10.6965","0.0005","10.5305","0.0007","90","","107.123","0.005","90","","1622.83","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ammonium O,O-dicyclohexyl phosphorodithioate","","- C12 H26 N O2 P S2 -","- C12 H26 N O2 P S2 -","- C48 H104 N4 O8 P4 S8 -","4","1","GD3002","Mustafa Serkan Soylu; Mehtap Yağan; Nezihe Çalıs̨kan; Bekir Batı; Orhan Büyükgüngör","Ammonium <i>O</i>,<i>O</i>-dicyclohexyl phosphorodithioate","Acta Crystallographica Section C","2006","62","3","o145","o147","10.1107/S0108270106003969","","","0.71073","MoKα","","0.052","0.0387","","","0.1009","0.1063","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014345","12.3571","0.0006","6.5465","0.0002","15.1231","0.0006","90","","95.556","0.004","90","","1217.65","0.09","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","","- C3 H21 N3 O8 P2 -","- C3 H21 N3 O8 P2 -","- C12 H84 N12 O32 P8 -","4","1","GG1289","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Dušek, Michal","Tris(methylammonium) hydrogenphosphate dihydrogenphosphate","Acta Crystallographica Section C","2006","62","2","o73","o75","10.1107/S0108270105041934","","","0.71069","MoKα","","0.032","0.026","","","0.0766","0.08","","","","","","1.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014346","14.628","0.001","28.573","0.005","17.324","0.002","90","","106.39","0.05","90","","6947","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris{chloro[6-(1-diphenylphosphinoxy-1-methylethyl)-2- ethylpyridine-κ^2^N,P]methylpalladium(II)} chloroform solvate","","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C67 H76 Cl6 N3 O3 P3 Pd3 -","- C268 H304 Cl24 N12 O12 P12 Pd12 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1065","0.0587","","","0.1047","0.1234","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014347","10.151","0.001","11.461","0.001","12.106","0.002","95.4","0.05","109.93","0.05","112.23","0.05","1184.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","dichloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]palladium(II)","","- C26 H24 Cl2 N P Pd -","- C26 H24 Cl2 N P Pd -","- C52 H48 Cl4 N2 P2 Pd2 -","2","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.0402","0.0305","","","0.0719","0.0776","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014348","11.507","0.001","12.011","0.002","17.49","0.002","90","","99.92","0.05","90","","2381.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro[2-(2,6-dimethylphenyl)-6-(diphenylphosphanomethyl)pyridine- κ^2^N,P]methylpalladium(II)","","- C27 H27 Cl N P Pd -","- C27 H27 Cl N P Pd -","- C108 H108 Cl4 N4 P4 Pd4 -","4","1","GG1299","Magno Agostinho; Andrei Banu; Pierre Braunstein; Richard Welter; Xavier Morise","New palladium complexes with phosphino- and phosphinitopyridine ligands","Acta Crystallographica Section C","2006","62","3","m81","m86","10.1107/S0108270106001296","","","0.71069","MoKα","","0.1214","0.0553","","","0.0934","0.1123","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014349","36.496","0.007","4.603","0.0009","12.231","0.002","90","","95.06","0.03","90","","2046.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis[4-(salicylideneamino)phenyl]methane","2,2'-[methylenedi-p-phenylenebis(nitrilomethylidyne)]diphenol","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","0.5","GG1307","Henrik Birkedal; Philip Pattison","Bis[4-(salicylideneamino)phenyl]methane","Acta Crystallographica Section C","2006","62","3","o139","o141","10.1107/S0108270106003283","","","0.8","synchrotron","","0.061","0.0562","","","0.163","0.1676","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014350","10.0911","0.0006","12.279","0.0007","11.1598","0.0007","90","","104.24","0.001","90","","1340.31","0.14","118","2","118","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium risedronate dihydrate","Ammonium [1-hydroxy-1-phosphono-2-(pyridinium-3-yl)ethyl]phosphonate dihydrate","","- C7 H18 N2 O9 P2 -","- C7 H18 N2 O9 P2 -","- C28 H72 N8 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0628","0.0478","","","0.1054","0.1113","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014351","6.5356","0.0004","28.1606","0.0017","6.9636","0.0004","90","","95.993","0.001","90","","1274.62","0.13","118","2","118","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","potassium risedronate dihydrate","monopotassium [1-hydroxy-1-phosphono-2-(pyridinum-3-yl)ethyl]phosphonate dihydrate","","- C7 H14 K N O9 P2 -","- C7 H14 K N O9 P2 -","- C28 H56 K4 N4 O36 P8 -","4","1","GZ1022","Stahl, Kenny; Oddershede, Jette; Preikschat, Herbert; Fischer, Erik; Bennekou, Jacob S.","Ammonium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate and potassium 1-hydroxy-2-(2-pyridinio)ethane-1,1-diyldiphosphonate dihydrate","Acta Crystallographica Section C","2006","62","3","m112","m115","10.1107/S0108270106002782","","","0.71073","MoKα","","0.0397","0.0341","","","0.0856","0.088","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014352","17.585","0.002","6.8615","0.0005","13.9453","0.0016","90","","103.035","0.01","90","","1639.3","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","meso-4,5-diphenyl-3,6-diazaoctane-1,8-diol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","GZ1025","Dinçer, Muharrem; Özdemir, Namık; Saydam, Sinan; Bekaroğlu, Özer; Büyükgüngör, Orhan","Hydrogen bonding in <i>meso</i>-4,5-diphenyl-3,6-diazaoctane-1,8-diol: the formation of one-dimensional linear chains of edge-fused rings","Acta Crystallographica Section C","2006","62","2","o89","o91","10.1107/S0108270106001053","","","0.71073","MoKα","","0.06","0.0532","","","0.1424","0.1484","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014353","7.659","0.003","13.872","0.005","16.479","0.005","113.175","0.005","99.171","0.006","96.799","0.005","1557","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Daphnoretin","7-Hydroxy-6-methoxy-2-oxo-2H-chromen-3-yl 2-oxo-2H-chromen-7-yl ether","","- C19 H12 O7 -","- C19 H12 O7 -","- C76 H48 O28 -","4","2","GZ1026","Tian-Zhu Zhang; Chun-Yan Wei; Guo-Hai Xu; Se-Won Park","7-Hydroxy-6-methoxy-3-[(2-oxo-2<i>H</i>-1-benzopyran-7-yl)oxy]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","2006","62","2","o86","o88","10.1107/S0108270106000874","","","0.71073","MoKα","","0.0748","0.0452","","","0.0829","0.0933","","","","","","0.949","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014354","9.9776","0.0006","14.0647","0.0008","19.586","0.001","70.511","0.002","82.199","0.002","71.989","0.002","2462.5","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","trans-(12,12-dimethyl-1,4,7,10- tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","","- C32 H58 Co2 N16 O S8 Zn -","- C32 H58 Co2 N16 O S8 Zn -","- C64 H116 Co4 N32 O2 S16 Zn2 -","2","1","HJ1078","Neil F. Curtis; Kelly Flood; Ward T. Robinson","A cobalt(III) compound of a 13-membered cyclic tetraamine: <i>trans</i>-(12,12-dimethyl-1,4,7,10-tetraazacyclotetradecane)diisothiocyanatocobalt(III) tetraisothiocyanatozinc(II) ethanol solvate","Acta Crystallographica Section C","2006","62","2","m78","m80","10.1107/S0108270105042940","","","0.71073","MoKα","","0.0272","0.0236","","","0.0622","0.0644","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014355","13.2379","0.0007","7.8883","0.0004","29.4118","0.0017","90","","90","","90","","3071.3","0.3","114","2","114","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-diethyl-N'-(7-iodoquinolin-4-yl)ethane-1,2-diamine","","- C15 H20 I N3 -","- C15 H20 I N3 -","- C120 H160 I8 N24 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0661","0.0362","","","0.0708","0.0811","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014356","28.0177","0.0004","6.8221","0.0009","18.9339","0.0004","90","","113.61","0.03","90","","3316.1","0.9","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(7-bromoquinolin-4-yl)-N',N'-diethylethane-1,2-diamine dihydrate","","- C15 H24 Br N3 O2 -","- C15 H24 Br N3 O2 -","- C120 H192 Br8 N24 O16 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0667","0.0365","","","0.0701","0.0799","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014357","11.096","0.0002","14.6481","0.0003","15.1797","0.0004","79.552","0.001","88.019","0.001","72.336","0.001","2311.38","0.09","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","7-chloro-4-[2-(diethylammonio)ethylamino]quinolinium bis(dihydrogenphosphate) phosphoric acid","","- C15 H29 Cl N3 O12 P3 -","- C15 H29 Cl N3 O12 P3 -","- C60 H116 Cl4 N12 O48 P12 -","4","2","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.096","0.0542","","","0.1207","0.1397","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014358","7.324","0.0006","13.7493","0.0012","15.9016","0.0013","90","","90.72","0.002","90","","1601.2","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(dinitrato-κ^2^O,O')cadmium(II)]-μ-1,2,3,6,7,8- hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^]","","- C12 H14 Cd N6 O7 -","- C12 H14 Cd N6 O7 -","- C48 H56 Cd4 N24 O28 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0255","0.0222","","","0.0548","0.0562","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014359","12.257","0.0012","12.5085","0.0011","15.8471","0.0014","90","","102.687","0.002","90","","2370.3","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[(dinitrato-κ^2^O,O')cadmium(II)]-μ-2,2,7,7-tetramethyl- 1,2,3,6,7,8-hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^] chloroform solvate]","","- C17 H21 Cd Cl3 N6 O6 -","- C17 H21 Cd Cl3 N6 O6 -","- C68 H84 Cd4 Cl12 N24 O24 -","4","1","HJ1086","Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim","Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines","Acta Crystallographica Section C","2006","62","2","m70","m73","10.1107/S0108270106001181","","","0.71073","MoKα","","0.0287","0.0254","","","0.0621","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014360","12.517","0.001","10.206","0.001","14.704","0.002","90","","111.747","0.007","90","","1744.7","0.3","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1',5'-dimethylspiro[10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5,8'- 4'-oxatricyclo[5.1.0.0^3,5^]octane]-2',6'-dione","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.0863","","","","0.1884","","","","","","1.962","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014361","9.4653","0.0003","14.6974","0.0004","25.389","0.0009","90","","90","","90","","3532","0.19","213.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.077","","","","0.1761","","","","","","1.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014362","6.98","0.001","10.936","0.002","18.955","0.003","90","","93.901","0.002","90","","1443.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II)","","- C12 H14 Cl N3 Ni O S -","- C12 H14 Cl N3 Ni O S -","- C48 H56 Cl4 N12 Ni4 O4 S4 -","4","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0632","0.0454","","","0.1043","0.1132","","","","","","1.031","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014363","6.75","0.001","19.893","0.002","20.585","0.002","90","","90","","90","","2764.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[{4-chloro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","","- C11 H14 Cl N5 Ni O -","- C11 H14 Cl N5 Ni O -","- C88 H112 Cl8 N40 Ni8 O8 -","8","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0388","0.0295","","","0.0694","0.0738","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014364","12.2239","0.0002","12.2239","0.0002","12.2239","0.0002","90","","90","","90","","1826.54","0.05","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","tricesium lithium dicobalt tetrakis(tetraoxomolybdate)","","- Co2 Cs3 Li Mo4 O16 -","- Co2 Cs3 Li0.999999 Mo4 O16 -","- Co8 Cs12 Li4 Mo16 O64 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0254","0.0175","","","0.0368","0.038","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014365","11.9018","0.0014","11.9018","0.0014","11.9018","0.0014","90","","90","","90","","1685.9","0.3","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","trirubidium lithium dizinc tetrakis(tetraoxomolybdate)","","- Li Mo4 O16 Rb3 Zn2 -","- Li0.999999 Mo4 O16 Rb3 Zn2 -","- Li4 Mo16 O64 Rb12 Zn8 -","4","0.0833333","IZ1066","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.; Zolotova, Evgeniya S.","New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the Cs~6~Zn~5~(MoO~4~)~8~ type","Acta Crystallographica Section C","2006","62","1","i6","i8","10.1107/S0108270105037121","","","0.71073","MoKα","","0.0124","0.0114","","","0.0258","0.0259","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014366","8.7549","0.0012","8.9042","0.0012","9.0128","0.0013","95.81","0.003","114.955","0.002","103.061","0.003","604.96","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","BMIMPF6","1-butyl-3-methylimidazolium hexafluorophosphate","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","JZ1769","Dibrov, Sergey M.; Kochi, Jay K.","Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate","Acta Crystallographica Section C","2006","62","1","o19","o21","10.1107/S0108270105037200","","","0.71073","MoKα","","0.0522","0.0434","","","0.1199","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014367","10.775","0.002","11.668","0.002","14.29","0.003","90","","100.572","0.003","90","","1766.1","0.6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{N-[2-(2-hydroxybenzamido)ethylammonioethyl]aminocarbonyl}phenolate","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C72 H84 N12 O16 -","4","1","JZ1772","Liu, Hui-Min; He, Lei; Luo, Xiao-Lan; Zhang, Wen-Qin","A zwitterion of 1,5-bis(2-hydroxybenzamido)-3-azapentane: a two-dimensional hydrogen-bonding network involving dimers","Acta Crystallographica Section C","2006","62","2","o104","o106","10.1107/S0108270106001545","","","0.71073","MoKα","","0.0884","0.0413","","","0.097","0.1184","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014368","4.7087","0.0004","14.1428","0.0012","23.2401","0.0019","90","","90","","90","","1547.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl β-L-lactoside","Methyl 4-O-β-L-galactopyranosyl-β-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","JZ1778","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>L</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside (methyl β-<small>L</small>-lactoside)","Acta Crystallographica Section C","2006","62","2","o82","o85","10.1107/S010827010504254X","","","0.71073","MoKα","","0.0406","0.0333","","","0.0832","0.0876","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014369","5.473","0.0015","7.773","0.002","13.011","0.004","100.112","0.004","93.292","0.004","100.744","0.004","533","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","DL-lysine complex","bis(DL-lysinium) adipate","","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","1","0.5","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.048","0.044","","","0.1162","0.1195","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014370","10.532","0.003","7.2834","0.0017","10.599","0.003","90","","113.352","0.003","90","","746.4","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-lysine complex","L-lysine hydrogen adipate","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","1","JZ1784","Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.","X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine","Acta Crystallographica Section C","2006","62","3","o148","o152","10.1107/S0108270106003374","","","0.71073","MoKα","","0.0565","0.051","","","0.1299","0.1345","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014371","10.776","0.007","7.483","0.005","26.381","0.018","90","","99.406","0.01","90","","2099","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2H-chromen-2-one monohydrate","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","LN1189","Xiang Zhou; Xiao-Bing Wang; Ling-Yi Kong","Hydrogen bonding and π‒π stacking in 7-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy}-4-methyl-2<i>H</i>-chromen-2-one monohydrate","Acta Crystallographica Section C","2006","62","2","o58","o61","10.1107/S0108270105040928","","","0.71073","MoKα","","0.0828","0.0456","","","0.1016","0.1235","","","","","","1.027","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014372","8.5175","0.0006","11.3011","0.0008","17.0503","0.0013","90","","90","","90","","1641.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0292","0.0254","","","0.0576","0.0588","","","","","","0.954","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014373","8.5276","0.0006","11.309","0.0011","17.0624","0.0012","90","","90","","90","","1645.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,4R)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0298","0.0282","","","0.0755","0.0762","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014374","18.12","0.004","11.317","0.002","19.777","0.004","90","","90","","90","","4055.6","1.4","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","","- C22 H27 Cu N3 O2 -","- C22 H27 Cu N3 O2 -","- C176 H216 Cu8 N24 O16 -","8","1","LN3001","Mahbod Morshedi; Soraia Meghdadi; Schenk, Kurt J.","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","Acta Crystallographica Section C","2006","62","3","m87","m89","10.1107/S0108270105043258","","","0.71073","MoKα","","0.0736","0.0465","","","0.0896","0.0973","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014375","14.808","0.001","16.478","0.002","11.758","0.001","90","","90.84","0.01","90","","2868.7","0.5","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo- [bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","","- C8 H41 I3 N8 O11 P2 Pt2 -","- C8 H41 I3 N8 O11 P2 Pt2 -","- C32 H164 I12 N32 O44 P8 Pt8 -","4","1","OB1246","Matsushita, Nobuyuki","A one-dimensional iodine-bridged Pt^II^/Pt^IV^ mixed-valence complex, <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodo-[bis(ethylenediamine)platinum(IV)]-μ-iodo] hydrogenphosphate dihydrogenphosphate iodide trihydrate]","Acta Crystallographica Section C","2006","62","2","m33","m36","10.1107/S0108270105041247","","","0.71069","MoKα","","","0.0325","","","0.083","0.0836","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014376","9.815","0.003","13.105","0.003","32.039","0.007","90","","96.62","0.015","90","","4093.6","1.8","298","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","","- C35 H37 F12 N6 O1.5 P2 Pt -","- C35 H37 F12 N6 O1.5 P2 Pt -","- C140 H148 F48 N24 O6 P8 Pt4 -","4","1","RB1020","Rotondo, Archimede","(6,7-Dimethyl-2,3-di-2-pyridylquinoxaline)bis(3-methylpyridine)platinum(II) bis(hexafluorophosphate) acetone solvate 0.5-hydrate","Acta Crystallographica Section C","2006","62","1","m19","m21","10.1107/S0108270105040163","","","0.71073","MoKα","","","0.067","","","","0.1219","","","","","","1.016","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014377","10.3369","0.0011","9.6662","0.001","15.4737","0.0016","90","","105.72","0.002","90","","1488.3","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquamalonato(1,10-phenanthroline)zinc(II)","","- C15 H14 N2 O6 Zn -","- C15 H14 N2 O6 Zn -","- C60 H56 N8 O24 Zn4 -","4","1","SF1018","Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang","Diaquamalonato(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2006","62","1","m13","m15","10.1107/S0108270105038047","","","0.71073","MoKα","","0.0442","0.0328","","","0.0682","0.0713","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014378","5.5803","0.0003","11.5739","0.001","13.142","0.0008","90","","98.66","0.005","90","","839.11","0.1","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoin-4-ethylthiosemicarbazone","2-hydroxy-1,2-diphenylethanone 4-ethylthiosemicarbazone","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","SF1021","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","Benzoin 4-ethylthiosemicarbazone","Acta Crystallographica Section C","2006","62","1","o13","o15","10.1107/S0108270105037728","","","0.71073","MoKα","","0.0743","0.0483","","","0.1226","0.135","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014379","7.151","0.003","21.43","0.004","18.274","0.003","90","","95.479","0.01","90","","2787.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{cis-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2H-pyran- 4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","","- C30 H34 F N O7 S -","- C30 H34 F N O7 S -","- C120 H136 F4 N4 O28 S4 -","4","1","SF1022","Charlier, Caroline; Delayen, Aurelie; Norberg, Bernadette; Hénichart, Jean-Pierre; Wouters, Johan","(2<i>RS</i>,5<i>SR</i>,6<i>SR</i>)-Methyl 4-{<i>cis</i>-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate","Acta Crystallographica Section C","2006","62","2","o92","o94","10.1107/S0108270106001065","","","1.54178","CuKα","","0.0901","0.0605","","","0.1591","0.1763","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014380","10.333","0.002","28.914","0.005","41.642","0.008","90","","90","","90","","12441","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B3 N3 O6 -","- C45 H108 B9 N9 O18 -","- C360 H864 B72 N72 O144 -","8","1","SF1024","Gainsford, Graeme J.; Al-Salim, Najeh","Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound","Acta Crystallographica Section C","2006","62","2","o65","o67","10.1107/S0108270105041089","","","0.71073","MoKα","","0.1858","0.0695","","","0.1123","0.1447","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014381","11.3652","0.0002","16.3372","0.0003","14.0065","0.0003","90","","109.949","0.001","90","","2444.62","0.08","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile solvate","","- C48 H42 Cl2 Cu N14 O8 -","- C48 H42 Cl2 Cu N14 O8 -","- C96 H84 Cl4 Cu2 N28 O16 -","2","0.5","SF1025","Goodman, M. Scott; Goodman, Margaret A.; Kovalevsky, Andrey Y.; Nazarenko, Alexander Y.; Pope, Donald","Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section C","2006","62","2","m30","m32","10.1107/S0108270105041661","","","0.71073","MoKα","","0.0382","0.0323","","","0.085","0.0882","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014383","4.0511","0.0009","12.076","0.003","12.771","0.003","90","","90.287","0.012","90","","624.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(3-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","SK1880","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(3-Nitrophenylaminocarbonyl)benzoic acid: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) rings","Acta Crystallographica Section C","2006","62","1","o5","o7","10.1107/S0108270105033512","","","0.71073","MoKα","","0.1264","0.0671","","","0.147","0.2008","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014384","7.1162","0.0004","7.1895","0.0002","9.1695","0.0004","83.21","0.003","78.92","0.002","64.808","0.003","416.25","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-N,N'-bis(4-nitrobenzylidene)butane-1,4-diamine","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","1","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0498","0.0395","","","0.1069","0.1144","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014385","6.1908","0.0003","4.9761","0.0002","30.1095","0.0015","90","","94.331","0.003","90","","924.91","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,E)-N,N'-bis(4-nitrobenzylidene)hexane-1,6-diamine","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C40 H44 N8 O8 -","2","0.5","SK1882","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional supramolecular structures in (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)butane-1,4-diamine and (<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)hexane-1,6-diamine","Acta Crystallographica Section C","2006","62","1","o1","o4","10.1107/S0108270105035766","","","0.71073","MoKα","","0.0695","0.0445","","","0.1023","0.1133","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014386","8.0214","0.0003","13.7477","0.0004","13.2847","0.0004","90","","95.3019","0.0017","90","","1458.71","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 5-cyano-2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3-carboxylate","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C60 H60 N12 O20 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0657","0.0478","","","0.1218","0.1324","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014387","8.0511","0.0002","15.173","0.004","14.47","0.004","90","","105.76","0.002","90","","1701.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H20 N2 O7 -","- C17 H20 N2 O7 -","- C68 H80 N8 O28 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0626","0.0465","","","0.118","0.1275","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014388","9.5651","0.0003","7.5735","0.0002","17.6385","0.0005","90","","96.257","0.0013","90","","1270.14","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarbonitrile","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1887","Quesada, Antonio; DaSilva, Jacqueline A.; Squella, Juan A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded supramolecular structures of three related 4-(5-nitro-2-furyl)-1,4-dihydropyridines","Acta Crystallographica Section C","2006","62","1","o8","o12","10.1107/S0108270105037753","","","0.71073","MoKα","","0.0543","0.0392","","","0.0959","0.1051","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014389","5.5055","0.0002","11.8317","0.0003","13.5668","0.0004","83.321","0.0017","78.956","0.0017","86.396","0.0018","860.73","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenyl- 1H-pyrazole","","- C19 H16 Cl N5 O2 -","- C19 H16 Cl N5 O2 -","- C38 H32 Cl2 N10 O4 -","2","1","SK1888","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-Chloro-3-methyl-4-[3-(4-nitrophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-1-phenyl-1<i>H</i>-pyrazole: a chain of fused hydrogen-bonded rings","Acta Crystallographica Section C","2006","62","1","o30","o32","10.1107/S0108270105038023","","","0.71073","MoKα","","0.0589","0.0396","","","0.0925","0.1022","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014390","4.5664","0.0004","18.727","0.002","10.8416","0.001","90","","101.787","0.006","90","","907.57","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3,5-dinitrobenzoate","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.101","0.0577","","","0.1531","0.1744","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014391","9.7037","0.0003","5.7152","0.0002","20.4739","0.0009","90","","95.504","0.002","90","","1130.22","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 3,5-dinitrobenzoate","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C40 H40 N8 O24 -","4","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0532","0.0385","","","0.0957","0.1045","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014392","20.8531","0.0005","20.8531","0.0005","6.0377","0.0002","90","","90","","90","","2625.5","0.12","120","2","120","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Benzyl 3,5-dinitrobenzoate?","","- C14 H10 N2 O6 -","- C14 H10 N2 O6 -","- C112 H80 N16 O48 -","8","1","SK1889","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K","Acta Crystallographica Section C","2006","62","1","o26","o29","10.1107/S0108270105038631","","","0.71073","MoKα","","0.0581","0.0432","","","0.0958","0.103","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014393","9.4416","0.0009","9.4416","0.0009","20.213","0.004","90","","90","","90","","1801.9","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","glycine trichloroacetate","Glycinium trichloroacetate","","- C4 H6 Cl3 N O4 -","- C4 H6 Cl3 N O4 -","- C32 H48 Cl24 N8 O32 -","8","2","SK1890","Rodrigues, V. H.; Matos Beja, A.; Paixão, J. A.; Costa, M. M. R. R.","Glycinium trichloroacetate","Acta Crystallographica Section C","2006","62","2","o71","o72","10.1107/S0108270105040953","","","0.71073","MoKα","","0.0899","0.0451","","","0.1247","0.1454","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014394","11.2405","0.0002","18.8738","0.0003","21.0529","0.0003","90","","90","","90","","4466.39","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione","","- C26 H18 Cl3 N O2 -","- C26 H18 Cl3 N O2 -","- C208 H144 Cl24 N8 O16 -","8","1","SK1891","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of <i>R</i>~4~^4^(26) rings built from C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","1","o39","o41","10.1107/S0108270105039193","","","0.71073","MoKα","","0.0624","0.0421","","","0.1036","0.1156","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014395","5.5718","0.0005","13.4573","0.0017","5.7875","0.0005","90","","109.984","0.006","90","","407.83","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-1,3,4-thiadiazole","","- C2 H3 N3 S -","- C2 H3 N3 S -","- C8 H12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0656","0.0384","","","0.0935","0.102","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014396","9.1082","0.0012","6.9373","0.001","10.8048","0.0014","90","","116.656","0.009","90","","610.15","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-5-trifluoromethyl-1,3,4-thiadiazole","","- C3 H2 F3 N3 S -","- C3 H2 F3 N3 S -","- C12 H8 F12 N12 S4 -","4","1","SK1892","Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.","2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings","Acta Crystallographica Section C","2006","62","1","o42","o44","10.1107/S0108270105040126","","","0.71073","MoKα","","0.0633","0.0452","","","0.1048","0.1127","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014397","6.6765","0.0004","19.7961","0.0013","9.0675","0.0005","90","","113.595","0.004","90","","1098.25","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-Nitrophenylaminocarbonyl)propionic acid","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","SK1893","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","3-(3-Nitrophenylaminocarbonyl)propionic acid: hydrogen-bonded sheets of alternating <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(36) rings","Acta Crystallographica Section C","2006","62","1","o45","o46","10.1107/S0108270105040229","","","0.71073","MoKα","","0.0765","0.0435","","","0.1046","0.115","","","","","","0.913","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014398","6.4224","0.0003","7.2115","0.0005","23.6073","0.0016","90","","90","","90","","1093.38","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","SK1894","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K","Acta Crystallographica Section C","2006","62","1","o47","o49","10.1107/S0108270105040230","","","0.71073","MoKα","","0.0627","0.0538","","","0.138","0.1479","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014399","10.131","0.0003","17.2172","0.0006","14.4288","0.0005","90","","103.957","0.002","90","","2442.48","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorobenzaldehyde benzoylhydrazone","","- C14 H10 F2 N2 O -","- C14 H10 F2 N2 O -","- C112 H80 F16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.0967","0.0527","","","0.1137","0.1303","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014400","10.5093","0.0005","17.6499","0.0009","14.7982","0.0005","90","","104.732","0.002","90","","2654.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dichlorobenzaldehyde benzoylhydrazone","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C112 H80 Cl16 N16 O8 -","8","2","SK1895","Wardell, Solange M. S. V.; de Lima Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120K with <i>Z</i>' = 2: complex sheets built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","3","o118","o121","10.1107/S0108270106001995","","","0.71073","MoKα","","0.1182","0.061","","","0.1343","0.155","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014401","16.0941","0.0005","5.5573","0.0002","15.2495","0.0005","90","","96.2994","0.0017","90","","1355.68","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C60 H64 N16 S4 -","4","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0607","0.0442","","","0.1146","0.1243","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014402","7.9401","0.0002","8.8642","0.0003","11.3717","0.0004","68.771","0.0017","85.792","0.002","72.214","0.002","709.77","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine","","- C14 H13 N5 O2 S -","- C14 H13 N5 O2 S -","- C28 H26 N10 O4 S2 -","2","1","SK1896","Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher","Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","Acta Crystallographica Section C","2006","62","3","o122","o124","10.1107/S0108270106002952","","","0.71073","MoKα","","0.0662","0.0425","","","0.096","0.1064","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014403","28.007","0.002","7.6637","0.0006","13.3083","0.001","90","","93.937","0.004","90","","2849.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Racemic cis-methoxobis(2-methyl-3-oxo-4H-pyran-4-olato)oxovanadium(V)","","- C13 H13 O8 V -","- C13 H13 O8 V -","- C104 H104 O64 V8 -","8","1","SK1897","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Racemic <i>cis</i>-methoxobis(2-methyl-3-oxo-4<i>H</i>-pyran-4-olato)oxovanadium(V) redetermined at 120K: hydrogen-bonded ribbons containing <i>R</i>~2~^2^(7), <i>R</i>~2~^2^(14) and <i>R</i>~4~^4^(18) rings","Acta Crystallographica Section C","2006","62","3","m116","m118","10.1107/S0108270106003404","","","0.71073","MoKα","","0.1311","0.069","","","0.1344","0.1578","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014404","7.7824","0.0002","8.9623","0.0003","10.5078","0.0004","90","","95.261","0.002","90","","729.81","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine","","- C5 H9 N5 S -","- C5 H9 N5 S -","- C20 H36 N20 S4 -","4","1","SK1899","Cobo, Justo; Sánchez Rodrigo, Adolfo; Nogueras Montiel, Manuel; Low, John N.; Glidewell, Christopher","4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: π-stacked hydrogen-bonded sheets of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(10) and <i>R</i>~6~^6^(32) rings","Acta Crystallographica Section C","2006","62","3","o142","o144","10.1107/S0108270106003805","","","0.71073","MoKα","","0.0315","0.0285","","","0.0711","0.0729","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014405","17.859","0.002","17.994","0.002","8.692","0.001","90","","90","","90","","2793.2","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraethylammonium bis(N,N-diethyldithiocarbamato-κ^2^S,S')iodocadmate(II)","","- C18 H40 Cd I N3 S4 -","- C18 H40 Cd I N3 S4 -","- C72 H160 Cd4 I4 N12 S16 -","4","0.5","SK3001","Kropidłowska, Anna; Chojnacki, Jarosław; Becker, Barbara","Tetraethylammonium bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodocadmate(II)","Acta Crystallographica Section C","2006","62","3","m95","m97","10.1107/S010827010600206X","","","0.71073","MoKα","","0.0564","0.0542","","","0.1162","0.1175","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014406","9.654","0.002","7.769","0.002","5.5692","0.0014","90","","90","","90","","417.7","0.17","174","2","174","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","dimethyldithiocyanatotin(IV)","","- C4 H6 N2 S2 Sn -","- C4 H6 N2 S2 Sn -","- C8 H12 N4 S4 Sn2 -","2","0.25","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0096","0.009","","","0.0223","0.0224","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014407","14.449","0.004","5.5526","0.0014","12.66","0.003","90","","90","","90","","1015.7","0.5","174","2","174","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Diethyltindithiocyanatotin(IV)","","- C6 H10 N2 S2 Sn -","- C6 H10 N2 S2 Sn -","- C24 H40 N8 S8 Sn4 -","4","0.5","SK3002","Britton, Doyle","Dimethyl- and diethyldithiocyanatotin(IV)","Acta Crystallographica Section C","2006","62","3","m93","m94","10.1107/S0108270106002034","","","0.71073","MoKα","","0.0147","0.0137","","","0.0323","0.0327","","","","","","1.16","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014408","9.0642","0.0003","10.273","0.0003","12.1188","0.0004","108.051","0.017","98.741","0.002","107.517","0.002","985.03","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim picolinate","5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-d-aminopyrimidin-1-ium pyridine-2-carboxylate","","- C20 H23 N5 O5 -","- C20 H23 N5 O5 -","- C40 H46 N10 O10 -","2","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0613","0.0506","","","0.1322","0.1408","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014409","15.7666","0.0004","8.798","0.0001","18.5038","0.0004","90","","102.74","0.001","90","","2503.56","0.09","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","2-amino-4,6-dimethylpyrimidin-1-ium pyridine-2-carboxylate hemihydrate","","- C12 H15 N4 O2.5 -","- C12 H15 N4 O2.5 -","- C96 H120 N32 O20 -","8","1","SQ1233","Madhukar Hemamalini; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonding patterns in trimethoprim picolinate and 2-amino-4,6-dimethylpyrimidinium picolinate hemihydrate","Acta Crystallographica Section C","2006","62","2","o107","o110","10.1107/S0108270105037856","","","0.71073","MoKα","","0.0641","0.0601","","","0.1382","0.143","","","","","","1.255","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014410","10.7871","0.0004","11.8221","0.0004","12.7061","0.0005","91.609","0.002","90.39","0.002","92.774","0.002","1617.77","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-diphenylphosphinato-κ^2^O:O')bis[aqua(diphenylphosphinato- κO)bis(pyridine-κN)cobalt(II)]","","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","- C68 H64 Co2 N4 O10 P4 -","1","0.5","SQ1241","Liange de Oliveira Diehl; Márcia R. Siqueira; Robert A. Burrow","Bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(diphenylphosphinato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)cobalt(II)]","Acta Crystallographica Section C","2006","62","2","m67","m69","10.1107/S0108270106000680","","","0.71073","MoKα","","0.0565","0.0337","","","0.0843","0.091","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014411","16.7069","0.0007","7.8826","0.0003","21.2218","0.0008","90","","104.129","0.001","90","","2710.23","0.18","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","","- C38 H32 -","- C38 H32 -","- C152 H128 -","4","1","SQ3001","Sui, Yongqiang; Barnes, Charles; Glaser, Rainer","(±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene","Acta Crystallographica Section C","2006","62","2","o98","o100","10.1107/S0108270106000023","","","0.71073","MoKα","","0.0635","0.0445","","","0.1047","0.1135","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014412","6.3525","0.0008","9.0459","0.0011","10.3907","0.0012","84.282","0.002","72.332","0.002","89.558","0.002","565.94","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(4-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0361","0.0351","","","0.0965","0.0971","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014413","6.8637","0.0011","8.6257","0.0014","9.9497","0.0016","80.536","0.003","73.444","0.003","77.31","0.003","547.57","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(pentane-2,4-dionato-κ^2^O,O')zinc]-μ- 1,4-bis(3-pyridyl)-2,3-diazabuta-1,3-diene]","","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","- C22 H24 N4 O4 Zn -","1","0.5","SQ3002","Juan Granifo; María Teresa Garland; Ricardo Baggio","Two one-dimensional zinc(II) coordination polymers: <i>catena</i>-poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-1,4-bis(<i>x</i>-pyridyl)-2,3-diazabuta-1,3-diene] (<i>x</i> = 3, 4)","Acta Crystallographica Section C","2006","62","2","m56","m59","10.1107/S0108270106000540","","","0.71073","MoKα","","0.0711","0.054","","","0.115","0.1249","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014414","11.9816","0.001","12.5387","0.0013","6.4407","0.001","90","","114.621","0.008","90","","879.64","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium dimanganese aluminium tris(phosphate)","","- Al0.85 Mn2.48 Na1.5 O12 P3 -","- Al0.854 Mn2.435 Na1.51 O12 P3 -","- Al3.416 Mn9.74 Na6.04 O48 P12 -","4","0.5","TA1500","Hatert, Frédéric","Na~1.50~Mn~2.48~Al~0.85~(PO~4~)~3~, a new synthetic alluaudite-type compound","Acta Crystallographica Section C","2006","62","1","i1","i2","10.1107/S0108270105037236","","","0.71073","MoKα","","0.0403","0.0317","","","0.0717","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014415","16.492","0.003","16.804","0.003","24.519","0.005","90","","109.07","0.03","90","","6422","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-acetato-μ-{2-[N,N-bis(2-pyridylmethyl)aminomethyl]-6-[N-(3,5-di-tert- butyl-2-oxidobenzyl)-N-(2-pyridylmethylamino)amino]-4- methylphenolato}dimanganese(II,III) tetraphenylborate","","- C70 H75 B Mn2 N5 O6 -","- C70 H75 B Mn2 N5 O6 -","- C280 H300 B4 Mn8 N20 O24 -","4","1","TA1508","Bortoluzzi, Adailton J.; Neves, Ademir; Couto, Ricardo A. A.; Peralta, Rosely A.","A mixed-valence diacetate-bridged Mn^II^‒Mn^III^ complex incorporating a bridging phenolate ligand","Acta Crystallographica Section C","2006","62","2","m27","m29","10.1107/S0108270105039910","","","0.71073","MoKα","","0.202","0.0522","","","0.1087","0.1272","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014416","17.263","0.002","7.5673","0.0007","10.4757","0.0008","90","","93.128","0.008","90","","1366.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-amino-2-(2-O-methyl-β-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","1","TR1128","Zhang, Xiaomei; Budow, Simone; Leonard, Peter; Eickmeier, Henning; Seela, Frank","<i>N</i>^8^-(2'-<i>O</i>-Methylribofuranosyl)-8-aza-7-deazaadenine monohydrate","Acta Crystallographica Section C","2006","62","2","o79","o81","10.1107/S0108270105041983","","","0.71073","MoKα","","0.0371","0.0359","","","0.1064","0.1077","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014417","11.895","0.002","13.124","0.002","15.564","0.003","90","","104.66","0.02","90","","2350.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI)","Dichloro(dimethoxyethano)bis(para-toluenesulfonimino-N)molybdenum(VI)","","- C18 H24 Cl2 Mo N2 O6 S2 -","- C18 H24 Cl2 Mo N2 O6 S2 -","- C72 H96 Cl8 Mo4 N8 O24 S8 -","4","1","TY1010","Rufanov, Konstantin A.; Ziemer, Burkhard","Dichloro(1,2-dimethoxyethane)bis(tosylimido)molybdenum(VI), a versatile nitrene transfer reagent","Acta Crystallographica Section C","2006","62","2","m54","m55","10.1107/S0108270105042484","","","0.71073","MoKα","","0.0402","0.0307","","","0.0677","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014418","22.749","0.004","9.5867","0.0015","7.9484","0.0014","90","","99.787","0.005","90","","1708.2","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[cadmium(II)-μ~2~-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-di-μ~2~- thiocyanato]","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C56 H48 Cd4 N32 S8 -","4","0.5","TY1011","Bao-Zong Li; Xun-Gao Liu; Yan-Fen Peng; Bao-Long Li; Yong Zhang","A novel three-dimensional cadmium(II) coordination polymer incorporating 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate","Acta Crystallographica Section C","2006","62","2","m41","m44","10.1107/S0108270105042125","","","0.71073","MoKα","","0.0252","0.0227","","","0.0549","0.0562","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015222","8.9527","0.0012","10.7737","0.0014","16.977","0.002","74.525","0.002","78.926","0.002","70.318","0.002","1476.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II)","","- C21 H42 Fe N10 O3 -","- C21 H42 Fe N10 O3 -","- C42 H84 Fe2 N20 O6 -","2","1","AV1254","Ai-Hua Yuan; Xiao-Ping Shen; Hu Zhou","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane pentacyanonitrosoferrate(II) dihydrate: a supramolecular compound constructed by hydrogen bonds","Acta Crystallographica Section C","2006","62","4","m161","m162","10.1107/S0108270105035146","","","0.71073","MoKα","","0.0899","0.0575","","","0.1192","0.1261","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015223","27.066","0.002","12.4657","0.0011","21.3066","0.0019","90","","125.889","0.001","90","","5824","0.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tris(cyclohexane-1,2-diamine-κ^2^N,N')cobalt pentachloroplumbate sesquihydrate, [Co(C~6~H~14~N~2~)~3~][PbCl~5~].1.5H~2~O","","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C18 H45 Cl5 Co N6 O1.5 Pb -","- C144 H360 Cl40 Co8 N48 O12 Pb8 -","8","1","AV1278","Kalf, Irmgard; Englert, Ulli","The first salt of an isolated pentachloroplumbate(II) trianion","Acta Crystallographica Section C","2006","62","4","m129","m131","10.1107/S010827010600429X","","","0.71073","MoKα","","0.0335","0.0263","","","0.047","0.0479","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015224","11.6191","0.001","6.1749","0.0005","12.0431","0.001","90","","113.394","0.002","90","","793.03","0.12","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4- isopropyloxazolidin-2-one","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","AV1281","Hwang, In-Chul; Jang, Jung Hee; Kim, Taek Hyeon; Ha, Kwang","(4<i>S</i>)-3-[(2<i>R</i>,3<i>S</i>)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4-isopropyloxazolidin-2-one","Acta Crystallographica Section C","2006","62","4","o196","o198","10.1107/S0108270106004884","","","0.71073","MoKα","","0.1064","0.0404","","","0.0519","0.0614","","","","","","0.817","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015225","14.3475","0.0012","14.3475","0.0012","14.3475","0.0012","90","","90","","90","","2953.4","0.4","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]magnesium(II) chloroform disolvate","","- C20 H22 B2 Cl6 Mg N12 -","- C20 H22 B2 Cl6 Mg N12 -","- C80 H88 B8 Cl24 Mg4 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0612","0.0597","","","0.1229","0.1236","","","","","","1.222","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015226","14.6697","0.0009","14.6697","0.0009","14.6697","0.0009","90","","90","","90","","3156.9","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","bis[hydrotris(pyrazolyl)borato]calcium(II) chloroform disolvate","","- C20 H22 B2 Ca Cl6 N12 -","- C20 H22 B2 Ca Cl6 N12 -","- C80 H88 B8 Ca4 Cl24 N48 -","4","0.166667","BM1623","María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez","Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates","Acta Crystallographica Section C","2006","62","4","m132","m135","10.1107/S0108270106002575","","","0.71073","MoKα","","0.0521","0.0514","","","0.1082","0.1085","","","","","","1.308","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015227","7.898","0.005","8.4607","0.0019","13.587","0.002","90","","90","","90","","907.9","0.6","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclopentanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.4]nonane-2,4-dithione","","- C7 H10 N2 S2 -","- C7 H10 N2 S2 -","- C28 H40 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0849","0.0509","","","0.1118","0.1257","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015228","8.6896","0.001","12.2674","0.0015","9.7864","0.001","90","","109.86","0.09","90","","981.2","0.6","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cyclohexanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.5]decane-2,4-dithione","","- C8 H12 N2 S2 -","- C8 H12 N2 S2 -","- C32 H48 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0428","0.0364","","","0.0971","0.1015","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015229","7.4041","0.0014","17.859","0.004","8.4491","0.0014","90","","105.848","0.019","90","","1074.8","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cycloheptanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.6]undecane-2,4-dithione","","- C9 H14 N2 S2 -","- C9 H14 N2 S2 -","- C36 H56 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.048","0.0337","","","0.0842","0.0914","","","","","","1.002","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015230","8.484","0.002","11.5018","0.0018","23.992","0.01","90","","90","","90","","2341.2","1.2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclooctanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.7]dodecane-2,4-dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.1007","0.0571","","","0.1463","0.1743","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015231","6.202","0.001","9.192","0.002","19.294","0.004","90","","90","","90","","1099.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(glycine) lithium chromate monohydrate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H12 Cr Li2 N2 O9 -","- C4 H12 Cr Li2 N2 O9 -","- C16 H48 Cr4 Li8 N8 O36 -","4","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0232","0.022","","","0.0602","0.061","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015232","5.1924","0.001","7.7339","0.0015","12.492","0.003","90","","94.28","0.03","90","","500.25","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(glycine) lithium molybdate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H10 Li2 Mo N2 O8 -","- C4 H10 Li2 Mo N2 O8 -","- C8 H20 Li4 Mo2 N4 O16 -","2","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0159","0.0157","","","0.0402","0.0404","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015233","9.595","0.002","8.267","0.002","26.35","0.005","90","","90","","90","","2090.1","0.8","295","2","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","[3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene","","- C20 H28 O4 S2 -","- C20 H28 O4 S2 -","- C80 H112 O16 S8 -","4","0.5","FA1181","Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene","Acta Crystallographica Section C","2006","62","4","o155","o156","10.1107/S0108270106004999","","","0.71073","MoKα","","0.1014","0.0355","","","0.0897","0.1045","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015234","13.0444","0.0005","13.0444","0.0005","17.8599","0.0009","90","","90","","90","","3039","0.2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","catena-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","","- C18 H44 Cd Fe N11 O4 -","- C18 H44 Cd Fe N11 O4 -","- C72 H176 Cd4 Fe4 N44 O16 -","4","0.5","FA3001","Miroslava Maĺarová; Juraj Černák; Werner Massa","One-dimensional structure of <i>catena</i>-poly[tetraethylammonium [tetracyanoiron(III)-μ-cyano-[bis(ethylenediamine)cadmium(II)]-μ-cyano] tetrahydrate]","Acta Crystallographica Section C","2006","62","4","m119","m121","10.1107/S0108270106003453","","","0.71073","MoKα","","0.0239","0.023","","","0.0626","0.0631","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015235","10.8858","0.0003","9.953","0.0002","13.3275","0.0003","90","","95.0178","0.0015","90","","1438.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^O:O':O''] trihydrate]","","- C6 H17 N O13 U -","- C6 H16 N O13 U -","- C24 H64 N4 O52 U4 -","4","1","FA3002","Grigoriev, Mikhail S.; Den Auwer, Christophe; Meyer, Daniel; Moisy, Philippe","Poly[[[diaquadioxouranium(VI)]-μ~3~-nitriliotriacetato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] trihydrate]","Acta Crystallographica Section C","2006","62","4","m163","m165","10.1107/S0108270106006949","","","0.71073","MoKα","","0.0463","0.029","","","0.0563","0.0613","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015236","3.7747","0.0002","10.8587","0.0005","11.9519","0.0006","99.626","0.003","97.726","0.003","95.515","0.003","475.07","0.04","215","2","215","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridinium 2,5-dicarboxybenzene-1,4-dicarboxylate 1.8-hydrate","","- C20 H17.6 N2 O9.8 -","- C20 H17.596 N2 O9.798 -","- C20 H17.596 N2 O9.798 -","1","0.5","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.302","neutron","","0.046","0.0362","","","0.0763","0.0805","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015237","12.009","0.001","15.484","0.001","15.221","0.001","90","","112.273","0.003","90","","2619.1","0.3","20","2","20","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridinium bis(2,4,5-tricarboxylbenzoate)","","- C30 H20 N2 O16 -","- C30 H20 N2 O16 -","- C120 H80 N8 O64 -","4","1","FG1884","Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D.","Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","4","o157","o161","10.1107/S0108270106004008","","neutron","1.3108","neutron","","0.0221","0.0217","","","0.0478","0.048","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015238","9.4503","0.0006","16.8493","0.001","16.8539","0.001","90","","95.815","0.002","90","","2669.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-oxalato-κ^2^O^1^,O^2^:κ^2^O^1'^,O^2'^-bis[(η^6^-p- cymene)(triphenylphosphine-κP)ruthenium(II)] bis(tetrafluoroborate)","","- C58 H58 B2 F8 O4 P2 Ru2 -","- C58 H58 B2 F8 O4 P2 Ru2 -","- C116 H116 B4 F16 O8 P4 Ru4 -","2","0.5","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.065","0.0356","","","0.0684","0.0818","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015239","7.8754","0.0005","9.0005","0.0006","13.6905","0.0009","98.647","0.002","106.062","0.002","90.165","0.002","920.92","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-p-cymene)(oxalato-κ^2^O,O')(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)","","- C19 H19 N O8 Ru -","- C19 H19 N O8 Ru -","- C38 H38 N2 O16 Ru2 -","2","1","FG1886","Dale, Sophie H.; Elsegood, Mark R. J.","Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","2006","62","4","m166","m170","10.1107/S0108270106007487","","","0.71073","MoKα","","0.0333","0.0262","","","0.0576","0.061","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015240","7.032","0.001","10.419","0.002","17.017","0.003","90","","90","","90","","1246.8","0.4","288","1","288","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,2'-isopropylidenediphenol","2,2'-Isopropylidenediphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1119","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","2,2'-Isopropylidenediphenol","Acta Crystallographica Section C","2006","62","4","o162","o164","10.1107/S0108270106004070","","","1.5418","CuKα","","0.0342","0.0252","","","0.067","0.0714","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015241","8.022","0.003","13.193","0.004","14.893","0.004","69.06","0.03","81.29","0.02","80.6","0.03","1444.9","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","4-[N-(2-Chloro-6-methylphenyl)ureido]pyridinium chloride","","- C13 H13 Cl2 N3 O -","- C13 H13 Cl2 N3 O -","- C52 H52 Cl8 N12 O4 -","4","2","GD1429","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","<i>N</i>-Phenyl-<i>N</i>'-pyridylureas: stereochemical basis for anticonvulsant activity","Acta Crystallographica Section C","2006","62","4","o190","o192","10.1107/S0108270106005543","","","1.54178","CuKα","","0.0601","0.0428","","","0.1229","0.1344","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015242","7.788","0.002","16.596","0.003","27.986","0.003","90","","90","","90","","3617.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-phthaloyl-β-alaninate N-phthaloyl-β-alanine","","- C43 H40 N4 O10 -","- C43 H40 N4 O10 -","- C172 H160 N16 O40 -","4","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.0715","0.0514","","","0.0927","0.1001","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015243","11.527","0.002","7.669","0.0013","19.5","0.003","90","","94.832","0.014","90","","1717.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-phthaloyl-β-alaninate 5.67-hydrate","","- C34 H46.34 N3 O13.67 -","- C34 H46.34 N3 O13.67 -","- C68 H92.68 N6 O27.34 -","2","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.1504","0.0776","","","0.0935","0.1143","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015244","32.6249","0.0008","7.0657","0.0002","23.516","0.0008","90","","100.292","0.0009","90","","5333.6","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrakis(4-methoxycarbonylphenyl)porphyrin","Tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoate","","- C63.42 H47.52 N5.9 O11.81 -","- C63.424 H47.52 N5.904 O11.808 -","- C253.696 H190.08 N23.616 O47.232 -","4","0.5","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.1084","0.0569","","","0.1329","0.1581","","","","","","1.016","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015245","17.4965","0.0004","18.2617","0.0002","19.0558","0.0004","90","","90","","90","","6088.6","0.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20- tetrabenzoato)zinc(II)","","- C57 H41 N5 O8 Zn -","- C57 H41 N5 O8 Zn -","- C228 H164 N20 O32 Zn4 -","4","1","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.0946","0.0525","","","0.1185","0.1307","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015246","8.8634","0.0004","12.639","0.0006","12.8768","0.0006","89.182","0.001","89.913","0.001","86.941","0.001","1440.31","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","","- C8 H28 N4 O18 P6 Zn5 -","- C8 H28 N4 O18 P6 Zn5 -","- C16 H56 N8 O36 P12 Zn10 -","2","1","GD3006","Harrison, William T. A.","Poly[piperazinium(2+) [hexa-μ-hydrogen phosphito-μ-piperazine-pentazinc(II)]]","Acta Crystallographica Section C","2006","62","4","m156","m158","10.1107/S0108270106007657","","","0.71073","MoKα","","0.0812","0.0404","","","0.0687","0.0766","","","","","","0.902","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015247","15.2414","0.0002","22.643","0.0009","8.3783","0.0005","90","","90","","90","","2891.4","0.2","120","2","120","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride","","- C13 H10 Cl2 N4 O4 -","- C13 H10 Cl2 N4 O4 -","- C104 H80 Cl16 N32 O32 -","8","","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0331","0.0299","","","0.0718","0.0741","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015248","7.4534","0.0002","22.1762","0.0006","8.1006","0.0002","90","","96.489","0.0016","90","","1330.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-3,5-dinitrobenzoyl-N'-isonicotinoylhydrazine","","- C13 H9 N5 O6 -","- C13 H9 N5 O6 -","- C52 H36 N20 O24 -","4","1","GG3003","Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded framework structures in 4-[(4-chloro-3-nitrobenzoyl)hydrazinocarbonyl]pyridinium chloride and <i>N</i>-3,5-dinitrobenzoyl-<i>N</i>'-isonicotinoylhydrazine","Acta Crystallographica Section C","2006","62","4","o222","o226","10.1107/S0108270106006512","","","0.71073","MoKα","","0.0411","0.0369","","","0.0955","0.0987","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015249","7.555","0.002","11.531","0.003","26.492","0.008","90","","90","","90","","2307.9","1.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine tetrahydrate","2,3-dimethoxystrychnidin-10-one‒water (1/4)","","- C23 H34 N2 O8 -","- C23 H34 N2 O8 -","- C92 H136 N8 O32 -","4","1","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0592","0.0429","","","0.0792","0.0838","","","","","","0.892","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015250","23.351","0.005","12.2","0.003","16.972","0.004","90","","96.202","0.004","90","","4806.7","1.9","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 5.25-hydrate","2,3-dimethoxystrychnidin-10-one‒water (1/5.25)","","- C23 H36.5 N2 O9.25 -","- C23 H36.5 N2 O9.25 -","- C184 H292 N16 O74 -","8","2","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0753","0.0655","","","0.1659","0.1729","","","","","","1.009","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015251","8.0818","0.0016","11.129","0.002","11.626","0.002","67.56","0.03","74.48","0.03","69.55","0.03","894.6","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","diaqua(pyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)indium(II) trihydrate, [In(C~6~H~4~NO~2~)(C~7~H~3~NO~4~)(H~2~O)~2~].3H~2~O","","- C13 H17 In N2 O11 -","- C13 H17 In N2 O11 -","- C26 H34 In2 N4 O22 -","2","1","GZ3002","Chun-Bo Liu; Guang-Bo Che; Chuan-Bi Li; Yun-Cheng Cui","An indium(III)‒water chain based on an unusual acyclic water pentamer","Acta Crystallographica Section C","2006","62","4","m153","m155","10.1107/S0108270106007189","","","0.71073","MoKα","","0.0347","0.0276","","","0.0549","0.0566","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015252","12.875","0.003","6.153","0.002","18.268","0.004","90","","106.031","0.016","90","","1390.9","0.6","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamolide-3β-ol hemihydrate","3β-Hydroxy-7-drimen-12,11-olide hemihydrate","","- C30 H46 O7 -","- C15 H23 O3.5 -","- C60 H92 O14 -","4","2","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.083","0.049","","","0.1","0.112","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015253","6.802","0.003","7.918","0.004","14.302","0.008","90","","101.22","0.02","90","","755.6","0.7","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","cinnamolide-3β-ol-acetate","3β-Acetoxy-7-drimen-12,11-olide","","- C17 H24 O4 -","- C17 H24 O4 -","- C34 H48 O8 -","2","1","GZ3003","Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>","Acta Crystallographica Section C","2006","62","4","o219","o221","10.1107/S0108270106007177","","","0.71073","MoKα","","0.109","0.051","","","0.09","0.108","","","","","","0.982","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015254","13.874","0.002","7.531","0.001","13.615","0.002","90","","122.94","0.02","90","","1193.9","0.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","","- C6 H12 Ca Co O12 -","- C6 H12 Ca Co O12 -","- C24 H48 Ca4 Co4 O48 -","4","0.5","HJ1082","Djeghri Assia; Balegroune, Fadila; Guehria Laidoudi, Achoura; Toupet, Loic","Poly[tetraaquadi-μ~3~-malonato-cobalt(II)calcium(II)]","Acta Crystallographica Section C","2006","62","4","m126","m128","10.1107/S0108270106003866","","","0.71073","MoKα","","0.0244","0.0195","","","0.0486","0.05","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015255","16.3722","0.0011","10.4506","0.0005","11.3239","0.0007","90","","99.18","0.005","90","","1912.7","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(3-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.068","0.053","","","0.1506","0.1597","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015256","16.9333","0.0009","10.7124","0.0006","10.5476","0.0006","90","","98.966","0.004","90","","1889.92","0.18","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(4-methoxyphenyldiazenyl)cyclohexa-2,4-dienone","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0823","0.0495","","","0.1198","0.1347","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015257","16.8445","0.0015","10.7259","0.0005","11.1126","0.0009","90","","106.037","0.007","90","","1929.6","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4-(2,6-dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan- 2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone","","- C18 H19 Cl2 N3 O5 -","- C18 H19 Cl2 N3 O5 -","- C72 H76 Cl8 N12 O20 -","4","1","HJ1088","Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues","Acta Crystallographica Section C","2006","62","4","o173","o177","10.1107/S0108270106005026","","","0.71073","MoKα","","0.0692","0.046","","","0.1197","0.1322","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015258","11.5299","0.0008","8.0975","0.0004","10.8937","0.0008","90","","101.111","0.003","90","","998.01","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Di-tert-butyl ketone hydrazone","","- C9 H20 N2 -","- C9 H20 N2 -","- C36 H80 N8 -","4","1","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0427","0.0389","","","0.1021","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015259","29.1768","0.0016","11.6848","0.0007","14.3768","0.0006","90","","103.243","0.003","90","","4771.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di-tert-butyl ketone triphenylphosphoranylidenehydrazone","","- C27 H33 N2 P -","- C27 H33 N2 P -","- C216 H264 N16 P8 -","8","2","HJ3003","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone","Acta Crystallographica Section C","2006","62","4","o234","o236","10.1107/S0108270106008687","","","0.71073","MoKα","","0.0662","0.0442","","","0.1075","0.1181","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015260","5.7355","0.0006","9.8374","0.0013","10.9428","0.0013","90","","97.856","0.009","90","","611.62","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Amino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-fluoro- 7H-pyrrolo[2,3-d]pyrimidine","","- C11 H12 F2 N4 O3 -","- C11 H12 F2 N4 O3 -","- C22 H24 F4 N8 O6 -","2","1","JZ3003","Seela, Frank; Chittepu, Padmaja; Eickmeier, Henning","4-Amino-7-(2-deoxy-2-fluoro-β-<small>D</small>-arabinofuranosyl)-5-fluoro-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine: a bis-fluorinated analogue of 2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","4","o231","o233","10.1107/S0108270106007633","","","0.71073","MoKα","","0.0458","0.0385","","","0.0969","0.1015","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015261","10.563","0.003","23.839","0.006","7.025","0.002","90","","93.46","0.02","90","","1765.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,2-Diethynylcyclohexane-1,2-diol","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","2","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0682","0.0446","","","0.0896","0.103","","","","","","1.083","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015262","6.6112","0.0018","7.2474","0.0019","12.577","0.003","93.384","0.016","102.41","0.016","102.309","0.016","571.5","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-diprop-2-ynylcyclohexane-1,4-diol hydrate","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","LN3003","Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate","Acta Crystallographica Section C","2006","62","4","o178","o181","10.1107/S0108270106005063","","","0.71073","MoKα","","0.0373","0.034","","","0.0819","0.0844","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015263","13.377","0.002","6.0824","0.0008","23.834","0.003","90","","94.235","0.002","90","","1933.9","0.5","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-(5S,8S,9R,10S,13R,14R)-15-Acetoxy-15,16-dideoxy-16,17-epoxyspongian-16-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","LN3004","Blake, Alexander J.; González, Miguel A.; Gil-Gimeno, Maria J.","(‒)-(5<i>S</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>)-15,16-Dideoxy-16,17-epoxy-16-oxospongian-15-yl acetate","Acta Crystallographica Section C","2006","62","4","o208","o210","10.1107/S0108270106006366","","","0.71073","MoKα","","0.0516","0.0487","","","0.13","0.133","","","","","","0.92","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015264","8.36","0.01","7.292","0.008","12.95","0.005","90","","90","","90","","789.4","1.3","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Dichloro(propane-1,3-diamine-κ^2^N,N')platinum(II)","","- C3 H10 Cl2 N2 Pt -","- C3 H10 Cl2 N2 Pt -","- C12 H40 Cl8 N8 Pt4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.016","","","","0.042","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015265","8.386","0.007","7.167","0.005","12.88","0.01","90","","90","","90","","774.1","1","296","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","dichloro(propane-1,3-diamine-κ^2^N,N')palladium(II)","","- C3 H10 Cl2 N2 Pd -","- C3 H10 Cl2 N2 Pd -","- C12 H40 Cl8 N8 Pd4 -","4","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.017","","","","0.043","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015266","8.86","0.01","8.018","0.006","12.93","0.01","90","","92.09","0.04","90","","917.9","1.4","123","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,9-diazadodecane-1,12-diamine-κ^2^N^1^,N^4^;κ^2^N^9^,N^12^- bis[dichlorodiplatinum(II)]","","- C10 H26 Cl4 N4 Pt2 -","- C10 H26 Cl4 N4 Pt2 -","- C20 H52 Cl8 N8 Pt4 -","2","0.5","OB1247","Odoko, Mamiko; Okabe, Nobuo","Dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(II), dichloro(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) and μ-4,9-diazadodecane-1,12-diamine-κ^2^<i>N</i>^1^,<i>N</i>^4^:κ^2^<i>N</i>^9^,<i>N</i>^12^-bis[dichloroplatinum(II)]","Acta Crystallographica Section C","2006","62","4","m136","m139","10.1107/S010827010600610X","","","0.7107","MoKα","","","0.029","","","","0.076","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015267","8.895","0.001","9.828","0.001","16.331","0.002","79.66","0.01","85.9","0.01","67.38","0.01","1296.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","","- C20 H16 Cu3 I N4 O S3 W -","- C20 H16 Cu3 I N4 O S3 W -","- C40 H32 Cu6 I2 N8 O2 S6 W2 -","2","1","OB1248","Li, Wen-Ge; Zhang, You-Cai; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen","Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)","Acta Crystallographica Section C","2006","62","4","m159","m160","10.1107/S0108270106007438","","","0.71073","MoKα","","0.0413","0.0332","","","0.0766","0.0789","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015268","7.3655","0.0002","9.6851","0.0002","14.472","0.0001","93.375","0.001","99.476","0.001","102.288","0.001","990.22","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","anti-2-Hydroxy-2-methyl-1-tetralone oxime","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","2","SF1027","Vratislav Langer; Dalma Gyepesová; Pavel Mach; Eva Scholtzová; Marta Sališová; Andrej Boháč; Boris Gášpár","<i>anti</i>-2-Hydroxy-2-methyl-1-tetralone oxime: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","4","o199","o202","10.1107/S0108270106005178","","","0.71073","MoKα","","0.1064","0.0512","","","0.0993","0.1211","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015269","7.9116","0.0007","10.487","0.001","18.2493","0.0017","86.088","0.002","79.784","0.002","70.605","0.002","1405.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","strontium ibuprofenate hydrate","poly[diaquabis[μ-2-(4-isobutylphenyl)propionato]strontium(II)]","","- C26 H38 O6 Sr -","- C26 H38 O6 Sr -","- C52 H76 O12 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.1116","0.0581","","","0.1253","0.145","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015270","14.3345","0.0009","7.3458","0.0005","11.5075","0.0007","90","","106.71","0.001","90","","1160.55","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium malonate sesquihydrate","Poly[μ-aqua-diaquadi-μ-malonato-distrontium(II)]","","- C3 H5 O5.5 Sr -","- C3 H5 O5.5 Sr -","- C24 H40 O44 Sr8 -","8","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0169","0.0158","","","0.0406","0.0413","","","","","","1.076","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2015271","6.4358","0.0005","16.104","0.0013","8.3646","0.0007","90","","107.696","0.001","90","","825.9","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Strontium diascorbate dihydrate","catena-Poly[[diaqua(ascorbato)strontium(II)]-μ-ascorbato]","","- C12 H18 O14 Sr -","- C12 H18 O14 Sr -","- C24 H36 O28 Sr2 -","2","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0276","0.0253","","","0.0565","0.0573","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015272","5.0993","0.0004","22.808","0.002","6.9811","0.0006","90","","109.755","0.002","90","","764.15","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Strontium 2-oxidobenzoate hydrate","Poly[aqua-μ-2-oxidobenzoato-strontium(II)]","","- C7 H6 O4 Sr -","- C7 H6 O4 Sr -","- C28 H24 O16 Sr4 -","4","1","SK1898","Kenny Stahl; Jens E.T. Andersen; Stephan Christgau","Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120K","Acta Crystallographica Section C","2006","62","4","m144","m149","10.1107/S0108270106005464","","","0.71073","MoKα","","0.0475","0.0376","","","0.0878","0.092","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015273","8.0954","0.0002","11.7686","0.0006","11.0026","0.0006","90","","90","","90","","1048.23","0.08","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,2'-bipyridinium thiocyanate","","- C11 H9 N3 S -","- C11 H9 N3 S -","- C44 H36 N12 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0348","0.0307","","","0.0753","0.0774","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015274","7.4139","0.0005","9.3768","0.0006","12.3694","0.0005","71.681","0.003","75.722","0.003","77.391","0.003","781.79","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-bipyridinium picrate","","- C16 H11 N5 O7 -","- C16 H11 N5 O7 -","- C32 H22 N10 O14 -","2","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.1044","0.0604","","","0.1063","0.1222","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015275","12.8274","0.0004","4.4774","0.0002","18.2844","0.0005","90","","100.568","0.002","90","","1032.32","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-bipyridinium hydrogensulfate","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","1","SK1900","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher","Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate","Acta Crystallographica Section C","2006","62","4","o165","o169","10.1107/S0108270106005002","","","0.71073","MoKα","","0.0524","0.0436","","","0.1186","0.1219","","","","","","1.262","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015276","11.8324","0.0008","7.3549","0.0005","16.6078","0.0012","90","","102.07","0.001","90","","1413.36","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","","- C14 H20 Cu O5 -","- C14 H20 Cu O5 -","- C56 H80 Cu4 O20 -","4","1","SK3003","Xu, Denise J.; Pan, Long; Emge, Thomas J.; Huang, Xiaoying; Li, Jing","Poly[[aquacopper(II)]-μ-adamantane-1,3-diacetato]","Acta Crystallographica Section C","2006","62","4","m150","m152","10.1107/S0108270106006846","","","0.71073","MoKα","","0.023","0.0214","","","0.0578","0.0588","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015277","7.4435","0.0003","7.8829","0.0005","16.2657","0.001","99.564","0.002","96.806","0.003","90.842","0.003","933.94","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-chloronicotinoyl)-N-(3-nitrophenyl)hydrazine monohydrate","","- C18 H13 Cl2 N5 O5 -","- C18 H13 Cl2 N5 O5 -","- C36 H26 Cl4 N10 O10 -","2","1","SK3004","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis(2-chloronicotinoyl)-<i>N</i>-(3-nitrophenyl)hydrazine monohydrate: complex sheets built from O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","4","o170","o172","10.1107/S0108270106004653","","","0.71073","MoKα","","0.0829","0.05","","","0.1069","0.12","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015278","16.0851","0.0005","7.9458","0.0003","8.0003","0.0003","90","","117.309","0.002","90","","908.55","0.06","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","7-Amino-2,5-dimethylpyrazolo[1,5-a]pyrimidine hemihydrate","","- C8 H11 N4 O0.5 -","- C8 H11 N4 O0.5 -","- C32 H44 N16 O2 -","4","1","SK3006","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine hemihydrate redetermined at 120K: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2006","62","4","o186","o189","10.1107/S0108270106005373","","","0.71073","MoKα","","0.0372","0.0335","","","0.0873","0.0897","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015279","11.667","0.0003","13.7746","0.0004","11.8897","0.0004","90","","105.433","0.0019","90","","1841.88","0.1","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2,7-dimethyl- 5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C19 H19 Cl2 N O3 -","- C19 H19 Cl2 N O3 -","- C76 H76 Cl8 N4 O12 -","4","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0706","0.0487","","","0.1229","0.1391","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015280","9.4543","0.0005","9.7947","0.0006","13.446","0.0009","76.436","0.003","89.268","0.004","69.471","0.003","1130.23","0.12","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(RR,SS)/(RS,SR)-methyl 4-(2,4-chlorophenyl)-2-methyl- 7-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate monohydrate","","- C24 H23 Cl2 N O4 -","- C24 H22.758 Cl2 N O4 -","- C48 H45.516 Cl4 N2 O8 -","2","1","SK3008","Linden, Anthony; Gündüz, Miyase G.; Şimşek, Rahime; Şafak, Cihat","Cocrystals of diastereoisomers of 1,4-dihydropyridine derivatives","Acta Crystallographica Section C","2006","62","4","o227","o230","10.1107/S0108270106007530","","","0.71073","MoKα","","0.0754","0.0533","","","0.1358","0.1498","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015281","8.9352","0.0009","6.105","0.0006","14.678","0.002","90","","96.37","0.01","90","","795.73","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Dimethylisoguanine","6-amino-1,3-dimethyl-1H-purin-2(3H)-one","","- C7 H9 N5 O -","- C7 H9 N5 O -","- C28 H36 N20 O4 -","4","1","SQ1243","Kanda Panthong; Mary J. Garson; Paul V. Bernhardt","1,3-Dimethylisoguanine","Acta Crystallographica Section C","2006","62","4","o193","o195","10.1107/S0108270106005336","","","0.71073","MoKα","","0.1217","0.0542","","","0.136","0.1662","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015282","10.7601","0.0002","11.9724","0.0002","8.9122","0.0001","90","","109.358","0.0011","90","","1083.2","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","","- C8 H15 N2 O5 P -","- C8 H15 N2 O5 P -","- C32 H60 N8 O20 P4 -","4","1","SQ3006","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","(3-Hydroxy-2-pyridylmethyl)dimethylammonium dihydrogenphosphate","Acta Crystallographica Section C","2006","62","4","o216","o218","10.1107/S0108270106005853","","","0.71073","MoKα","","0.0303","0.0271","","","0.0681","0.0702","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015283","7.369","0.0016","8.4128","0.0018","10.716","0.002","76.124","0.004","88.754","0.004","70.758","0.004","607.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","- C20 H24 N8 O4 S2 Zn2 -","1","0.5","AV1282","Emmanuel Ngwang Nfor; Lui Wei; Jing-Lin Zuo; Xiao-Zeng You; Offiong Efanga Offiong","Di-μ-acetato-bis[(2-acetylpyridine thiosemicarbazonato)zinc(II)]","Acta Crystallographica Section C","2006","62","5","m211","m213","10.1107/S0108270106009152","","","0.71073","MoKα","","0.069","0.0516","","","0.0862","0.091","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015284","40.703","0.006","5.097","0.0008","12.2793","0.0018","90","","103.498","0.003","90","","2477.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Diaquabis[(E)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^O,O']cadmium(II)","","- C28 H24 Cd N2 O8 -","- C28 H24 Cd N2 O8 -","- C112 H96 Cd4 N8 O32 -","4","0.5","AV3003","Yao, Shu-Qin; Zhu, Miao-Li; Lu, Li-Ping; Gao, Xiao-Li","<i>cis</i>-Diaquabis[(<i>E</i>)-4-(2-hydroxybenzylideneamino)benzoato-κ^2^<i>O</i>,<i>O</i>']cadmium(II): two-dimensional layers built from strong O—H···O hydrogen bonding in the coordination sphere","Acta Crystallographica Section C","2006","62","5","m183","m185","10.1107/S0108270106009723","","","0.71073","MoKα","","0.0721","0.0561","","","0.1195","0.1374","","","","","","1.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015285","9.2591","0.0008","18.5282","0.0013","16.7729","0.0017","90","","104.297","0.007","90","","2788.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","syn-2^2^,4^2^-dihydroxy-1^2^,3^2^-bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H24 O4 S4 -","- C30 H24 O4 S4 -","- C120 H96 O16 S16 -","4","1","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0762","0.0479","","","0.1125","0.1241","","","","","","0.995","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015286","8.876","0.0003","17.31","0.0005","26.0798","0.001","90","","90","","90","","4007","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene acetone disolvate","","- C36 H32 N4 O14 S4 -","- C36 H32 N4 O14 S4 -","- C144 H128 N16 O56 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.0387","0.0339","","","0.0815","0.084","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015287","17.2475","0.0017","20.415","0.0019","9.102","0.001","90","","90","","90","","3204.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","syn-2^2^,4^2^-dihydroxy-1^5^,2^5^,3^5^,4^5^-tetranitro-1^2^,3^2^- bis(prop-2-enoxy)thiacalix[4]arene","","- C30 H20 N4 O12 S4 -","- C30 H20 N4 O12 S4 -","- C120 H80 N16 O48 S16 -","4","0.5","AV3005","Kasyan, Oleg; Thondorf, Iris; Bolte, Michael; Kalchenko, Vitaly; Böhmer, Volker","Unusual conformations of 1,3-dialkoxythiacalix[4]arenes in the solid state","Acta Crystallographica Section C","2006","62","5","o289","o294","10.1107/S0108270106011243","","","0.71073","MoKα","","0.1145","0.0926","","","0.2373","0.2565","","","","","","1.104","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015288","4.1561","0.0006","19.069","0.001","6.8369","0.0005","90","","90","","90","","541.84","0.09","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Pentaerbium trinickel trialuminum tetragermanide","pentaerbium trinickel trialuminium tetragermanium","","- Al3 Er5 Ge4 Ni3 -","- Al3 Er5 Ge4 Ni3 -","- Al6 Er10 Ge8 Ni6 -","2","0.25","BC1097","Demchenko, Pavlo; Kończyk, Joanna; Demchenko, Grigorii; Gladyshevskii, Roman; Pavlyuk, Volodymyr","Er~5~Ni~3~Al~3~Ge~4~: a quaternary variant of the NbCoB type","Acta Crystallographica Section C","2006","62","5","i29","i31","10.1107/S0108270106009255","","","1.54178","CuKα","","0.0492","0.0431","","","0.1079","0.1106","","","","","","1.164","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015289","4.9199","0.0018","9.959","0.004","10.859","0.004","90","","97.513","0.005","90","","527.5","0.3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycinium oxalate (2:1)","bis(glycinium) oxalate","","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","- C12 H24 N4 O16 -","2","0.5","BM1626","R. Chitra; Vijay Thiruvenkatam; V. D. Alur; R. R. Choudhury; E. Ramadasen; M. V. Hosur; T. N. Guru Row","Bis(glycinium) oxalate: evidence of strong hydrogen bonding","Acta Crystallographica Section C","2006","62","5","o274","o276","10.1107/S010827010600970X","","","0.71073","MoKα","","0.0388","0.0339","","","0.0868","0.0896","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015290","13.0394","0.0013","44.781","0.003","22.8023","0.0017","90","","100.051","0.008","90","","13110.3","1.9","299","2","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(pentafluorobenzenethiolato-κS)(triphenylphosphine-κP)osmium(IV)","","- C42 H15 F20 Os P S4 -","- C42 H15 F20 Os P S4 -","- C504 H180 F240 Os12 P12 S48 -","12","3","BM1627","Mendoza, María del Consuelo; Bernès, Sylvain; Arroyo, Maribel","Tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)osmium(IV): a <i>Z</i>' = 3 structure with a supramolecular double-stranded backbone","Acta Crystallographica Section C","2006","62","5","m201","m204","10.1107/S0108270106011413","","","0.71073","MoKα","","0.102","0.0552","","","0.1169","0.1435","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015291","5.7748","0.0008","11.485","0.002","13.086","0.002","113.47","0.01","100.39","0.01","97.29","0.01","763.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chloroaniline)-1,2-diphenylethanone","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C40 H32 Cl2 N2 O2 -","2","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0446","0.0372","","","0.0977","0.1007","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015292","5.823","0.0008","10.069","0.001","27.316","0.003","90","","91.75","0.01","90","","1600.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-methoxyanilino)-1,2-diphenylethanone","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","DN3012","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar","2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone","Acta Crystallographica Section C","2006","62","5","o304","o306","10.1107/S0108270106012881","","","0.71073","MoKα","","0.0544","0.043","","","0.11","0.1194","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015293","6.5812","0.0011","10.5084","0.0013","19.216","0.002","90","","90","","90","","1328.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxy-7-propynyl-7-deazaadenosine","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","FA1183","Seela, Frank; Shaikh, Khalil I.; Budow, Simone; Eickmeier, Henning","2'-Deoxy-7-propynyl-7-deazaadenosine: a DNA duplex-stabilizing nucleoside","Acta Crystallographica Section C","2006","62","5","o246","o248","10.1107/S0108270106008870","","","0.71073","MoKα","","0.0646","0.0522","","","0.1348","0.1457","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015294","15.0522","0.001","29.721","0.002","15.3753","0.001","90","","90","","90","","6878.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","racemic cis-(2,2'-bipyridyl-κ^2^N,N')oxo(pentane-2,4-dionato- κ^2^O,O')(thiocyanato-κN)vanadium(IV)","","- C16 H15 N3 O3 S V -","- C16 H15 N3 O3 S V -","- C256 H240 N48 O48 S16 V16 -","16","2","FA3005","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in racemic <i>cis</i>-(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')oxo(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)vanadium(IV)","Acta Crystallographica Section C","2006","62","5","m177","m179","10.1107/S0108270106008158","","","0.71073","MoKα","","0.0806","0.0526","","","0.1237","0.135","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015295","9.422","0.003","5.1788","0.0017","9.388","0.003","90","","94.92","0.03","90","","456.4","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","distrontium dicopper(II) tellurium(VI) hexaoxide dibromide","","- Br2 Cu2 O6 Sr2 Te -","- Br2 Cu2 O6 Sr2 Te -","- Br4 Cu4 O12 Sr4 Te2 -","2","0.5","FA3009","Takagi, Rie; Johnsson, Mats","Sr~2~Cu~2~TeO~6~Br~2~: honeycomb layers of copper(II) ions","Acta Crystallographica Section C","2006","62","5","i38","i40","10.1107/S0108270106013047","","","0.71073","MoKα","","0.0974","0.0497","","","0.1109","0.1263","","","","","","0.883","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015296","9.0592","0.0004","10.3156","0.0005","25.0534","0.0012","90","","90","","90","","2341.27","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","10,11-dihydrocarbamazepine","10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","1","FG3005","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.","An orthorhombic polymorph of 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2006","62","5","o240","o242","10.1107/S0108270106008651","","","0.71073","MoKα","","0.0496","0.0416","","","0.1041","0.1084","","","","","","1.085","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015297","12.3391","0.0002","7.178","0.0001","22.8065","0.0004","90","","90","","90","","2019.97","0.06","160","1","160","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epicandicandiol ethanol solvate","ent-7α,18-hydroxykaur-16-ene ethanol solvate","","- C22 H38 O3 -","- C22 H38 O3 -","- C88 H152 O12 -","4","1","FG3006","Linden, Anthony; Şahın, F. Pınar; Ezer, Nurten; Çalış, İhsan","<i>ent</i>-7α,18-Hydroxykaur-16-ene ethanol solvate","Acta Crystallographica Section C","2006","62","5","o253","o255","10.1107/S0108270106008638","","","0.71073","MoKα","","0.0577","0.0418","","","0.103","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015298","20.777","0.003","8.4689","0.0011","33.55","0.005","90","","90","","90","","5903.4","1.4","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo- iodoplumbate(II)-di-μ-iodo]]","","- C36 H56 I10 N4 Pb3 -","- C36 H56 I10 N4 Pb3 -","- C144 H224 I40 N16 Pb12 -","4","0.5","FG3008","Billing, David G.; Lemmerer, Andreas","<i>catena</i>-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo-iodoplumbate(II)-di-μ-iodo]]","Acta Crystallographica Section C","2006","62","5","m174","m176","10.1107/S0108270106009127","","","0.71073","MoKα","","","0.0494","","","","0.0938","","","","","","1.138","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015299","3.7965","0.0011","15.078","0.005","10.972","0.004","90","","97.082","0.006","90","","623.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-<i>trans</i>-1,2-bis(4-pyridyl)ethylene-di-μ~3~-chloro-dicopper(I)]","","- C12 H10 Cl2 Cu2 N2 -","- C12 H10 Cl2 Cu2 N2 -","- C24 H20 Cl4 Cu4 N4 -","2","0.5","FG3011","Li, Zhi-Gang; Xu, Jing-Wei; Jia, Heng-Qing; Hu, Ning-Hai","Poly[di-μ~3~-chloro-μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene-dicopper(I)]: a two-dimensional organic‒inorganic hybrid constructed from linear CuCl clusters and bridging ligands","Acta Crystallographica Section C","2006","62","5","m205","m207","10.1107/S0108270106011814","","","0.71073","MoKα","","0.0871","0.0546","","","0.1075","0.1198","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015300","8.5826","0.0012","10.5117","0.0014","13.1078","0.0017","103.902","0.002","107.988","0.002","91.639","0.002","1085","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~2~-sulfito-κ^4^O,O':κ^4^O',O''-[2,4,6-tris(2-pyridyl)- 1,3,5-triazine-κ^3^N^2^,N^1^,N^6^]cadmium(II) octahydrate","","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","- C36 H40 Cd2 N12 O14 S2 -","1","0.5","FG3013","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Di-μ~2~-sulfito-κ^8^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>''-bis[(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)cadmium(II)] octahydrate","Acta Crystallographica Section C","2006","62","5","m195","m198","10.1107/S0108270106012078","","","0.71073","MoKα","","0.0364","0.0332","","","0.0851","0.0881","","","","","","0.843","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015301","9.675","0.005","10.401","0.006","11.063","0.007","90","","110.86","0.03","90","","1040.3","1.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","18-deoxy-13β,14-dihydrolycoctam","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C46 H70 N2 O8 -","2","1","FG3014","Benn, Michael; Parvez, Masood; Edwards, Oliver Edward","18-Deoxy-13β,14-dihydrolycoctam: the lycoctamone rearrangement confirmed","Acta Crystallographica Section C","2006","62","5","o283","o285","10.1107/S0108270106011620","","","0.71073","MoKα","","0.123","0.051","","","0.099","0.124","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015302","10.0301","0.0008","14.1408","0.0011","24.9919","0.0009","85.82","0.002","86.556","0.002","80.066","0.002","3478.2","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","μ-2,2'-bipyrimidine-1κ^2^N^1^,N1'^:2κ^2^N^3^,N^3'^- bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^O,O']terbium(III)} ethyl acetate solvate","","- C60 H38 F18 N4 O14 S6 Tb2 -","- C60 H38 F18 N4 O14 S6 Tb2 -","- C120 H76 F36 N8 O28 S12 Tb4 -","2","1","GA1121","Kirschbaum, Kristin; Fratini, Albert; Swavey, Shawn","The twinned crystal structure of μ-2,2'-bipyrimidine-1κ^2^<i>N</i>^1^,<i>N</i>^1'^:2κ^2^<i>N</i>^3^,<i>N</i>^3'^-bis{tris[4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']terbium(III)} ethyl acetate solvate","Acta Crystallographica Section C","2006","62","5","m186","m187","10.1107/S0108270106008389","","","0.71073","MoKα","","0.0429","0.0415","","","0.1203","0.1214","","","","","","1.177","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015303","7.55","0.005","44.57","0.07","13.791","0.008","90","","119.88","0.03","90","","4024","7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[aqua(thiosulfato-κ^2^O,S)[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N,N',N'']zinc(II)] monohydrate","","- C36 H30 N12 O9 S4 Zn2 -","- C36 H30 N12 O9 S4 Zn2 -","- C144 H120 N48 O36 S16 Zn8 -","4","1","GA3004","M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","Aqua(thiosulfato-κ^2^<i>O</i>,<i>S</i>)[2,4,6-tri-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^]zinc(II) hemihydrate","Acta Crystallographica Section C","2006","62","5","m192","m194","10.1107/S0108270106010560","","","0.71073","MoKα","","0.1576","0.0492","","","0.0601","0.0825","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015304","17.0805","0.0018","17.0805","0.0018","9.2818","0.0015","90","","90","","90","","2707.9","0.6","298","2","298","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","trans-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole","","- C56 H48 Cd Cl2 N16 -","- C56 H48 Cd Cl2 N16 -","- C112 H96 Cd2 Cl4 N32 -","2","0.25","GD3005","Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li; Li, Li; Wang, Shu-Xia","<i>trans</i>-Dichlorotetrabenzimidazolecadmium(II) tetrabenzimidazole: a three-dimensional supramolecular structure built from C—H···π, N—H···Cl and N—H···N hydrogen bonds","Acta Crystallographica Section C","2006","62","5","m180","m182","10.1107/S0108270106008973","","","0.71073","MoKα","","0.0418","0.0364","","","0.0895","0.0924","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015305","46.263","0.002","46.263","0.002","7.203","0.0007","90","","90","","120","","13350.9","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","cis-Diaqua[(E)-2-(2-oxidobenzylideneamino-κO)benzoato-κO']copper(II)","","- C14 H13 Cu N O5 -","- C14 H13 Cu N O5 -","- C504 H468 Cu36 N36 O180 -","36","2","GD3011","Lu, Li-Ping; Yao, Shu-Qin; Zhu, Miao-Li","<i>cis</i>-Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzoato-κ<i>O</i>]copper(II): tubes built from O—H···O hydrogen-bonding, π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","5","m220","m222","10.1107/S0108270106013242","","","0.71073","MoKα","","0.1059","0.0716","","","0.1458","0.1602","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015306","9.4708","0.0002","10.2139","0.0002","10.7512","0.0002","105.804","0.001","99.141","0.001","116.32","0.001","848.5","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","1-cyclohexyl-6,6,8a-trimethyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0436","0.0389","","","0.1039","0.107","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015307","7.2348","0.0002","10.1212","0.0005","11.6287","0.0006","77.031","0.002","79.285","0.003","76.872","0.003","799.89","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-phenyl-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.0561","0.0438","","","0.1108","0.1173","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015308","7.233","0.0002","9.8165","0.0003","11.6008","0.0003","78.541","0.002","78.992","0.002","77.302","0.001","778.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","perhydro-pyrrolo-benzofuran","6,6,8a-trimethyl-1-(3-pyridyl)-3a,6,7,8a-tetrahydro- 1H-[1]benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","GD3014","Yathirajan, H. S.; Narasegowda, R. S.; Lynch, D. E.; Narasimhamurthy, T.; Rathore, R. S.","Conformations of three heterocyclic perhydropyrrolobenzofurans and polymeric assembly <i>via</i> co-operative intermolecular C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","5","o277","o280","10.1107/S010827010601119X","","","0.71073","MoKα","","0.043","0.0388","","","0.1013","0.1044","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015309","14.687","0.005","9.84","0.005","6.877","0.005","90","","93.836","0.005","90","","991.6","0.9","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium bromide","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C28 H36 Br4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71069","MoKα","","","0.0575","","","","0.2196","","","","","","1.205","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015310","14.671","0.004","9.83","0.003","6.875","0.002","90","","93.782","0.007","90","","989.3","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-4-nitroanilinium iodide","","- C7 H9 I N2 O2 -","- C7 H9 I N2 O2 -","- C28 H36 I4 N8 O8 -","4","1","GD3015","Lemmerer, Andreas; Billing, David G.","Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide","Acta Crystallographica Section C","2006","62","5","o271","o273","10.1107/S0108270106011358","","","0.71073","MoKα","","","0.0701","","","","0.1865","","","","","","0.941","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015311","8.8875","0.0003","8.991","0.0003","17.6023","0.0007","90.406","0.002","92.2227","0.0019","105.032","0.002","1357.19","0.09","173","","173","","","","","","","","","4","P -1","-P 1","2","","13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13H)-one","","- C33 H34 O2 Si -","- C33 H34 O2 Si -","- C66 H68 O4 Si2 -","2","1","GG3004","Boudebous, Amar; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, M.; Schaffner, S.","A hydrogen-bonded dimer of 13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13<i>H</i>)-one","Acta Crystallographica Section C","2006","62","5","o243","o245","10.1107/S0108270106008262","","","0.71073","MoKα","","0.0868","0.0465","","0.0968","0.0643","0.0643","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015312","7.0515","0.0007","9.0031","0.0012","11.237","0.002","90","","93.69","0.011","90","","711.91","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-Methoxy-6-oxopyrimidin-4-yl)formamide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","GG3008","Torre, José M. de la; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","<i>N</i>-(2-Methoxy-6-oxo-1,6-dihydropyrimidin-4-yl)formamide: hydrogen-bonded sheets of centrosymmetric <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(28) rings","Acta Crystallographica Section C","2006","62","5","o256","o258","10.1107/S0108270106008663","","","0.71073","MoKα","","0.1286","0.0511","","","0.11","0.1465","","","","","","1.105","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015313","13.11","0.003","13.11","0.003","38.751","0.008","90","","90","","90","","6660","3","102","","102","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dimethylammonium hydrogen diphenyldiphosphonate","","- C28 H38 N2 O10 P4 -","- C14 H19 N O5 P2 -","- C224 H304 N16 O80 P32 -","16","1","HJ1093","Courtney, Brandy H.; Juma, Booker W. O.; Watkins, Steven F.; Fronczek, Frank R.; Stanley, George G.","Symmetric hydrogen bonding in dimethylammonium hydrogen diphenyldiphosphonate","Acta Crystallographica Section C","2006","62","5","o268","o270","10.1107/S0108270106009528","","","0.71073","MoKα","","0.074","0.043","","","0.086","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015314","7.4129","0.0005","12.2875","0.0008","23.5594","0.0015","77.694","0.002","82.07","0.002","89.936","0.002","2075.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[1-(Pentafluorophenyl)ethyl]acetamide","","- C10 H8 F5 N O -","- C10 H8 F5 N O -","- C80 H64 F40 N8 O8 -","8","4","HJ3006","Guzei, Ilia A.; Gorske, Benjamin C.; Blackwell, Helen E.","<i>N</i>-[1-(Pentafluorophenyl)ethyl]acetamide","Acta Crystallographica Section C","2006","62","5","o286","o288","10.1107/S0108270106012121","","","0.71073","Mo-Kα","","0.0411","0.0308","","","0.0804","0.0892","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015315","10.741","0.002","5.567","0.001","7.497","0.001","90","","113.78","0.03","90","","410.23","0.15","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","sodium indium chromate hydrate","sodium indium(III) chromate(VI) dihydrate","","- Cr2 H4 In Na O10 -","- Cr2 H4 In Na O10 -","- Cr4 H8 In2 Na2 O20 -","2","0.25","IZ3003","Kolitsch, Uwe","NaIn(CrO~4~)~2~·2H~2~O, the first indium(III) member of the kröhnkite family","Acta Crystallographica Section C","2006","62","5","i35","i37","10.1107/S0108270106012996","","","0.71073","MoKα","","0.0292","0.0236","","","0.0571","0.0596","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015316","8.2764","0.0002","19.7124","0.0006","8.7321","0.0003","90","","115.007","0.003","90","","1291.07","0.07","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Methoxycarbonyl)phenylboronic acid","","- C8 H9 B O4 -","- C8 H9 B O4 -","- C48 H54 B6 O24 -","6","1.5","JZ3006","Lulinski, Sergiusz; Serwatowski, Janusz","2-(Methoxycarbonyl)phenylboronic acid","Acta Crystallographica Section C","2006","62","5","o301","o303","10.1107/S0108270106012297","","","0.71073","MoKα","","0.0378","0.0325","","","0.0923","0.0941","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015317","5.185","0.001","16.668","0.003","10.458","0.002","90","","101.9","0.03","90","","884.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[4-(Aminocarbonyl)butyl]guanidinium bis(hydrogensquarate)","","- C14 H19 N5 O9 -","- C14 H19 N5 O9 -","- C28 H38 N10 O18 -","2","1","KP2003","Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge","<small>L</small>-Argininamidium bis(hydrogensquarate)","Acta Crystallographica Section C","2006","62","5","o299","o300","10.1107/S0108270106012108","","","0.71073","MoKα","","0.074","0.0446","","","0.0911","0.0993","","","","","","1.008","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015318","10.338","0.002","12.012","0.002","12.065","0.002","90","","93.39","0.03","90","","1495.6","0.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","bis[3,6,9-trimethyl- 3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12H- pyrano[4,3-j][1,2]benzodioxepin-10-yl] ether","","- C30 H46 O9 -","- C30 H46 O9 -","- C60 H92 O18 -","2","1","LN1194","Yue, Zheng-Yu; Li, Shu-Hui; Gao, Po; Zhang, Jin-Hui; Yan, Peng-Fei","A dimer of α- and β-dihydroartemisinin: bis(3,6,9-trimethyl-3,12-epidioxy-3,4,5,5a,6,7,8,8a,9,10-decahydro-12<i>H</i>-pyrano[4,3-<i>j</i>][1,2]benzodioxepin-10-yl) ether","Acta Crystallographica Section C","2006","62","5","o281","o282","10.1107/S0108270106009048","","","0.71073","MoKα","","0.0675","0.0582","","","0.1493","0.1557","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015319","7.1791","0.0019","13.853","0.004","20.609","0.005","90","","94.3564","0.0009","90","","2043.7","0.9","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro(4,4'-dipentyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C20 H28 Cl2 N2 Pt -","- C20 H28 Cl2 N2 Pt -","- C80 H112 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0667","","","","0.1801","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015320","15.102","0.008","10.781","0.006","16.525","0.01","90","","112.57","0.003","90","","2484","2","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(4,4'-diheptyl-2,2'-bipyridine-κ^2^N,N')platinum(II)","","- C24 H36 Cl2 N2 Pt -","- C24 H36 Cl2 N2 Pt -","- C96 H144 Cl8 N8 Pt4 -","4","1","OB1249","Kato, Masako; Okada, Yoshiko; Shishido, Yasuko; Kishi, Shinobu","Dichloro(4,4'-dialkyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II), where alkyl is pentyl and heptyl","Acta Crystallographica Section C","2006","62","5","m171","m173","10.1107/S010827010600758X","","","0.7107","MoKα","","","0.0409","","","","0.1151","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015321","18.138","0.004","9.589","0.0019","14.245","0.003","90","","105.3","0.03","90","","2389.8","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[trisilver(I)-di-μ~3~-N,N-diethyldithiocarbamato- 3'κ<i>S</i>:1κ<i>S</i>':2κ<i>S</i>;1κ<i>S</i>:2κ<i>S</i>':3κ<i>S</i>- μ~4~-N,N-diethyldithiocarbamato- 2κ<i>S</i>:3κ^2^<i>S</i>,<i>S</i>':1'κ<i>S</i>']","","- C15 H30 Ag3 N3 S6 -","- C15 H30 Ag3 N3 S6 -","- C60 H120 Ag12 N12 S24 -","4","0.5","OB3001","Yan-Wei Song; Zhan Yu; Qian-Feng Zhang","γ-Modification of poly[(<i>N</i>,<i>N</i>-diethyldithiocarbamato)silver(I)]","Acta Crystallographica Section C","2006","62","5","m214","m216","10.1107/S0108270106006688","","","0.71073","MoKα","","0.0405","0.0335","","","0.0763","0.0793","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015322","5.379","0.005","9.218","0.002","9.794","0.002","90","","92.28","0.04","90","","485.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","morpholine-2,5-dione","","- C4 H5 N O3 -","- C4 H5 N O3 -","- C16 H20 N4 O12 -","4","1","OB3002","Martínez-Palau, Meritxell; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi","Morpholine-2,5-dione","Acta Crystallographica Section C","2006","62","5","o262","o264","10.1107/S0108270106010079","","","0.71073","MoKα","","0.0594","0.044","","","0.1187","0.1296","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015323","7.5388","0.0011","8.9545","0.0013","12.1647","0.0018","80.005","0.002","85.968","0.002","83.504","0.002","802.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(dipropylamino)ethyl]-2,3-dihydro-1H-indol-2-ol hydrochloride","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C32 H50 Cl2 N4 O2 -","2","1","SJ2022","Krishnan Ravikumar; Balasubramanian Sridhar","Ropinirole hydrochloride, a dopamine agonist","Acta Crystallographica Section C","2006","62","5","o265","o267","10.1107/S0108270106010535","","","0.71073","MoKα","","0.0397","0.0368","","","0.0994","0.1014","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015324","16.9402","0.0016","18.6388","0.0018","17.2684","0.0016","90","","110.679","0.007","90","","5101.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ~6~-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane- 2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide pyrazine solvate","","- C47 H115 Cu8 N11 O41 Si16 -","- C47 H115 Cu8 N11 O41 Si16 -","- C94 H230 Cu16 N22 O82 Si32 -","2","0.5","SK3009","Zherlitsyna, Larissa; Auner, Norbert; Bolte, Michael","Bis(μ~6~-<i>cis</i>-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide solvate enclosing a pyrazine molecule","Acta Crystallographica Section C","2006","62","5","m199","m200","10.1107/S0108270106008924","","","0.71073","MoKα","","0.0866","0.0387","","","0.0613","0.0688","","","","","","0.743","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015325","9.6108","0.0001","9.6349","0.0001","30.6453","0.0003","90","","90","","90","","2837.73","0.05","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylideneamine)iron(II)","","- C22 H43 Cl3 Fe N6 -","- C22 H43 Cl3 Fe N6 -","- C88 H172 Cl12 Fe4 N24 -","4","1","SK3010","Petrovic, Dejan; Tamm, Matthias; Herdtweck, Eberhardt","Strong hydrogen bonds in the ionic pair (1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylideneamine)iron(II)","Acta Crystallographica Section C","2006","62","5","m217","m219","10.1107/S0108270106008778","","","0.71073","MoKα","","0.0285","0.0247","","","0.0534","0.0547","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015326","7.3497","0.0002","12.8535","0.0003","14.5334","0.0004","109.976","0.001","94.028","0.001","92.551","0.001","1283.73","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Benzyl 4-chloro-3-nitrobenzoate","","- C14 H10 Cl N O4 -","- C14 H10 Cl N O4 -","- C56 H40 Cl4 N4 O16 -","4","2","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0481","0.0379","","","0.0939","0.1002","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015327","6.1574","0.0006","7.4487","0.0006","26.341","0.003","90","","93.362","0.003","90","","1206","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzyl 4-nitrobenzoate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","SK3011","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","A three-dimensional framework of π-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K","Acta Crystallographica Section C","2006","62","5","o295","o298","10.1107/S0108270106008535","","","0.71073","MoKα","","0.0833","0.0553","","","0.1241","0.1381","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015328","7.4885","0.0007","9.5175","0.0008","16.8193","0.0013","90","","91.067","0.007","90","","1198.53","0.18","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,4S,SFc)-4-(methoxymethyl)-2-[(2-dibenzo-1-thio-1H-1λ^5^- phosphol-1-yl)ferrocenyl]-1,3-dioxane","","- C28 H27 Fe O3 P S -","- C28 H27 Fe O3 P S -","- C56 H54 Fe2 O6 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0299","0.0273","","","0.0652","0.0664","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015329","7.111","0.0013","12.862","0.003","10.223","0.002","90","","96.73","0.02","90","","928.6","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(SFc)-[2-(2-dibenzo-1-thio-1H-1λ^5^-phosphol-1-yl)ferrocenyl]methanol","","- C23 H19 Fe O P S -","- C23 H19 Fe O P S -","- C46 H38 Fe2 O2 P2 S2 -","2","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.0288","0.0256","","","0.0596","0.0608","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015330","10.9693","0.001","11.0436","0.001","22.678","0.002","90","","90","","90","","2747.2","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(SFc)-diphenylphosphino-[2-(2-dibenzo-1H-1λ^5^-phospholyl)ferrocen-1- yl]methane","","- C35 H28 Fe P2 -","- C35 H28 Fe P2 -","- C140 H112 Fe4 P8 -","4","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.1212","0.0573","","","0.1034","0.1255","","","","","","0.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015331","11.735","0.003","9.263","0.003","15.34","0.002","90","","106.18","0.03","90","","1601.4","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(o-Carboxybenzoyl)-L-leucine methyl ester","2-{[(1S)-1-(methoxycarbonyl)-3-methylbutyl]aminocarbonyl}benzoic acid","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","2","SQ1242","Onofrio, Alvaro B.; Jäger, Eliezer; Brandão, Tiago A. S.; Bortoluzzi, Adailton J.; Nome, Faruk","<i>N</i>-(2-Carboxybenzoyl)-<small>L</small>-leucine methyl ester","Acta Crystallographica Section C","2006","62","5","o237","o239","10.1107/S0108270106006767","","","0.71073","MoKα","","0.1545","0.0603","","","0.1558","0.1923","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015332","7.378","0.003","23.875","0.006","23.984","0.006","90","","90","","90","","4225","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.1301","0.0748","","","0.1317","0.1479","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015333","15.332","0.004","7.993","0.002","17.235","0.004","90","","104.06","0.03","90","","2048.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C96 H80 Cl8 N16 -","4","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.079","0.0568","","","0.1346","0.1454","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015334","8.915","0.005","8.095","0.004","10.572","0.006","90","","116","0.02","90","","685.7","0.7","153","","153","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[diamminehexa-μ-cyano-dicopper(I)copper(II)mercury(II)]","","- C6 H6 Cu3 Hg N8 -","- C6 H6 Cu3 Hg N8 -","- C12 H12 Cu6 Hg2 N16 -","2","0.25","SQ3012","Nishikiori, Shin-ichi; Sekiya, Ryo; Hosoya, Kazumasa","Cu~3~(CN)~4~(NH~3~)~2~Hg(CN)~2~: a novel interpenetrating framework formed from Cu^I^, Cu^II^, Hg^II^ and cyanide bridges","Acta Crystallographica Section C","2006","62","5","i32","i34","10.1107/S0108270106011711","","","0.71075","MoKα","","0.0301","0.0301","","","0.0853","0.0853","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015335","10.4178","0.0002","10.6996","0.0002","24.6636","0.0005","90","","90","","90","","2749.16","0.09","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-Thr(OBn)-Aib-N(Me)Ph","O-benzyl-N-(benzyloxycarbonyl)threonyl-2,N-dimethylalaninanilide","","- C30 H35 N3 O5 -","- C30 H35 N3 O5 -","- C120 H140 N12 O20 -","4","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0497","0.0374","","","0.0831","0.0897","","","","","","1.072","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015336","6.2705","0.0001","9.7577","0.0002","13.2491","0.0003","106.648","0.0013","94.2733","0.001","105.726","0.0012","737.36","0.03","160","1","160","1","","","","","","","","4","P 1","P 1","1","Z-Val-Aib-Hyp(OBn)-OMe","methyl (4R)-N-(benzyloxycarbonyl)valyl-2-methylalanyl-4-(benzyloxy)prolinate","","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","- C30 H39 N3 O7 -","1","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0415","0.0358","","","0.0809","0.0852","","","","","","1.07","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015337","5.0977","0.001","11.444","0.002","12.183","0.002","90","","95.58","0.03","90","","707.4","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[tetraaquamanganese(II)]-μ-4- (carboxylatomethylsulfanyl)phenoxyacetato]","","- C10 H16 Mn O9 S -","- C10 H16 Mn O9 S -","- C20 H32 Mn2 O18 S2 -","2","1","TY1014","Hong Su; Yun-Long Feng; Yi-Hang Wen","<i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-4-(carboxylatomethylsulfanyl)phenoxyacetato]","Acta Crystallographica Section C","2006","62","5","m208","m210","10.1107/S010827010601184X","","","0.71073","MoKα","","0.0271","0.025","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015338","10.5886","0.0015","14.0238","0.0019","17.135","0.002","90","","106.838","0.002","90","","2435.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~glutarato-κ^3^O:O':O'')(μ~2~-1,3-di-4-pyridylpropane- κ^2^N:N')dizinc(II)]","","- C23 H26 N2 O8 Zn2 -","- C23 H26 N2 O8 Zn2 -","- C92 H104 N8 O32 Zn8 -","4","0.5","AV3006","Zhang, Qi-Wei; Wen, Yi-Hang; Feng, Yun-Long","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')(μ~3~-glutarato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')dizinc(II)]","Acta Crystallographica Section C","2006","62","6","m255","m257","10.1107/S0108270106016726","","","0.71073","MoKα","","","0.0487","","","0.1122","0.1304","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015339","16.0038","0.0017","5.8679","0.0007","15.9529","0.0018","90","","104.235","0.008","90","","1452.1","0.3","93","1","","","","","","","","","","4","C 1 2 1","C 2y","5","3-methyl-2-benzothiazolinone azine","(1Z,2Z)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","AV3007","Nakano, Taku; Kakuda, Hiroko; Mori, Yoshihiro; Shiro, Motoo","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine","Acta Crystallographica Section C","2006","62","6","o331","o332","10.1107/S0108270106014223","","","1.54187","CuKα","","","0.0331","","","","0.0939","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015340","8.999","0.005","11.735","0.007","12.393","0.007","90","","98.799","0.012","90","","1293.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-naphthoic‒4,4'-bipyridine (2/1)","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","0.5","AV3011","Lou, Ben-Yong; Huang, Xiao-Dong; Lin, Xiang-Chao","The cocrystal of 3-hydroxy-2-naphthoic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2006","62","6","o310","o311","10.1107/S0108270106013461","","","0.71073","MoKα","","0.0912","0.0542","","","0.1342","0.1581","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015341","13.9736","0.0017","7.5445","0.0009","13.1729","0.0015","90","","119.788","0.002","90","","1205.2","0.2","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CaZn(C~3~H~2~O~4~)~2~(H~2~O)~4~]","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","","- C6 H12 Ca O12 Zn -","- C6 H12 Ca O12 Zn -","- C24 H48 Ca4 O48 Zn4 -","4","0.5","AV3015","Xu-Cheng Fu; Ming-Tian Li; Xiao-Yan Wang; Cheng-Gang Wang; Xiao-Tao Deng","Poly[tetraaquadi-μ~3~-malonato-calcium(II)zinc(II)]","Acta Crystallographica Section C","2006","62","6","m258","m260","10.1107/S0108270106014582","","","0.71073","MoKα","","0.0238","0.0224","","","0.0589","0.0601","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015342","34.364","0.009","7.045","0.002","6.1736","0.0017","90","","91.349","0.004","90","","1494.2","0.7","289","2","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","diammonium trimagnesium hydrogenophosphite hexahydrate","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","","- H48 Mg3 N2 O30 P4 -","- H48 Mg3 N2 O30 P4 -","- H96 Mg6 N4 O60 P8 -","2","0.25","BC1091","Abdallah, Khaoulani Idrissi; Mohamed, Saadi; Mohamed, Rafiq; Abdelhalim, Guelzim","Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)","Acta Crystallographica Section C","2006","62","6","i43","i45","10.1107/S0108270106008882","","","0.71073","MoKα","","","0.033","","","","0.0915","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015343","21.3281","0.0007","21.3281","0.0007","4.1993","0.0003","90","","90","","120","","1654.29","0.14","293","","293","","","","","","","","","3","P -6","P -6","174","barium fluoride chloride","heptabarium dodecafluoride dichloride","","- Ba4.6667 Cl1.3333 F8 -","- Ba4.66667 Cl1.33333 F8 -","- Ba28 Cl8 F48 -","6","1","BC1095","Bernsteiner, Anita; Kubel, Frank","A hexagonal 2<i>a</i>,<i>c</i> superstructure of Ba~7~F~12~Cl~2~","Acta Crystallographica Section C","2006","62","6","i41","i42","10.1107/S010827010601273X","","","0.71073","MoKα","","0.0652","0.0375","","","","0.0309","","","2.382","","","2.3821","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015344","8.353","0.003","12.357","0.004","12.934","0.004","90","","103.916","0.005","90","","1295.8","0.7","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","triacetato-1κO,3κ^4^O,O'-(2,2'-iminodiethanol)-1κ^2^O,O'-bis(2,2'- iminodiethanolato)-1κ^2^O:2κ^6^O,N,O':3κ^2^O'-cobalt(III)copper(II)zinc(II)","","- C18 H38 Co Cu N3 O12 Zn -","- C18 H38 Co Cu N3 O12 Zn -","- C36 H76 Co2 Cu2 N6 O24 Zn2 -","2","1","BG1028","Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Skelton, Brian W.","A heterotrimetallic Cu‒Co‒Zn complex with the 2,2'-iminodiethanol ligand","Acta Crystallographica Section C","2006","62","6","m246","m248","10.1107/S010827010601523X","","","0.71073","MoKα","","0.09","0.065","","0.118","","0.092","","","1.331","","","1.178","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015345","13.3025","0.0012","6.169","0.0006","23.026","0.002","90","","98.69","0.01","90","","1867.9","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ferrocene‒decafluorobiphenyl (1/1)","","- C22 H10 F10 Fe -","- C22 H10 F10 Fe -","- C88 H40 F40 Fe4 -","4","0.5","BG3003","Batsanov, Andrei S.; Collings, Jonathan C.; Marder, Todd B.","Arene‒perfluoroarene interactions in crystal engineering. XV. Ferrocene‒decafluorobiphenyl (1/1)","Acta Crystallographica Section C","2006","62","6","m229","m231","10.1107/S0108270106014090","","","0.71073","MoKα","","0.0536","0.0389","","","0.0911","0.0978","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015346","10.3661","0.0002","9.5622","0.0002","9.1261","0.0002","90","","108.386","0.001","90","","858.43","0.03","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cis-(isopropylamine) ammine dichloro platinum(II)","cis-Amminedichloroisopropylamineplatinum(II)","","- C3 H12 Cl2 N2 Pt -","- C3 H12 Cl2 N2 Pt -","- C12 H48 Cl8 N8 Pt4 -","4","1","DN3009","Kirik, Sergei D.; Starkov, Aleksandr K.; Kozhuhovskay, Galina A.","<i>cis</i>-Amminedichloroisopropylamineplatinum(II) by X-ray powder diffraction analysis","Acta Crystallographica Section C","2006","62","6","m249","m251","10.1107/S0108270106013503","","","1.5418","CuKα","","","","","","","","","","1.29","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015347","7.4592","0.0017","10.251","0.002","11.624","0.003","78.603","0.005","85.529","0.007","83.151","0.008","863.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[{Cu(phen)}~2~(tp)Mo~4~O~13~]~n~","poly[di-μ~3~-oxo-hepta-μ~2~oxo-tetraoxobis(1,10-phenanthroline)-μ~4~- terephthalato-dicopper(II)tetramolybdate(VI)","","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","- C32 H20 Cu2 Mo4 N4 O17 -","1","0.5","DN3010","Xiao-Yuan Wu; Quan-Guo Zhai; Li-Juan Chen; Can-Zhong Lu","An extended two-dimensional copper‒molybdate compound with mixed dicarboxyl and organodiamine ligands","Acta Crystallographica Section C","2006","62","6","m261","m263","10.1107/S0108270106013412","","","0.71073","MoKα","","0.0227","0.0198","","","0.0533","0.0543","","","","","","1.019","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2015348","4.06048","0.00006","4.06048","","4.06048","","89.8693","0.0004","89.8693","","89.8693","","66.9466","0.001","4.2","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.611 O3 Pb Zn0.389 -","- Nb0.611 O3 Pb Zn0.389 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","2.48","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015349","4.0624","0.00008","4.0624","","4.0624","","89.9226","0.0005","89.9226","","89.9226","","67.042","0.0013","295","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","","","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","- Nb0.61 O3 Pb Zn0.39 -","1","0.166667","FA1185","Kisi, Erich H.; Forrester, Jennifer S.; Knight, Kevin S.","PbZn~1/3~Nb~2/3~O~3~ at 4.2 and 295K","Acta Crystallographica Section C","2006","62","6","i46","i48","10.1107/S0108270106011991","","neutron","","time-of-flightneutron","","","","","","","","","","1.49","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015350","16.727","0.001","14.152","0.001","8.718","0.001","90","","90.79","0.01","90","","2063.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","mammeigin","5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H- pyrano[2,3-f]chromen-2-one","","- C25 H24 O5 -","- C25 H24 O5 -","- C100 H96 O20 -","4","1","FA3017","Doriguetto, Antônio C.; Ellena, Javier; Dos Santos, Marcelo H.; Moreira, Maria E. C.; Nagem, Tanus J.","Mammeigin","Acta Crystallographica Section C","2006","62","6","o350","o352","10.1107/S0108270106017409","","","0.71073","MoKα","","","0.0436","","","","0.105","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015351","11.6451","0.0004","14.7287","0.0006","14.2679","0.0006","90","","108.09","0.001","90","","2326.23","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Nitrato-κ^2^O,O')bis(triethanolamine-κ^4^N,O,O',O'')lanthanum(III) dinitrate","","- C12 H30 La N5 O15 -","- C12 H30 La N5 O15 -","- C48 H120 La4 N20 O60 -","4","0.5","FG3009","Fowkes, Adrian; Harrison, William T. A.","(Nitrato-κ^2^<i>O</i>,<i>O</i>')bis(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')lanthanum(III) dinitrate","Acta Crystallographica Section C","2006","62","6","m232","m233","10.1107/S0108270106011826","","","0.71073","MoKα","","0.0329","0.0276","","","0.0719","0.074","","","","","","1.058","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"2015352","12.4256","0.0014","12.5254","0.0015","12.6935","0.0015","79.465","0.003","89.731","0.003","89.361","0.002","1942.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) dibromide","","- C13 H32 Br2 N6 -","- C13 H32 Br2 N6 -","- C52 H128 Br8 N24 -","4","2","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0942","0.0578","","","0.1285","0.1388","","","","","","0.987","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015353","17.577","0.0008","9.3797","0.0004","22.4953","0.001","90","","107.034","0.001","90","","3546","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetraphenylborate chloride","","- C37 H52 B Cl N6 -","- C37 H52 B Cl N6 -","- C148 H208 B4 Cl4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.1231","0.0439","","","0.0603","0.0722","","","","","","0.909","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015354","8.3199","0.0004","18.0809","0.0009","15.8086","0.0008","90","","104.291","0.001","90","","2304.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) tetrachloromercurate","","- C13 H32 Cl4 Hg N6 -","- C13 H32 Cl4 Hg N6 -","- C52 H128 Cl16 Hg4 N24 -","4","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0322","0.0281","","","0.0843","0.0867","","","","","","1.068","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015355","8.8771","0.0007","12.3802","0.001","12.5704","0.001","108.939","0.002","91.478","0.002","97.775","0.002","1291.1","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) bis(trifluoromethanesulfonate)","","- C15 H32 F6 N6 O6 S2 -","- C15 H32 F6 N6 O6 S2 -","- C30 H64 F12 N12 O12 S4 -","2","1","FG3012","Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald","The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes","Acta Crystallographica Section C","2006","62","6","m234","m237","10.1107/S0108270106014429","","","0.71073","MoKα","","0.0535","0.0456","","","0.1146","0.1206","","","","","","1.03","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015356","5.6207","0.0006","35.556","0.004","35.835","0.004","90","","90","","90","","7161.6","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-phenylalanyl-L-tryptophan 0.75-hydrate","","- C20 H22.5 N3 O3.75 -","- C20 H22.5 N3 O3.75 -","- C320 H360 N48 O60 -","16","4","FG3015","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-tryptophan 0.75-hydrate","Acta Crystallographica Section C","2006","62","6","o328","o330","10.1107/S0108270106014491","","","0.71073","MoKα","","0.2144","0.079","","","0.1387","0.1822","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015357","23.988","0.005","8.754","0.005","37.986","0.005","90","","95.718","0.005","90","","7937","5","173","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Octakis(3-propylammonium) octadecaiodopentaplumbate(II)","","- C24 H80 I18 N8 Pb5 -","- C24 H80 I18 N8 Pb5 -","- C96 H320 I72 N32 Pb20 -","4","1","FG3016","Billing, David G.; Lemmerer, Andreas","Octakis(3-propylammonium) octadecaiodopentaplumbate(II): a new layered stucture based on layered perovskites","Acta Crystallographica Section C","2006","62","6","m238","m240","10.1107/S0108270106014417","","","0.71069","MoKα","","","0.0448","","","","0.108","","","","","","0.997","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015358","8.0388","0.0001","6.1476","0.0001","15.839","0.0001","90","","92.923","0.001","90","","781.734","0.017","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1-thyminyl)acetamide","(1-thyminyl)acetamide(5-methyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)acetamide","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","GD3012","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Molecular packing in (5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide","Acta Crystallographica Section C","2006","62","6","o344","o345","10.1107/S0108270106015460","","","0.71073","MoKα","","0.0367","0.0363","","","0.0939","0.0942","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015359","6.889","0.002","9.684","0.003","12.719","0.004","90","","90","","90","","848.5","0.4","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis(1-methyl-1H-tetrazol-5-yl)diazene","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0349","0.0308","","","0.087","0.0919","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015360","9.943","0.002","6.4899","0.0018","18.33","0.004","90","","90","","90","","1182.8","0.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[[μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]dicopper(I)]-di-μ-chloro]","","- C4 H6 Cl2 Cu2 N10 -","- C4 H6 Cl2 Cu2 N10 -","- C16 H24 Cl8 Cu8 N40 -","4","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0435","0.0373","","","0.0894","0.0933","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015361","8.528","0.002","6.2456","0.0013","10.059","0.002","90","","105.462","0.019","90","","516.4","0.2","292","2","292","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]]","","- C4 H6 Cl Cu N10 -","- C4 H6 Cl Cu N10 -","- C8 H12 Cl2 Cu2 N20 -","2","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0579","0.0457","","","0.1174","0.127","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015362","6.6567","0.0002","9.1317","0.0003","10.8486","0.0003","99.2298","0.0016","98.278","0.002","99.5405","0.0019","631.98","0.03","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","rac-3-hydroxy-N-[1-methyl-1-(N-methyl-N-phenylcarbamoyl)ethyl]- 2-phenylpropanamide","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.078","0.0519","","","0.1206","0.1387","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015363","10.1934","0.0002","9.9466","0.0002","11.9331","0.0003","90","","103.392","0.0009","90","","1177","0.04","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-2-(2-hydroxy-1-phenylethyl)-4,4-dimethyl-1,3-oxazol-5(4H)-one","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0597","0.042","","","0.0974","0.1078","","","","","","1.037","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015364","15.9437","0.0002","19.1979","0.0004","11.2587","0.0002","90","","132.918","0.0007","90","","2523.69","0.08","160","1","160","1","","","","","","","","4","C 1 c 1","C -2yc","9","","(6RS,13RS)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa- 4,11-diazacyclotetradecane-2,5,9,12-tetraone","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C104 H120 N8 O24 -","4","1","GD3017","Linden, Anthony; Iliev, Boyan; Heimgartner, Heinz","<i>cis</i>-(6<i>RS</i>,13<i>RS</i>)-3,3,10,10-Tetramethyl-6,13-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetraone and two of its precursors","Acta Crystallographica Section C","2006","62","6","o339","o343","10.1107/S010827010601420X","","","0.71073","MoKα","","0.0496","0.0384","","","0.0907","0.0968","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2015365","9.7917","0.001","7.9649","0.0008","15.0594","0.0016","90","","107.985","0.003","90","","1117.1","0.2","173","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[bis(tert-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","","- C8 H28 I4 N2 O2 Pb -","- C8 H28 I4 N2 O2 Pb -","- C16 H56 I8 N4 O4 Pb2 -","2","0.5","GD3019","Billing, David G.; Lemmerer, A.","<i>catena</i>-Poly[bis(<i>tert</i>-butylammonium) [plumbate(II)-tri-μ-iodo] iodide dihydrate]","Acta Crystallographica Section C","2006","62","6","m264","m266","10.1107/S0108270106016167","","","0.71073","MoKα","","","0.0392","","","","0.1007","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015366","10.9366","0.0001","8.0785","0.0001","22.0995","0.0002","90","","103.324","0.001","90","","1899.96","0.03","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-di-O-p-toluoyltartrate methanol disolvate monohydrate","bis[(R)-(+)-1-phenylethylammonium] (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate methanol disolvate monohydrate","","- C38 H50 N2 O11 -","- C38 H50 N2 O11 -","- C76 H100 N4 O22 -","2","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0381","0.0361","","","0.0938","0.0952","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015367","6.8805","0.0001","19.2606","0.0001","25.5545","0.0002","90","","90","","90","","3386.55","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(benylammonium) (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate dihydrate","","- C34 H40 N2 O10 -","- C34 H40 N2 O10 -","- C136 H160 N8 O40 -","4","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0375","0.034","","","0.0817","0.0836","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015368","11.2499","0.0002","11.8622","0.0003","18.232","0.0005","90","","107.875","0.0015","90","","2315.59","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,6SR)-N-diphenylacetyl-2,6-diphenyl-4-piperidone","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.0666","0.0454","","","0.1015","0.1126","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015369","9.9503","0.0004","11.8623","0.0006","18.5654","0.0008","77.92","0.002","84.699","0.003","85.731","0.002","2130.23","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(2RS,3SR,5RS,6SR)-3,5-dimethyl-N-phenylacetyl-2,6-diphenyl-4-piperidinone","","- C27 H27 N O2 -","- C27 H27 N O2 -","- C108 H108 N4 O8 -","4","2","GG3009","Thanikasalam, Kanagasabapathy; Jeyaraman, Ramasubbu; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Sheets built from C—H···O and C—H···π(arene) hydrogen bonds in (2<i>RS</i>,6<i>SR</i>)-<i>N</i>-diphenylacetyl-2,6-diphenylpiperidin-4-one and (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-3,5-dimethyl-<i>N</i>-phenylacetyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section C","2006","62","6","o324","o327","10.1107/S0108270106013874","","","0.71073","MoKα","","0.1399","0.0879","","","0.2276","0.2616","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015370","16.4251","0.0007","10.2676","0.0005","16.355","0.0007","90","","90","","90","","2758.2","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV)","(1,4,7,10,13,16-hexaoxacyclooctadecane-1κ^6^O)-μ-oxo-1:2κ^2^O:O- hexakis(tetrahydroborato)-1κ^3^H;2κ^4^H;2κ^9^H-diuranium(IV)","","- C12 H48 B6 O7 U2 -","- C12 H48 B6 O7 U2 -","- C48 H192 B24 O28 U8 -","4","1","GG3015","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV): an unprecedented asymmetric dinuclear complex","Acta Crystallographica Section C","2006","62","6","m243","m245","10.1107/S0108270106014934","","","0.71073","MoKα","","0.0368","0.0293","","","0.057","0.059","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015371","6.0931","0.0002","10.2759","0.0003","15.2973","0.0005","90","","92.148","0.001","90","","957.12","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(4-oxo-1,4-dihydro-1-pyridyl)phenyl]pyridin-4(1H)-one‒terephthalic acid","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C48 H36 N4 O12 -","2","0.5","GZ3009","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","Hydrogen-bonded 1:1 adduct of 1,1'-(<i>p</i>-phenylene)dipyridin-4(1<i>H</i>)-one with terephthalic acid","Acta Crystallographica Section C","2006","62","6","o336","o338","10.1107/S0108270106015174","","","0.71073","MoKα","","0.048","0.041","","","0.116","0.121","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015372","9.2915","0.001","9.4337","0.0009","16.9287","0.0017","76.401","0.002","88.716","0.002","82.104","0.002","1428.5","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium hydrogen L-malate pentahydrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen (S)-malate pentahydrate","","- C27 H42 N2 O14 -","- C27 H42 N2 O14 -","- C54 H84 N4 O28 -","2","2","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0414","0.0357","","","0.0698","0.0724","","","","","","0.898","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015373","12.2719","0.0007","13.5151","0.0008","14.3814","0.0009","90","","90","","90","","2385.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium hydrogen L-tartrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen 2(R),3(R)-tartrate","","- C27 H32 N2 O10 -","- C27 H32 N2 O10 -","- C108 H128 N8 O40 -","4","1","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0499","0.0395","","","0.0686","0.0709","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015374","10.3364","0.0003","21.9437","0.0009","12.6549","0.0004","90","","93.517","0.003","90","","2864.96","0.17","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)- 3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","","- C32 H31 Br F5 N2 Rh -","- C32 H31 Br F5 N2 Rh -","- C128 H124 Br4 F20 N8 Rh4 -","4","1","GZ3014","Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan","Bromo(η^4^-cycloocta-1,5-diene)[1-(2,3,4,5,6-pentafluorobenzyl)-3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]rhodium(I)","Acta Crystallographica Section C","2006","62","6","m252","m254","10.1107/S0108270106016052","","","0.71073","MoKα","","0.0409","0.034","","","0.0911","0.0944","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015375","7.379","0.003","17.139","0.004","10.788","0.003","90","","105.6","0.02","90","","1314.1","0.7","291","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium isatin-3-semicarbazone-5-sulfonate","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1H-indole-5-sulfonate dihydrate","","- C9 H11 N4 Na O7 S -","- C9 H7 N4 Na O7 S -","- C36 H28 N16 Na4 O28 S4 -","4","1","HJ3004","Pelosi, G.; Belicchi Ferrari, M.; Rodríguez-Argüelles, M. C.; Mosquera-Vázquez, S.; Sanmartín, J.","Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1<i>H</i>-indole-5-sulfonate dihydrate","Acta Crystallographica Section C","2006","62","6","m241","m242","10.1107/S0108270106011590","","","0.71069","MoKα","","0.1721","0.0566","","","0.0874","0.1117","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015376","3.7889","0.0009","15.58","0.004","10.759","0.003","90","","93.73","0.03","90","","633.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Formylbenzonitrile","","- C8 H5 N O -","- C8 H5 N O -","- C32 H20 N4 O4 -","4","1","JZ3013","Britton, Doyle; Cramer, Christopher J.","2-Formylbenzonitrile","Acta Crystallographica Section C","2006","62","6","o307","o309","10.1107/S0108270106013138","","","0.71073","MoKα","","0.051","0.042","","","0.095","0.101","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015377","13.094","0.005","7.84","0.003","18.854","0.005","90","","126.182","0.018","90","","1562.2","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Glycylglycinato-κ^3^O,N,N')(2-methyl-1H-benzimidazole-κN^3^)copper(II) trihydrate","","- C12 H20 Cu N4 O6 -","- C12 H20 Cu N4 O6 -","- C48 H80 Cu4 N16 O24 -","4","1","OB3003","Li, Li; Zhu, Miao-Li; Lu, Li-Ping","(Glycylglycinato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>')(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II) trihydrate","Acta Crystallographica Section C","2006","62","6","m227","m228","10.1107/S0108270106014132","","","0.71073","MoKα","","0.0684","0.0599","","","0.1231","0.1268","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015378","12.0141","0.0004","12.3388","0.0005","15.6913","0.0006","90","","90","","90","","2326.07","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound II","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0436","0.0374","","","0.0953","0.0992","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015379","10.5916","0.0014","11.3683","0.0015","17.747","0.002","90","","90","","90","","2136.9","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound III","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C24 H32 B N O2 -","- C24 H32 B N O2 -","- C96 H128 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0351","0.0304","","","0.0772","0.0812","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015380","9.8152","0.0004","22.6374","0.0009","10.0469","0.0004","90","","90.449","0.002","90","","2232.26","0.16","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound IV","(2<i>Z</i>)-2-buten-2-yl-6-isobutyl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","2","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0418","0.0347","","","0.0896","0.0946","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015381","9.3814","0.0001","9.7427","0.0001","15.51","0.001","90","","103.487","0.001","90","","1378.52","0.09","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","","- C12 H13 Cu N3 O6 -","- C12 H13 Cu N3 O6 -","- C48 H52 Cu4 N12 O24 -","4","1","SF3005","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(di-2-pyridylamine)oxalatocopper(II) monohydrate","Acta Crystallographica Section C","2006","62","6","m267","m268","10.1107/S0108270106016398","","","0.71073","MoKα","","0.028","0.0237","","","0.0673","0.0689","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015382","7.8647","0.0018","11.776","0.003","15.904","0.004","70.095","0.003","87.137","0.004","78.855","0.004","1358.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, hydrazine","hydrazinium saccharinate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C42 H54 N18 O18 S6 -","6","3","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0811","0.0523","","","0.1062","0.1183","","","","","","0.996","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015383","7.1684","0.0019","9.964","0.003","13.185","0.004","84.557","0.004","86.387","0.004","76.149","0.004","909.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, ethylenedimaine","ethylenediaminium bis(saccharinate)","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0824","0.0519","","","0.117","0.1303","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015384","9.0016","0.0011","11.2539","0.0013","10.0269","0.0012","90","","109.196","0.001","90","","959.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","saccharin, 1,4-butyldiamine","butane-1,4-diaminium bis(saccharinate)","","- C18 H22 N4 O6 S2 -","- C18 H22 N4 O6 S2 -","- C36 H44 N8 O12 S4 -","2","0.5","SF3006","Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju","Solid-state architecture of saccharin salts of some diamines","Acta Crystallographica Section C","2006","62","6","o346","o349","10.1107/S0108270106016374","","","0.71073","MoKα","","0.0328","0.0315","","","0.0816","0.083","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015385","6.9336","0.0012","11.998","0.002","9.4691","0.0016","90","","107.365","0.002","90","","751.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Desloratadine","8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine","","- C19 H19 Cl N2 -","- C19 H19 Cl N2 -","- C38 H38 Cl2 N4 -","2","1","SK3005","Prashant M. Bhatt; Gautam R. Desiraju","Form I of desloratadine, a tricyclic antihistamine","Acta Crystallographica Section C","2006","62","6","o362","o363","10.1107/S0108270106012571","","","0.71073","MoKα","","0.0334","0.032","","","0.0744","0.0754","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015386","7.2865","0.0003","8.2885","0.0004","8.4596","0.0003","78.328","0.002","86.105","0.002","66.388","0.002","458.41","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","8-hydroxyquinolinium chloride monohydrate","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C18 H20 Cl2 N2 O4 -","2","1","SK3016","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","Formation of ladders from <i>R</i>~4~^4^(8) and <i>R</i>~6~^6^(12) rings in 8-hydroxyquinolinium chloride monohydrate: comparisons with the supramolecular arrangements in related salts","Acta Crystallographica Section C","2006","62","6","o312","o314","10.1107/S0108270106013473","","","0.71073","MoKα","","0.04","0.0326","","","0.0814","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015387","4.7917","0.0002","11.5905","0.0006","14.0496","0.0005","90","","98.372","0.003","90","","771.97","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dinitrophenylhydrazine","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","SK3017","Wardell, James L.; Low, John N.; Glidewell, Christopher","2,4-Dinitrophenylhydrazine, redetermined at 120K: a three-dimensional framework built from N—H···O, N—H···(O)~2~, N—H···π(arene) and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","6","o318","o320","10.1107/S0108270106013114","","","0.71073","MoKα","","0.098","0.0523","","","0.1226","0.1432","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015388","9.3617","0.0006","11.093","0.0005","7.6482","0.0004","90","","101.146","0.002","90","","779.28","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Iodoisatin","5-iodo-1H-indole-2,3-dione","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0235","0.0201","","","0.0495","0.0509","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015389","5.1704","0.0002","15.5609","0.0011","10.578","0.0007","90","","102.713","0.004","90","","830.2","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-trifluoromethylisatin","7-trifluoromethyl-1H-indole-2,3-dione","","- C9 H4 F3 N O2 -","- C9 H4 F3 N O2 -","- C36 H16 F12 N4 O8 -","4","1","SK3019","Garden, Simon J.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings linked by iodo‒carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin","Acta Crystallographica Section C","2006","62","6","o321","o323","10.1107/S0108270106014284","","","0.71073","MoKα","","0.0637","0.0409","","","0.095","0.1054","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015390","8.528","0.0012","8.861","0.0014","11.734","0.0016","100.992","0.01","93.118","0.015","110.524","0.009","808.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C38 H36 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0853","0.0517","","","0.1238","0.1515","","","","","","1.076","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015391","17.7659","0.0006","8.573","0.0002","11.3982","0.0003","90","","101.094","0.002","90","","1703.58","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0783","0.0533","","","0.1341","0.1526","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015392","7.6778","0.0002","8.1298","0.0003","16.6417","0.0005","89.08","0.002","85.123","0.002","72.49","0.002","986.99","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-8,8-dimethyl-5-phenyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C24 H20 Cl N3 O -","- C24 H20 Cl N3 O -","- C48 H40 Cl2 N6 O2 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.0928","0.0486","","","0.1132","0.1339","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015393","5.819","0.0007","10.464","0.0013","13.847","0.002","78.447","0.012","79.647","0.009","84.882","0.012","811.37","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-8,8-dimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one monohydrate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C38 H42 N6 O4 -","2","1","SK3026","Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers","Acta Crystallographica Section C","2006","62","6","o364","o368","10.1107/S0108270106017598","","","0.71073","MoKα","","0.1809","0.0685","","","0.1589","0.2227","","","","","","1.043","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015394","7.8714","0.0002","6.1236","0.0002","10.5424","0.0003","90","","90","","90","","508.16","0.03","290","1","290","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dirubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0209","0.0179","","","0.0292","0.0303","","","","","","1.21","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015395","7.8403","0.0002","6.1034","0.0002","10.4813","0.0003","90","","90","","90","","501.56","0.03","130","1","130","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Di-rubidium fluorotrioxophosphate","","- F O3 P Rb2 -","- F O3 P Rb2 -","- F4 O12 P4 Rb8 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0223","0.0205","","","0.0322","0.0332","","","","","","1.39","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015396","8.308","0.002","6.3812","0.0009","11.036","0.002","90","","90","","90","","585.07","0.19","240","1","240","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0264","0.0221","","","0.0354","0.0368","","","","","","1.48","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015397","8.2821","0.0008","6.3577","0.0006","10.9827","0.0008","90","","90","","90","","578.3","0.09","100","1","100","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicaesium fluorotrioxophosphate","","- Cs2 F O3 P -","- Cs2 F O3 P -","- Cs8 F4 O12 P4 -","4","0.5","SQ3009","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Dirubidium fluorotrioxophosphate, Rb~2~PO~3~F, at 290 and 130K, and dicaesium fluorotrioxophosphate, Cs~2~PO~3~F, at 240 and 100K","Acta Crystallographica Section C","2006","62","6","i49","i52","10.1107/S0108270106016350","","","0.71069","MoKα","","0.0191","0.0165","","","0.0334","0.0356","","","","","","1.52","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015398","7.918","0.002","10.89","0.001","27.087","0.007","90","","95.72","0.02","90","","2324","0.9","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","O-[2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl] N-(4-methylphenyl)-N-(3-nitrobenzoyl)thiocarbamate","","- C25 H19 N3 O6 S -","- C25 H19 N3 O6 S -","- C100 H76 N12 O24 S4 -","4","1","TR1130","Angelo Mugnoli; Alberto Borassi; Andrea Spallarossa; Sara Cesarini","A novel potent non-nucleoside reverse transcriptase inhibitor acylthiocarbamate derivative with extensive intramolecular π‒π interactions","Acta Crystallographica Section C","2006","62","6","o315","o317","10.1107/S0108270106013175","","","0.7107","MoKα","","0.1194","0.055","","","0.1106","0.127","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015399","11.974","0.003","12.531","0.002","20.827","0.007","89.81","0.02","73.56","0.02","68.26","0.02","2765.9","1.4","293","2","","","","","","","","","","7","P -1","-P 1","2","","[4-(2-diphenylphosphino-α-ethoxybenzyl-κP)-S-methyl-1-(4-oxo-2- pentyl-κO)thiosemicarbazido-κ^2^N^1^,N^4^]nickel(II)","","- C28 H30 N3 Ni O2 P S -","- C28 H30 N3 Ni O2 P S -","- C112 H120 N12 Ni4 O8 P4 S4 -","4","2","AV3009","Drašković, Bojana M.; Bogdanović, Goran A.; Leovac, Vukadin M.; Brčeski, Ilija D.; Poleti, Dejan","Transition metal complexes with thiosemicarbazide-based ligands. LIII. [4-(2-Diphenylphosphino-α-ethoxybenzyl-κ<i>P</i>)-<i>S</i>-methyl-1-(4-oxidopent-3-en-4-ylidene-κ<i>O</i>)thiosemicarbazido-κ^2^<i>N</i>^1^,<i>N</i>^4^]nickel(II)","Acta Crystallographica Section C","2006","62","7","m319","m322","10.1107/S0108270106018932","","","0.71073","MoKα","","","0.0436","","","","0.1169","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015400","11.106","0.003","16.5606","0.0016","12.0351","0.0018","90","","111.463","0.012","90","","2060","0.7","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Piroxicam Benzoate","4-Benzoyloxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C88 H68 N12 O20 S4 -","4","1","AV3014","Tatiana N. Drebushchak; Natalia N. Pankrushina; Tatiana P. Shakhtshneider; Svetlana A. Apenina","4-Benzoyloxy-2-methyl-<i>N</i>-(2-pyridyl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-dioxide","Acta Crystallographica Section C","2006","62","7","o429","o431","10.1107/S0108270106020567","","","0.71073","MoKα","","0.1366","0.0618","","","0.1084","0.1349","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015401","18.862","0.002","10.5138","0.0011","19.081","0.002","90","","109.154","0.002","90","","3574.5","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-biphenyl-4,4'-diaminium bis(4'-amino-1,1'-biphenyl-4-aminium) tetrakis(2-carboxy-4,6-dinitrophenolate) ethanol disolvate","","- C68 H64 N14 O30 -","- C68 H64 N14 O30 -","- C136 H128 N28 O60 -","2","0.5","AV3018","Graham Smith; Urs D. Wermuth; Jonathan M. White","Mixed dicationic and monocationic benzidine species in the proton-transfer compound of benzidine with 3,5-dinitrosalicylic acid","Acta Crystallographica Section C","2006","62","7","o402","o404","10.1107/S010827010601821X","","","0.71073","MoKα","","0.1574","0.0493","","","0.0762","0.0976","","","","","","0.867","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015402","9.409","0.002","9.409","0.002","9.409","0.002","90","","90","","90","","833","0.3","200","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","Hexafluoroiodium(VII) hexafluoroarsenate","","","- As F12 I -","- As F12 I -","- As4 F48 I4 -","4","0.166667","BC3005","Evgeny Goreshnik; Zoran Mazej","Hexafluoroiodium(VII) hexafluoroarsenate","Acta Crystallographica Section C","2006","62","7","i59","i60","10.1107/S0108270106017719","","","0.71069","MoKα","","0.0423","0.0213","","","0.0523","0.0629","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015403","10.951","0.003","8.998","0.001","12.803","0.005","90","","128.94","0.02","90","","981.3","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium gadolinium polyphosphate","ammonium gadolinium tetrakis(phosphate)","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","1","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0304","0.0239","","","0.0532","0.0556","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015404","7.865","0.001","12.599","0.002","10.535","0.001","90","","110.83","0.01","90","","975.7","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium gadolinium cyclotetraphosphate","ammonium gadolinium cyclotetraphosphate","","- Gd H4 N O12 P4 -","- Gd H4 N O12 P4 -","- Gd4 H16 N4 O48 P16 -","4","0.5","BC3007","Ben Zarkouna, Emna; Driss, Ahmed; Férid, Mokhtar","Préparation et étude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~","Acta Crystallographica Section C","2006","62","7","i64","i66","10.1107/S0108270106021329","","","0.71069","MoKα","","0.0174","0.017","","","0.044","0.0442","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015405","12.394","0.003","14.823","0.003","14.924","0.003","97.707","0.006","113.562","0.005","112.86","0.005","2175.6","0.8","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","4-phenyl-1H-imidazolium hexa-μ~2~-chloro-chloro-μ~4~-oxo-tris(4-phenyl-1H-imidazole- κN^1^)tetracopper(II) monohydrate","","- C36 H35 Cl7 Cu4 N8 O2 -","- C36 H33 Cl7 Cu4 N8 O2 -","- C72 H66 Cl14 Cu8 N16 O4 -","2","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.099","0.0503","","","0.0577","0.0667","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015406","11.638","0.003","16.237","0.004","17.139","0.004","106.249","0.005","102.401","0.006","94.255","0.005","3005.5","1.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","hexa-μ~2~-chloro-chloro-μ~4~-oxo-tetrakis(pyridine N-oxide- κO)tetracopper(II) 0.2-hydrate","","- C20 H20 Cl6 Cu4 N4 O5 -","- C20 H20 Cl6 Cu4 N4 O5 -","- C80 H80 Cl24 Cu16 N16 O20 -","4","2","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.1545","0.0678","","","0.0773","0.0947","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015407","10.2454","0.0013","17.826","0.002","19.557","0.002","90","","94.877","0.002","90","","3558.9","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-chloro-chlorotetrakis(2-methyl-1H-imidazole- κN^1^)-μ~4~-oxo-tetracopper(II) methanol tetrasolvate, [Cu~4~Cl~6~O(C~4~H~6~N~2~)~4~].3CH~4~O","","- C19 H36 Cl6 Cu4 N8 O4 -","- C19 H36 Cl6 Cu4 N8 O4 -","- C76 H144 Cl24 Cu16 N32 O16 -","4","1","DN3008","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit","Acta Crystallographica Section C","2006","62","7","m311","m314","10.1107/S0108270106021354","","","0.71073","MoKα","","0.0695","0.0468","","","0.0986","0.1066","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015408","11.9697","0.0013","18.18","0.002","4.4626","0.0005","90","","90","","90","","971.1","0.19","295","1","295","1","","","","","","","","4","P b a m","-P 2 2ab","55","cadaverinium dichloride","Pentane-1,5-diammonium dichloride","","- C5 H16 Cl2 N2 -","- C5 H16 Cl2 N2 -","- C20 H64 Cl8 N8 -","4","0.5","DN3013","Pospieszna-Markiewicz, Izabela; Radecka-Paryzek, Wanda; Kubicki, Maciej","Cadaverinium dichloride: a case of centro‒non-centrosymmetric ambiguity","Acta Crystallographica Section C","2006","62","7","o399","o401","10.1107/S0108270106018397","","","0.71073","MoKα","","0.0501","0.0368","","","0.1","0.1086","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015409","8.094","0.002","8.522","0.003","12.847","0.005","87.2","0.02","85.7","0.01","65.92","0.02","806.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyridoxinium picrate","3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridinium 2,4,6-trinitrophenolate","","- C14 H14 N4 O10 -","- C14 H14 N4 O10 -","- C28 H28 N8 O20 -","2","1","DN3016","K. Anitha; S. Athimoolam; S. Natarajan","Pyridoxinium picrate","Acta Crystallographica Section C","2006","62","7","o426","o428","10.1107/S0108270106018373","","","0.71073","MoKα","","0.0596","0.0434","","","0.1192","0.1302","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015410","8.193","0.0015","12.442","0.002","12.584","0.003","109.846","0.005","99.918","0.005","98.33","0.015","1159.6","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","o-phenylenebis(diphenylphosphine)","1,2-bis(diphenylphosphino)benzene","","- C30 H24 P2 -","- C30 H24 P2 -","- C60 H48 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.1566","0.0563","","","0.1017","0.1319","","","","","","0.925","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015411","10.3323","0.0005","11.8412","0.001","12.7828","0.001","69.536","0.003","67.26","0.003","70.847","0.004","1317.22","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","o-phenylenebis(diphenylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]methyldiphenylphosphonium iodide","","- C31 H27 I P2 -","- C31 H27 I P2 -","- C62 H54 I2 P4 -","2","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0431","0.0312","","","0.0699","0.0741","","","","","","1.023","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015412","9.2002","0.0016","11.846","0.003","13.566","0.002","90","","94.312","0.014","90","","1474.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-phenylenebis(dimethylphosphine) monomethiodide","[2-(diphenylphosphino)phenyl]trimethylphosphonium iodide","","- C11 H19 I P2 -","- C11 H19 I P2 -","- C44 H76 I4 P8 -","4","1","FA3012","Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylphosphino)benzene and two related mono-methiodides, [<i>o</i>-C~6~H~4~(P<i>R</i>~2~)(P<i>R</i>~2~Me)]I (<i>R</i> = Ph or Me)","Acta Crystallographica Section C","2006","62","7","o438","o440","10.1107/S0108270106015915","","","0.71073","MoKα","","0.0846","0.0458","","","0.1038","0.1211","","","","","","0.967","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015413","12.442","0.003","8.333","0.0017","7.66","0.0015","90","","90.14","0.03","90","","794.2","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trifluoroacetate) trihydrate","","- C7 H14 F6 N6 O7 -","- C7 H14 F6 N6 O7 -","- C14 H28 F12 N12 O14 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.1074","0.0445","","","0.0892","0.1048","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015414","17.865","0.003","8.465","0.002","6.117","0.001","90","","100.22","0.01","90","","910.4","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,4,6-triamino-1,3,5-triazin-1,3-dium bis(trichloroacetate) dihydrate","","- C7 H12 Cl6 N6 O6 -","- C7 H12 Cl6 N6 O6 -","- C14 H24 Cl12 N12 O12 -","2","0.5","FA3013","Genivaldo Júlio Perpétuo; Jan Janczak","Two crystals of doubly protonated melaminium salts: melaminium bis(trifluoroacetate) trihydrate and melaminium bis(trichloroacetate) dihydrate","Acta Crystallographica Section C","2006","62","7","o372","o375","10.1107/S0108270106015873","","","0.71073","MoKα","","0.0378","0.0351","","","0.0819","0.0845","","","","","","1.002","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015415","9.509","0.005","9.509","0.005","10.989","0.008","90","","90","","120","","860.5","0.9","296.1","","293","2","","","","","","","","4","R -3 :H","-R 3","148","calcium yttrium tin oxide","","","- Ca0.8 O6 Sn0.8 Y2.4 -","- Ca0.8001 O6 Sn0.8 Y2.3999 -","- Ca4.8006 O36 Sn4.8 Y14.3994 -","6","0.333333","FA3014","Yusuke Kaminaga; Hisanori Yamane; Takahiro Yamada","Ca~0.8~Y~2.4~Sn~0.8~O~6~, a quaternary oxide with mixed occupations of Ca/Y and Y/Sn","Acta Crystallographica Section C","2006","62","7","i57","i58","10.1107/S0108270106017586","","","0.710747","MoKα","","0.0186","0.0179","","","0.0411","0.0414","","","","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015416","6.631","0.003","7.719","0.004","9.645","0.004","92.014","0.005","92.205","0.005","110.471","0.007","461.5","0.4","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","- C8 H20 F6 N4 O6 P Rh2 -","1","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0333","0.0263","","","0.0563","0.0581","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015417","11.69","0.0017","11.57","0.0013","7.98","0.0013","90","","110.51","0.006","90","","1010.9","0.3","118","2","118","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","diaquatetra-μ-acetamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C8 H24 F6 N4 O8 P Rh2 -","- C8 H24 F6 N4 O8 P Rh2 -","- C16 H48 F12 N8 O16 P2 Rh4 -","2","0.5","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.03","0.0265","","","0.0547","0.0558","","","","","","1.172","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015418","8.98","0.002","11.866","0.003","12.682","0.004","87.696","0.01","85.095","0.008","69.032","0.006","1257.2","0.6","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-propionamidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate dihydrate","","- C12 H32 F6 N4 O8 P Rh2 -","- C12 H32 F6 N4 O8 P Rh2 -","- C24 H64 F12 N8 O16 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.033","0.0264","","","0.0628","0.0654","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015419","9.1037","0.0004","11.0653","0.0001","14.0104","0.0005","73.667","0.01","82.14","0.01","79.49","0.01","1326.19","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Diaquatetra-μ-butyramidato-κ^4^N:O;κ^4^O:N-dirhodium(II,III) hexafluorophosphate","","- C16 H36 F6 N4 O6 P Rh2 -","- C16 H36 F6 N4 O6 P Rh2 -","- C32 H72 F12 N8 O12 P2 Rh4 -","2","1","FA3015","Ebihara, Masahiro; Fuma, Yasuhiro","Variation of hydrogen-bonded networks in hexafluorophosphate salts of amidate-bridged dirhodium(II,III) complexes with axial aqua ligands","Acta Crystallographica Section C","2006","62","7","m284","m289","10.1107/S0108270106018531","","","0.7107","MoKα","","0.0506","0.0405","","","0.0666","0.0693","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015420","21.293","0.003","5.9659","0.0008","4.4306","0.0006","90","","101.702","0.011","90","","551.13","0.13","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-decafluorodiphenylamine","","- C12 H F10 N -","- C12 H F10 N -","- C24 H2 F20 N2 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0292","0.0281","","","0.0789","0.0796","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015421","21.417","0.003","5.7778","0.0011","8.1895","0.0014","90","","94.312","0.013","90","","1010.5","0.3","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine‒diphenylamine (1/1)","","- C24 H12 F10 N2 -","- C24 H12 F10 N2 -","- C48 H24 F20 N4 -","2","0.5","FA3018","Grzegorczyk, Monika; Gdaniec, Maria","2,2',3,3',4,4',5,5',6,6'-Decafluorodiphenylamine and its 1:1 cocrystal with diphenylamine","Acta Crystallographica Section C","2006","62","7","o419","o422","10.1107/S0108270106019664","","","0.71073","MoKα","","0.0502","0.0477","","","0.1123","0.1143","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015422","16.044","0.004","17.619","0.004","17.942","0.005","90","","91.571","0.005","90","","5070","2","295","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexa-μ~2~-acetato-acetatoaqua(di-3-pyridylamine)di-μ~3~-oxo-tetrairon(III) chloride monohydrate ethanol 1.25-solvate","","- C36.5 H50.5 Cl Fe4 N6 O19.25 -","- C36.5 H45.25 Cl Fe4 N6 O19.25 -","- C146 H181 Cl4 Fe16 N24 O77 -","4","1","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1366","0.0677","","","0.1401","0.1599","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015423","32.147","0.006","12.048","0.002","8.0652","0.0016","90","","90","","90","","3123.7","1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-methylimidazolium hexa-μ~2~-acetato-acetatodiaqua-μ~3~-oxo-triiron(III) chloride dihydrate","","- C18 H36 Cl Fe3 N2 O19 -","- C18 H28 Cl Fe3 N2 O19 -","- C72 H112 Cl4 Fe12 N8 O76 -","4","0.5","FA3019","Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio","Two oxo complexes with tetranuclear [Fe~4~(μ~3~-O)~2~]^8+^ and trinuclear [Fe~3~(μ~3~-O)]^7+^ units","Acta Crystallographica Section C","2006","62","7","m297","m302","10.1107/S0108270106020087","","","0.71073","MoKα","","0.1551","0.0687","","","0.1645","0.2225","","","","","","1.013","","","","has coordinates,has Fobs","194047","2020-10-21","18:00:00",""
"2015424","6.704","0.002","10.493","0.003","28.536","0.007","90","","90","","90","","2007.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","triethylammonium adenosine cyclic 2',3'-phosphate","Triethylammonium 4-(6-aminopurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole","","- C16 H27 N6 O6 P -","- C16 H27 N6 O6 P -","- C64 H108 N24 O24 P4 -","4","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","1.5418","CuKα","","0.0516","0.0466","","","0.1211","0.126","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015425","10.611","0.003","7.931","0.003","12.585","0.003","90","","96.89","0.03","90","","1051.5","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","triethylammonium guanosine cyclic 2',3'-phosphate monohydrate","triethylammonium 4-(6-oxo-1,6-dihydropurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole monohydrate","","- C16 H29 N6 O8 P -","- C16 H29 N6 O8 P -","- C32 H58 N12 O16 P2 -","2","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","0.71073","MoKα","","0.0626","0.0424","","","0.0738","0.0771","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015426","12.159","0.0002","8.5666","0.0001","9.9999","0.0001","90","","90","","90","","1041.6","0.02","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-(4-hydroxyphenyl)-4,4-dimethyl-2-oxazoline","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","FG3022","Vratislav Langer; Dalma Gyepesová; Eva Scholtzová; Jozef Lustoň; Juraj Kronek; Miroslav Koóš","2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","7","o416","o418","10.1107/S0108270106019238","","","0.71073","MoKα","","0.0421","0.0364","","","0.1011","0.1054","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015427","12.9275","0.0012","14.0002","0.0013","19.6729","0.0014","100.747","0.007","102.467","0.007","96.879","0.008","3367.8","0.5","140","1","140","1","","","","","","","","5","P -1","-P 1","2","Compound (II)","{Bis(3,5-Di-tert-butyl-2-oxidobenzyl)[2-(N,N-dimethylamino)ethyl]amine- κ^4^N,N',O,O'}zinc(II)","","- C34 H54 N2 O2 Zn -","- C34 H54 N2 O2 Zn -","- C136 H216 N8 O8 Zn4 -","4","2","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.1111","0.0418","","","0.0617","0.0707","","","","","","0.794","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015428","13.669","0.003","17.476","0.004","12.989","0.004","90","","93.14","0.02","90","","3098.1","1.4","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound (III)","{bis(3-tert-butyl-5-methyl-2-oxidobenzyl)[2-(N,N- dimethylamino)ethyl]amine-κ^4^N,N',O,O'}(tetrahdyrofuran)zinc(II)","","- C32 H50 N2 O3 Zn -","- C32 H50 N2 O3 Zn -","- C128 H200 N8 O12 Zn4 -","4","1","FG3023","Howard, Ruth H.; Bochmann, Manfred; Wright, Joseph A.","{Bis(3,5-Di-<i>tert</i>-butyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}zinc(II) and {bis(3-<i>tert</i>-butyl-5-methyl-2-oxidobenzyl)[2-(<i>N</i>,<i>N</i>-dimethylamino)ethyl]amine-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}(tetrahdyrofuran)zinc(II)","Acta Crystallographica Section C","2006","62","7","m293","m296","10.1107/S0108270106018695","","","0.71073","MoKα","","0.2113","0.0486","","","0.0547","0.0731","","","","","","0.676","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015429","14.2329","0.0008","7.3321","0.0004","14.9255","0.001","90","","109.03","0.006","90","","1472.46","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Iodo-(picolinato-N,O)(picolinic acid-N,O)mercury(II)","Iodo(picolinato-κ^2^N,O)(picolinic acid-κ^2^N,O)mercury(II)","","- C12 H9 Hg I N2 O4 -","- C12 H9 Hg I N2 O4 -","- C48 H36 Hg4 I4 N8 O16 -","4","0.5","GA3005","Popović, Zora; Pavlović, Gordana; Soldin, Željka","Iodo(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinic acid-κ^2^<i>N</i>,<i>O</i>)mercury(II)","Acta Crystallographica Section C","2006","62","7","m272","m274","10.1107/S0108270106014788","","","0.71073","MoKα","","0.0216","0.021","","","0.0467","0.0471","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015430","13.3426","0.0014","13.3426","0.0014","9.049","0.002","90","","90","","90","","1610.9","0.4","298","2","298","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","0.5","GA3008","Imashiro, Fumio","3,3'-Dihydroxy-5,5,5',5'-tetramethyl-2,2'-thiodicyclohex-2-en-1-one","Acta Crystallographica Section C","2006","62","7","o410","o411","10.1107/S010827010601866X","","","0.71069","MoKα","","0.0505","0.034","","","0.0888","0.0967","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015431","14.803","0.002","14.803","0.002","16.991","0.004","90","","90","","90","","3723.2","1.1","294","2","294","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide","","- C12 H48 Cd I6 N12 Zn2 -","- C12 H48 Cd I6 N12 Zn2 -","- C48 H192 Cd4 I24 N48 Zn8 -","4","0.25","GD3008","Nesterova, Oksana V.; Petrusenko, Svitlana R.; Dyakonenko, Viktoria V.; Shishkin, Oleg V.; Linert, Wolfgang","A three-dimensional framework of bis[tris(ethylenediamine)zinc] tetraiodocadmate diiodide assisted by N—H···I hydrogen bonds","Acta Crystallographica Section C","2006","62","7","m281","m283","10.1107/S0108270106017720","","","0.71073","MoKα","","0.0357","0.0272","","","0.0607","0.0619","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015432","16.4733","0.0017","11.0224","0.001","19.693","0.002","90","","96.887","0.009","90","","3550","0.6","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Fe(Cp*)~2~][Ni(dmio)~2~]","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III) tetrahydrofuran solvate","","- C30 H38 Fe Ni O3 S8 -","- C30 H38 Fe Ni O3 S8 -","- C120 H152 Fe4 Ni4 O12 S32 -","4","1","GD3016","Rabaça, S.; Santos, I. C.; Duarte, M. T.; Gama, V.","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) tetrahydrofuran solvate","Acta Crystallographica Section C","2006","62","7","m278","m280","10.1107/S0108270106018191","","","0.71073","MoKα","","0.1652","0.072","","","0.122","0.149","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015433","14.708","0.003","15.633","0.003","19.158","0.004","94.99","0.03","96.62","0.03","114.88","0.03","3924.4","1.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","antimonium phthalocyanine","Tetrakis[phthalocyaninato(2-)antimony(III)] docosaiodohexaantimony(III)","","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","- C128 H64 I22 N32 Sb10 -","1","0.5","GD3021","Jan Janczak; Genivaldo Júlio Perpétuo","Tetrakis[phthalocyaninato(2‒)antimony(III)] docosaiodohexaantimony(III)","Acta Crystallographica Section C","2006","62","7","m323","m326","10.1107/S010827010601910X","","","0.71073","MoKα","","0.0907","0.0433","","","0.0693","0.0742","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015434","19.3785","0.0015","5.9918","0.0005","20.0293","0.0015","90","","117.813","0.001","90","","2057","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil‒thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.78 H8.34 F1.22 N4 O4 -","- C8.781 H8.34 F1.219 N4 O4 -","- C70.248 H66.72 F9.752 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0407","0.0369","","","0.093","0.0955","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015435","19.856","0.011","5.946","0.003","20.073","0.011","90","","117.66","0.008","90","","2099","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.77 H8.3 F1.23 N4 O4 -","- C8.766 H8.304 F1.234 N4 O4 -","- C70.128 H66.432 F9.872 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0802","0.0564","","","0.1264","0.1378","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015436","19.235","0.003","5.9683","0.0008","20.042","0.003","90","","118.216","0.002","90","","2027.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-fluorouracil, thymine","5-fluoropyrimidine-2,4(1H,3H)-dione‒5-methylpyrimidine-2,4(1H,3H)-dione","","- C8.58 H7.74 F1.42 N4 O4 -","- C8.579 H7.734 F1.421 N4 O4 -","- C68.632 H61.872 F11.368 N32 O32 -","8","1","GG3013","Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil and thymine form a crystalline solid solution","Acta Crystallographica Section C","2006","62","7","o412","o415","10.1107/S0108270106019688","","","0.71073","MoKα","","0.0462","0.0415","","","0.1071","0.11","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015437","8.2049","0.0005","11.9741","0.0008","17.9611","0.0012","90","","90","","90","","1764.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","","- C12 H28 B K O6 -","- C12 H28 B K O6 -","- C48 H112 B4 K4 O24 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0447","0.0346","","","0.0794","0.0832","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015438","9.5611","0.0004","9.9657","0.0005","26.2779","0.0015","90","","90","","90","","2503.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca- 2,11-diene-κ^6^<i>O</i>)(tetrahydrofuran)potassium","","- C24 H36 B K O7 -","- C24 H36 B K O7 -","- C96 H144 B4 K4 O28 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0652","0.0475","","","0.1209","0.1289","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015439","36.2171","0.0001","36.2171","0.0001","7.6695","0.0001","90","","90","","120","","8712.14","0.12","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)thiazole-2(3H)-thione","","- C20 H18 Cl N O S2 -","- C20 H18 Cl N O S2 -","- C360 H324 Cl18 N18 O18 S36 -","18","3","HJ1090","Hartung, Jens; Schwarz, Michaela; Paulus, Erich F.; Svoboda, Ingrid; Fuess, Hartmut","4-(4-Chlorophenyl)-3-(4-phenylpent-4-enyloxy)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2006","62","7","o386","o388","10.1107/S0108270106004677","","","0.71073","MoKα","","0.0625","0.0487","","","0.0872","0.0964","","","","","","1.296","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015440","16.9205","0.0011","10.7034","0.0006","7.2308","0.0005","90","","99.518","0.005","90","","1291.52","0.14","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 4-nitratocyclohexa-2,4-dienone monohydrate","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0662","0.0402","","","0.0975","0.1068","","","","","","0.928","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015441","23.561","0.004","23.561","0.004","5.7823","0.0008","90","","90","","120","","2779.8","0.8","296","","296","","","","","","","","","4","R 3 :H","R 3","146","","(R,E)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C99 H135 N9 O18 -","9","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0644","0.0354","","","0.0826","0.0925","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015442","9.7424","0.0008","10.6073","0.0008","14.482","0.0011","102.592","0.006","104.459","0.006","105.84","0.006","1326.7","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}- 2-ethoxyphenolate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","2","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0796","0.0389","","","0.0842","0.0952","","","","","","0.883","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015443","20.725","0.006","9.727","0.003","25.306","0.007","90","","96.095","0.004","90","","5073","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)- 1,3-dicyclohexylurea","","- C28 H30 Br N3 O4 -","- C28 H30 Br N3 O4 -","- C224 H240 Br8 N24 O32 -","8","1","HJ3008","Li Wu; Hui-Min Liu; Wen-Tao Zhao; Wen-Qin Zhang","1-(1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracen-2-ylcarbonyl)-1,3-dicyclohexylurea","Acta Crystallographica Section C","2006","62","7","o435","o437","10.1107/S0108270106016520","","","0.71073","MoKα","","0.0797","0.0424","","","0.0933","0.1076","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015444","8.9489","0.0005","11.023","0.0008","11.2885","0.0007","111.427","0.002","98.281","0.001","108.834","0.001","936.71","0.11","295","2","","","","","","","","","","4","P -1","-P 1","2","","(1SR,2SR,3SR,4RS,5RS,6RS,7SR,8RS)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","","- C16 H20 Cl2 O8 -","- C16 H20 Cl2 O8 -","- C32 H40 Cl4 O16 -","2","1","HJ3010","Şahin, Ertan; Kelebekli, Latif; Kara, Yunus; Balci, Metin","(1<i>SR</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,6<i>RS</i>,7<i>SR</i>,8<i>RS</i>)-7,8-Dichlorobicyclo[4.2.0]octa-2,3,4,5-tetrayl tetraacetate","Acta Crystallographica Section C","2006","62","7","o432","o434","10.1107/S0108270106018336","","","0.71073","MoKα","","","0.076","","","","0.1896","","","","","","1.321","","","","has coordinates,has Fobs","208159","2020-10-21","18:00:00",""
"2015445","11.8887","0.0006","12.8303","0.0006","10.2464","0.0004","90","","90","","90","","1562.94","0.12","293","2","293","2","","","","","","","","3","A m a 2","A 2 -2a","40","","dirubidium heptaoxodimolybdate","","- Mo2 O7 Rb2 -","- Mo2 O7 Rb2 -","- Mo16 O56 Rb16 -","8","1","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.0183","0.0178","","","0.0493","0.0494","","","","","","1.152","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015446","15.558","0.0005","15.1794","0.0005","7.2252","0.0002","90","","90.0059","0.0011","90","","1706.31","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dicaesium heptaoxodimolybdate","","- Cs2 Mo2 O7 -","- Cs2 Mo2 O7 -","- Cs16 Mo16 O56 -","8","2","IZ3004","Solodovnikova, Zoya A.; Solodovnikov, Sergey F.","Rubidium dimolybdate, Rb~2~Mo~2~O~7~, and caesium dimolybdate, Cs~2~Mo~2~O~7~","Acta Crystallographica Section C","2006","62","7","i53","i56","10.1107/S0108270106014880","","","0.71073","MoKα","","0.033","0.0282","","","0.0561","0.0582","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015447","9.1608","0.0008","7.9863","0.0007","9.459","0.0008","90","","113.908","0.0012","90","","632.65","0.09","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicalcium zinc cobalt digermanate","","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca2 Co0.03 Ge2 O7 Zn0.97 -","- Ca8 Co0.12 Ge8 O28 Zn3.88 -","4","1","IZ3005","Redhammer, Günther J.; Roth, Georg.","Commensurate monoclinic form of Ca~2~Zn~0.97~Co~0.03~Ge~2~O~7~","Acta Crystallographica Section C","2006","62","7","i61","i63","10.1107/S0108270106016180","","","0.71073","MoKα","","","0.0218","","","","0.053","","","","","","1.07","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2015448","9.7859","0.0007","9.7859","0.0007","20.3813","0.0014","90","","90","","120","","1690.3","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","7-Deaza-2,8-diazaadenosine","4-amino-7-(β-D-ribofuranosyl)-7H-pyrazolo[3,4-d][1,2,3]triazine","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","JZ3014","Lin, Wen-Qing; Ming, Xin; Eickmeier, Henning; Seela, Frank","7-Deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2006","62","7","o379","o381","10.1107/S010827010601818X","","","0.71073","MoKα","","0.0546","0.0443","","","0.1185","0.1253","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015449","5.1845","0.0012","9.719","0.002","10.041","0.002","95.305","0.005","98.541","0.005","101.663","0.005","486.07","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","1","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.0616","0.0464","","","0.1196","0.127","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015450","19.688","0.002","5.0178","0.0006","10.1344","0.0011","90","","97.762","0.002","90","","992.01","0.19","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenethylterephthalamide","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","0.5","LN3008","Ossowski, Jerzy; Kuś, Piotr; Näther, Christian; Jones, Peter G.","Two polymorphs of <i>N</i>,<i>N</i>'-diphenethylterephthalamide","Acta Crystallographica Section C","2006","62","7","o369","o371","10.1107/S0108270106017422","","","0.71073","MoKα","","0.1158","0.0528","","","0.1171","0.1341","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015451","17.1397","0.0005","6.85","0.0002","16.1142","0.0005","90","","103.021","0.002","90","","1843.27","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","","- C10 H10 Cl4 N8 S2 Zn -","- C10 H10 Cl4 N8 S2 Zn -","- C40 H40 Cl16 N32 S8 Zn4 -","4","1","OB3005","Valkonen, Arto; Ahonen, Kari; Kolehmainen, Erkki","Bis(6-thioxo-1,6-dihydropurinium) tetrachlorozincate(II)","Acta Crystallographica Section C","2006","62","7","m290","m292","10.1107/S0108270106019469","","","0.71073","MoKα","","0.0719","0.0464","","","0.0758","0.0836","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015453","8.1697","0.0002","13.2052","0.0003","14.9286","0.0004","90","","90","","90","","1610.54","0.07","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C24 H60 Cl12 K4 O16 P4 Pt4 S4 -","4","1","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.111","0.0372","","","0.0553","0.0654","","","","","","0.868","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015454","14.2518","0.0003","16.6754","0.0003","20.8743","0.0003","90","","90","","90","","4960.87","0.15","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C72 H180 Cl36 K12 O48 P12 Pt12 S12 -","12","3","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.1899","0.0496","","","0.0547","0.0674","","","","","","0.853","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015455","6.3684","0.0001","11.6102","0.0001","22.743","0.0002","90","","90","","90","","1681.58","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-3,11-Dioxo-5α-androstanecarboxylic acid","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SK3023","Kikolski, Elizabeth M.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3,11-Dioxo-5α-androstanecarboxylic acid: catemeric hydrogen bonding in a steroidal diketo acid","Acta Crystallographica Section C","2006","62","7","o397","o398","10.1107/S0108270106017677","","","1.54178","CuKα","","0.04","0.035","","","0.082","0.085","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015456","9.1114","0.0004","22.6016","0.001","7.5004","0.0003","90","","111.971","0.003","90","","1432.4","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1,3-bis(bromomethyl)benzene","","- C8 H7 Br3 -","- C8 H7 Br3 -","- C48 H42 Br18 -","6","1.5","SK3024","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","2-Bromo-1,3-bis(bromomethyl)benzene, with <i>Z</i>' = 1.5: whole-molecule disorder of one of the two independent molecules","Acta Crystallographica Section C","2006","62","7","o376","o378","10.1107/S0108270106017707","","","0.71073","MoKα","","0.1093","0.0839","","","0.2286","0.2534","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015457","11.1848","0.0004","7.7651","0.0004","12.3611","0.0005","90","","107.417","0.003","90","","1024.35","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.0567","0.0369","","","0.0927","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015458","4.9173","0.0002","19.8906","0.001","10.4976","0.0006","90","","92.929","0.003","90","","1025.41","0.09","298","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-fluorobenzylidene)-2-thioxothaolidin-2-one","","- C10 H6 F N O S2 -","- C10 H6 F N O S2 -","- C40 H24 F4 N4 O4 S8 -","4","1","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1524","0.0822","","","0.0936","0.1098","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015459","10.3432","0.0004","10.9105","0.0004","13.4621","0.0004","100.399","0.002","91.572","0.002","110.301","0.002","1394.73","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(3,4,5-Trimethoxybenzylidene)-2-thioxothaolidin-2-one","","- C13 H13 N O4 S2 -","- C13 H13 N O4 S2 -","- C52 H52 N4 O16 S8 -","4","2","SK3027","Delgado, Paula; Quiroga, Jairo; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>Z</i>)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic π‒π stacking interactions or by dipolar carbonyl‒carbonyl interactions","Acta Crystallographica Section C","2006","62","7","o382","o385","10.1107/S0108270106018038","","","0.71073","MoKα","","0.1354","0.0632","","","0.0981","0.1187","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015460","12.168","0.0002","18.6695","0.0004","9.0443","0.0002","90","","100.03","0.002","90","","2023.2","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-Iodo-N,N-bis(2-nitrophenylsulfonyl)aniline","4-iodophenylimino bis(2-nitrobenzenesulfinate)","","- C18 H12 I N3 O8 S2 -","- C18 H12 I N3 O8 S2 -","- C72 H48 I4 N12 O32 S8 -","4","1","SK3028","Low, John N.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","4-Iodo-<i>N</i>,<i>N</i>-bis(2-nitrophenylsulfonyl)aniline: a three-dimensional framework structure built from six independent C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","7","o423","o425","10.1107/S0108270106019408","","","0.71073","MoKα","","0.0387","0.0286","","","0.0629","0.0667","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015461","9.2957","0.0004","27.5905","0.0013","11.0084","0.0005","90","","93.83","0.002","90","","2817.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline","","- C13 H8 I N3 O5 -","- C13 H8 I N3 O5 -","- C104 H64 I8 N24 O40 -","8","2","SK3030","Low, John N.; Skakle, Janet M. S.; Garden, Simon J.; Wardell, James L.; Glidewell, Christopher","<i>N</i>-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline: conformational isomers linked into complex sheets by five C—H···O hydrogen bonds and a two-centre iodo‒nitro interaction","Acta Crystallographica Section C","2006","62","7","o441","o443","10.1107/S0108270106020373","","","0.71073","MoKα","","0.1619","0.05","","","0.0716","0.0925","","","","","","0.874","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015462","8.6765","0.0007","9.0833","0.0006","11.2901","0.0009","73.87","0.005","82.182","0.004","65.147","0.003","775.41","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C30 H42 N6 O8 -","2","1","SK3031","Low, John N.; Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Glidewell, Christopher","2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2006","62","7","o444","o446","10.1107/S0108270106020634","","","0.71073","MoKα","","0.1382","0.0635","","","0.1415","0.1731","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015463","10.641","0.006","7.292","0.004","19.943","0.011","90","","90.001","0.012","90","","1547.5","1.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-adamantylgermatrane","1-adamantyl-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane","","- C16 H27 Ge N O3 -","- C16 H27 Ge N O3 -","- C64 H108 Ge4 N4 O12 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.051","0.0376","","","0.0969","0.1077","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015464","9.4398","0.0013","16.69","0.002","10.3361","0.0016","90","","97.74","0.003","90","","1613.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(germatran-1-yl)methyl] N-cyclohexylcarbamate","(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-yl)methyl N-cyclohexylcarbamate","","- C14 H26 Ge N2 O5 -","- C14 H26 Ge N2 O5 -","- C56 H104 Ge4 N8 O20 -","4","1","SQ3019","Korlyukov, Alexander A.; Komissarov, Eugene A.; Alekseev, Nikolay V.; Pavlov, Konstantin V.; Krivolapova, Olga V.; Lachtin, Valentin G.","Two germatranes with bulky substituents","Acta Crystallographica Section C","2006","62","7","m303","m305","10.1107/S0108270106019317","","","0.71073","MoKα","","0.0751","0.0472","","","0.1009","0.1079","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015465","11.1308","0.0006","10.4656","0.0005","13.6747","0.0007","90","","115.152","0.004","90","","1441.93","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyloxime)-κ^2^N^2^,N^6^]copper(II)","","- C11 H15 Cl2 Cu N3 O2 -","- C11 H15 Cl2 Cu N3 O2 -","- C44 H60 Cl8 Cu4 N12 O8 -","4","1","SQ3022","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]copper(II)","Acta Crystallographica Section C","2006","62","7","m315","m318","10.1107/S010827010601969X","","","0.71073","MoKα","","0.0356","0.0308","","","0.0842","0.0867","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015466","12.2053","0.0011","12.3053","0.0011","18.3182","0.0017","80.629","0.006","72.455","0.006","89.961","0.006","2584.8","0.4","173","2","","","","","","","","","","5","P -1","-P 1","2","","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","","- C16 H32 I4 N2 Pb -","- C16 H32 I4 N2 Pb -","- C64 H128 I16 N8 Pb4 -","4","2","TR3004","Billing, David G.; Lemmerer, Andreas","Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]","Acta Crystallographica Section C","2006","62","7","m269","m271","10.1107/S0108270106013953","","","0.71073","MoKα","","","0.0345","","","","0.0928","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015467","9.72","0.008","10.654","0.011","16.127","0.014","90","","90","","90","","1670","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzoyl-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","AV3012","Jonsson, K. Hanna M.; Eriksson, Lars; Widmalm, Göran","Methyl 4-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section C","2006","62","8","o447","o449","10.1107/S0108270106021603","","","1.35","synchrotron","","0.0354","0.0329","","","0.0837","0.0875","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015468","14.8167","0.0018","8.8509","0.0011","10.3631","0.0014","90","","94.9","0.01","90","","1354.1","0.3","292","3","292","3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tricobalt(II) tellurium(VI) hexaoxide","","- Co3 O6 Te -","- Co3 O6 Te -","- Co36 O72 Te12 -","12","1.5","BC3008","Becker, Richard; Johnsson, Mats; Berger, Helmuth","A new synthetic cobalt tellurate: Co~3~TeO~6~","Acta Crystallographica, Section C","2006","62","8","i53","i55","10.1107/S010827010602347X","","","0.71073","MoKα","","0.0327","0.0306","","","0.086","0.0882","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015469","10.9253","0.0002","15.6992","0.0003","8.3683","0.0002","90","","109.066","0.0011","90","","1356.58","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(2,2'-bipyridine-κ^2^N,N')(μ~2~-hydrogen phosphato)(μ~2~-dihydrogen phosphato)aluminium(III)]","","- C10 H11 Al N2 O8 P2 -","- C10 H11 Al N2 O8 P2 -","- C40 H44 Al4 N8 O32 P8 -","4","1","BG3011","Chippindale, Ann M.","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~2~-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-hydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')aluminium(III)], Al(2,2'-bipy)(HPO~4~)(H~2~PO~4~), a layered inorganic‒organic hybrid material","Acta Crystallographica Section C","2006","62","8","m372","m374","10.1107/S0108270106024309","","","0.71073","MoKα","","0.0611","0.038","","0.0525","0.0414","0.0414","","","","","","1.1172","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015470","15.3025","0.0005","15.3025","0.0005","38.2467","0.0017","90","","90","","120","","7756.2","0.5","193","2","193","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","hexakis[tris(ethylenediamine-κ^2^N,N')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate, [Ni(C~2~H~8~N~2~)~3~]~6~[Cu~2~(CN)~7~]~2~[Cu(CN)~3~].9H~2~O","","- C53 H162 Cu5 N53 Ni6 O9 -","- C53 H162 Cu5 N53 Ni6 O9 -","- C159 H486 Cu15 N159 Ni18 O27 -","3","0.166667","DN3005","Juraj Kuchár; Juraj Černák; Werner Massa","Hexakis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate","Acta Crystallographica Section C","2006","62","8","m337","m339","10.1107/S0108270106015769","","","0.71073","MoKα","","0.0617","0.0362","","","0.075","0.0827","","","","","","0.893","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015471","10.119","0.002","11.212","0.002","19.17","0.004","90","","105.26","0.03","90","","2098.2","0.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamide]nickelate(II) monohydrate","","- C12 H28 N12 Ni2 O5 -","- C12 H28 N12 Ni2 O5 -","- C48 H112 N48 Ni8 O20 -","4","0.5","DN3007","Andrey I. Buvaylo; Nikolay M. Dudarenko; Igor O. Fritsky; Jolanta Świątek-Kozłowska","Tris(ethylenediamine)nickel(II) bis[2-cyano-2-(oxidoimino)acetamidato]nickelate(II) monohydrate","Acta Crystallographica Section C","2006","62","8","m331","m333","10.1107/S0108270106022323","","","0.71073","MoKα","","0.0378","0.0335","","","0.0791","0.082","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015472","12.2857","0.0001","12.2857","0.0001","26.1898","0.0002","90","","90","","90","","3953.05","0.05","100","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-[(3R)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1S,2R)-bornane-10,2-sultam 0.15-hydrate","","- C18 H26.302 N4 O5.151 S -","- C18 H26.302 N4 O5.151 S -","- C144 H210.416 N32 O41.208 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0296","","","","0.0773","","","","","","1.027","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2015473","12.2794","0.0002","12.2794","0.0002","26.3417","0.0005","90","","90","","90","","3971.9","0.12","100","","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","N-[(3S)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]- (1R,2S)-bornane-10,2-sultam 0.35-hydrate","","- C18 H26.697 N4 O5.3485 S -","- C18 H26.697 N4 O5.3485 S -","- C144 H213.576 N32 O42.788 S8 -","8","1","DN3017","Elemes, Yiannis; Muir, Kenneth W.","Hydrated forms of <i>N</i>-[(3<i>R</i>)-3-(4-methyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-methylenebutanoyl]-(1<i>S</i>,2<i>R</i>)-bornane-10,2-sultam and its enantiomer","Acta Crystallographica Section C","2006","62","8","o458","o460","10.1107/S0108270106019524","","","0.71073","MoKα","","","0.0377","","","","0.0935","","","","","","0.977","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2015474","29.149","0.004","5.139","0.004","14.498","0.004","90","","110.9","0.02","90","","2028.9","1.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-chloroacetyl-6-aminohexanoic acid","6-(2-Chloroacetamido)hexanoic acid","","- C8 H14 Cl N O3 -","- C8 H14 Cl N O3 -","- C64 H112 Cl8 N8 O24 -","8","2","DN3018","Gastone, Carolina; Puiggalí, Jordi; Font-Bardia, Mercè; Urpí, Lourdes","6-(2-Chloroacetamido)hexanoic acid","Acta Crystallographica Section C","2006","62","8","o498","o500","10.1107/S0108270106022827","","","0.71073","MoKα","","0.0896","0.0483","","","0.1167","0.1323","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015475","8.121","0.003","9.299","0.004","12.532","0.005","90","","91.21","0.02","90","","946.2","0.7","9","2","9","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate","","- C15 H26.26 N3 O7.63 -","- C15 H26.256 N3 O7.628 -","- C30 H52.512 N6 O15.256 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.5","synchrotron","","0.0249","0.0244","","","0.0673","0.0675","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015476","8.845","0.002","9.057","0.002","12.364","0.003","90","","94.56","0.03","90","","987.3","0.4","20","2","20","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","L-alanyl-L-tyrosyl-L-alanine ethanol solvate","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","FA3016","Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice","Acta Crystallographica Section C","2006","62","8","o454","o457","10.1107/S0108270106018750","","","0.71073","MoKα","","0.0297","0.029","","","0.0769","0.0773","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015477","6.7404","0.0014","13.298","0.003","20.954","0.004","90","","90.331","0.003","90","","1878.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dimethyl sulfoxide solvate","","- C17 H17 Cl2 N3 O Pt S -","- C17 H17 Cl2 N3 O Pt S -","- C68 H68 Cl8 N12 O4 Pt4 S4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0486","0.0321","","","0.0637","0.0676","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015478","6.9085","0.0006","17.0822","0.0015","13.8402","0.0012","90","","98.586","0.002","90","","1615","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloro(2,2':6',2''-terpyridine)platinum(II) chloride dihydrate","","- C15 H15 Cl2 N3 O2 Pt -","- C15 H15 Cl2 N3 O2 Pt -","- C60 H60 Cl8 N12 O8 Pt4 -","4","1","FG3017","Angle, Christina S.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Linda H. Doerrer","Red and yellow solvates of chloro(2,2':6',2''-terpyridine)platinum(II) chloride and Pt···Pt interactions","Acta Crystallographica Section C","2006","62","8","m340","m342","10.1107/S010827010601924X","","","0.71073","MoKα","","0.0549","0.0454","","","0.1273","0.1332","","","","","","1.01","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2015479","7.8683","0.0004","19.4979","0.0012","9.1273","0.0005","90","","98.968","0.003","90","","1383.15","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","FG3021","Janet M. S. Skakle; James L. Wardell; Solange M. S. V. Wardell","1-(Isopropylideneamino)guanidinium 2-nitrobenzoate: formation of corrugated sheets from <i>R</i>~2~^2^(8) and <i>R</i>~6~^4^(16) rings","Acta Crystallographica Section C","2006","62","8","o476","o477","10.1107/S0108270106020580","","","0.71073","MoKα","","0.0985","0.0576","","","0.1186","0.1328","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015480","10.375","0.001","10.532","0.001","10.893","0.001","90","","103.61","0.001","90","","1156.85","0.19","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-[Aqua-chloro-(1R,4R,8S,11S-trans-6,13-diazonium-6,13-dimethyl- 1,4,8,11-tetraazacyclortetradecane-κ^4^ N^1,4,8,11^)nickel(II)] trichloride trihydrate","","- C12 H40 Cl4 N6 Ni O4 -","- C12 H40 Cl4 N6 Ni O4 -","- C24 H80 Cl8 N12 Ni2 O8 -","2","1","GA3002","Neil F. Curtis; Rebekah Pawley; Ward T. Robinson","<i>trans</i>-Aquachloro[(1<i>R</i>,4<i>R</i>,8<i>S</i>,11<i>S</i>)-6,13-diammonio-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1,4,8,11^]nickel(II) trichloride trihydrate","Acta Crystallographica Section C","2006","62","8","m352","m354","10.1107/S0108270106010407","","","0.71073","MoKα","","0.0167","0.0164","","","0.0392","0.0395","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015481","15.6582","0.0007","10.638","0.0006","11.1041","0.0005","90","","98.238","0.004","90","","1830.55","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-[(E)-o-tolyldiazenyl]cyclohexa-2,4-dienone","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","GA3007","Ersanlı, Cem Cüneyt; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy-4-[(<i>E</i>)-<i>o</i>-tolyldiazenyl]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2006","62","8","o483","o485","10.1107/S010827010602052X","","","0.71073","MoKα","","0.06","0.035","","","0.082","0.089","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015482","8.8863","0.0004","22.3787","0.001","16.1281","0.0007","90","","106.47","0.001","90","","3075.7","0.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu~2~(pht)~2~(im)~2~(H~2~O)].H~2~O","Poly[[aquatetraimidazoledi-μ~2~-phthalato-dicopper(II)] monohydrate]","","- C28 H28 Cu2 N8 O10 -","- C28 H28 Cu2 N8 O10 -","- C112 H112 Cu8 N32 O40 -","4","1","GA3009","Xu-Cheng Fu; Xiao-Yan Wang; Ming-Tian Li; Cheng-Gang Wang; Xiao-Tao Deng","Poly[[aquatetraimidazoledi-μ-phthalato-dicopper(II)] monohydrate]","Acta Crystallographica Section C","2006","62","8","m343","m345","10.1107/S0108270106019068","","","0.71073","MoKα","","0.0529","0.0405","","","0.0919","0.096","","","","","","0.95","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015483","16.858","0.002","7.449","0.002","23.312","0.007","90","","94.39","0.015","90","","2918.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C120 H120 N24 O8 S8 -","8","1","GA3010","E. B. Seena; E. Manoj; M. R. Prathapachandra Kurup","2-Hydroxyacetophenone 4-phenylthiosemicarbazone","Acta Crystallographica Section C","2006","62","8","o486","o488","10.1107/S0108270106014776","","","0.71073","MoKα","","0.0471","0.0331","","","0.089","0.0947","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015484","7.352","0.002","4.0181","0.0011","13.901","0.004","90","","101.426","0.01","90","","402.51","0.19","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C12 H8 S8 -","2","0.5","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0346","0.0276","","","0.0603","0.0653","","","","","","1.124","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015485","14.641","0.003","3.933","0.001","13.832","0.003","90","","100.98","0.01","90","","781.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-1,3-dithiole","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0333","0.0247","","","0.0598","0.0664","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015486","14.625","0.003","3.909","0.001","13.812","0.003","90","","100.9","0.01","90","","775.4","0.3","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene","2,2'-bis(1,3-dithiole), low-temparature (γ) phase","","- C6 H4 S4 -","- C6 H4 S4 -","- C24 H16 S16 -","4","1","GA3012","Batsanov, Andrei S.","Tetrathiafulvalene revisited","Acta Crystallographica Section C","2006","62","8","o501","o504","10.1107/S0108270106022554","","","0.71073","MoKα","","0.0266","0.0217","","","0.0554","0.0595","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015487","43.062","0.009","6.877","0.002","11.979","0.002","90","","101.06","0.02","90","","3481.5","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","AZO33","3,3'-[4-(4-nitrophenyldiazenyl)phenylimino]dipropionic acid","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C144 H144 N32 O48 -","8","1","GD3032","Roberto Centore; Antonio Carella; Andrea Pugliese; Augusto Sirigu; Angela Tuzi","Double-helix pattern in a model compound of non-linear optical polymers","Acta Crystallographica Section C","2006","62","8","o531","o533","10.1107/S0108270106025108","","","0.71073","MoKα","","0.1996","0.0699","","","0.1254","0.1676","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015488","3.553","0.0016","9.693","0.004","16.345","0.007","90","","95.748","0.006","90","","560.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanine","2-amino-1,7-dihydro-6H-purin-6-one","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","GD3036","Guille, Kathy; Clegg, William","Anhydrous guanine: a synchrotron study","Acta Crystallographica Section C","2006","62","8","o515","o517","10.1107/S0108270106026011","","","0.6712","synchrotron","","0.0753","0.0587","","","0.1713","0.1831","","","","","","1.147","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015489","11.8539","0.0018","12.2726","0.0018","19.498","0.003","90","","90","","90","","2836.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate methanol solvate","","- C31 H34 N4 O11 -","- C31 H34 N4 O11 -","- C124 H136 N16 O44 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0704","0.0528","","","0.0884","0.0941","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015490","7.1733","0.0018","19.1","0.002","21.955","0.002","90","","90","","90","","3008.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinim 3,5-dintrobenzoate dimethanol solvate","","- C32 H38 N4 O12 -","- C32 H38 N4 O12 -","- C128 H152 N16 O48 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0547","0.0474","","","0.1193","0.1235","","","","","","1.095","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015491","8.2499","0.0008","12.5379","0.0012","29.109","0.003","90","","90","","90","","3010.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate trihydrate","","- C30 H36 N4 O13 -","- C30 H36 N4 O13 -","- C120 H144 N16 O52 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0747","0.0566","","","0.1166","0.1266","","","","","","1.119","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015492","7.2397","0.0004","7.8151","0.0005","10.9548","0.0005","86.68","0.005","80.485","0.004","78.542","0.004","598.9","0.06","173","","173","","","","","","","","","3","P -1","-P 1","2","","1,4-bis(triisopropylsilyl)buta-1,3-diyne","","- C22 H42 Si2 -","- C22 H42 Si2 -","- C22 H42 Si2 -","1","0.5","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0856","0.0495","","0.0738","0.0537","0.0537","","","","","","1.0865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015493","6.6723","0.0002","11.032","0.0003","26.0094","0.0007","90","","91.2833","0.0014","90","","1914.04","0.09","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-bis(biphenyl-4-yl)buta-1,3-diyne","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","GG3022","Constable, Edwin C.; Gusmeroli, Deborah; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","1,4-Bis(triisopropylsilyl)buta-1,3-diyne and 1,4-bis(biphenyl-4-yl)buta-1,3-diyne","Acta Crystallographica Section C","2006","62","8","o505","o509","10.1107/S0108270106025157","","","0.71073","MoKα","","0.0895","0.0398","","0.0576","0.0474","0.0474","","","","","","0.9925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015494","15.2964","0.0003","17.4366","0.0002","16.832","0.0003","90","","90","","90","","4489.38","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione","","- C27 H23 Cl N2 O2 -","- C27 H23 Cl N2 O2 -","- C216 H184 Cl8 N16 O16 -","8","1","GG3030","Trilleras, Jorge; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o518","o520","10.1107/S0108270106025583","","","0.71073","MoKα","","0.0972","0.0488","","","0.1129","0.1361","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015495","12.8995","0.0006","6.8681","0.0003","26.6419","0.0013","90","","90","","90","","2360.34","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2005rm01ch01","β-Lapachone","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","GZ3007","Cunha-Filho, Marcilio S. S; Landin, Mariana; Martinez-Pacheco, Ramon; Dacunha-Marinho, Bruno","β-Lapachone","Acta Crystallographica Section C","2006","62","8","o473","o475","10.1107/S0108270106021706","","","1.5418","CuKα","","0.0619","0.061","","","0.1691","0.1703","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015496","10.3497","0.0014","10.9934","0.0015","15.751","0.002","95.65","0.006","95.734","0.006","111.408","0.005","1642.4","0.4","294","2","","","","","","","","","","6","P -1","-P 1","2","","Bis(aminodiethylammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","","- C8 H40 Mo5 N6 O27 P2 -","- C8 H40 Mo5 N6 O27 P2 -","- C16 H80 Mo10 N12 O54 P4 -","2","1","GZ3012","Feng Geng; Guo-Hua Han; Bi-Zhou Lin","Bis(iminodiethylenediammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate","Acta Crystallographica Section C","2006","62","8","m355","m357","10.1107/S0108270106023092","","","0.71069","MoKα","","0.0361","0.0346","","","0.0902","0.0917","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015497","17.1216","0.0012","7.3269","0.0005","14.3494","0.001","90","","113.259","0.001","90","","1653.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-methylthio-8-azaxanthine","5-Methylsulfanyl-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(8H)-one monohydrate","","- C5 H7 N5 O2 S -","- C5 H7 N5 O2 S -","- C40 H56 N40 O16 S8 -","8","1","HJ3007","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","5-Methylsulfanyl-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one (2-methylthio-8-azaxanthine) monohydrate","Acta Crystallographica Section C","2006","62","8","o489","o491","10.1107/S0108270106022359","","","0.71073","MoKα","","0.061","0.059","","","0.125","0.126","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015498","8.1427","0.0005","18.3212","0.0014","27.303","0.003","90","","90","","90","","4073.2","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-chloro-bis[chloro(η^6^-p-cymene)ruthenium]‒9H-carbazole (1/2)","","- C44 H46 Cl4 N2 Ru2 -","- C44 H46 Cl4 N2 Ru2 -","- C176 H184 Cl16 N8 Ru8 -","4","0.5","HJ3009","Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Çetinkaya, Bekir; Büyükgüngör, Orhan","A μ-chloro-bridged dinuclear ruthenium complex with 9<i>H</i>-carbazole: the formation of one-dimensional linear chains of star-shaped edge-fused rings","Acta Crystallographica Section C","2006","62","8","m346","m348","10.1107/S0108270106020543","","","0.71073","MoKα","","0.0551","0.0314","","","0.0679","0.0725","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015499","9.8232","0.0007","10.3192","0.0007","11.1465","0.0008","76.431","0.005","86.74","0.006","70.527","0.005","1035.25","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Propynylferrocene","","- C13 H12 Fe -","- C13 H12 Fe -","- C52 H48 Fe4 -","4","2","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0308","0.0267","","","0.0718","0.0739","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015500","8.7368","0.0009","10.6296","0.0015","15.1113","0.0016","90","","105.327","0.008","90","","1353.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Phenylethynyl)ferrocene","","- C18 H14 Fe -","- C18 H14 Fe -","- C72 H56 Fe4 -","4","1","HJ3011","Zora, Metin; Açıkgöz, Canet; Tumay, Tülay Aslı; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Propynylferrocene and (phenylethynyl)ferrocene","Acta Crystallographica Section C","2006","62","8","m327","m330","10.1107/S0108270106022438","","","0.71073","MoKα","","0.0512","0.0291","","","0.0643","0.0694","","","","","","0.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015501","9.964","0.002","11.565","0.002","19.882","0.004","90","","90","","90","","2291.1","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1- phenylpropylammonium chloride","","- C25 H30 Cl N O -","- C25 H30 Cl N O -","- C100 H120 Cl4 N4 O4 -","4","1","HJ3012","Guang-You Zhang; Wan-Hui Wang; Jin-Yan Zhao; Xiang-Bo Wang","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1-phenylpropylammonium chloride","Acta Crystallographica Section C","2006","62","8","o534","o536","10.1107/S0108270106024802","","","0.71073","MoKα","","0.09","0.0545","","","0.0913","0.1014","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015502","6.428","0.0002","16.085","0.0007","12.15","0.0006","90","","97.49","0.0016","90","","1245.52","0.09","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2,4-Dinitrophenylsulfanyl)morpholine","","- C10 H11 N3 O5 S -","- C10 H11 N3 O5 S -","- C40 H44 N12 O20 S4 -","4","1","HJ3013","Brito, Iván; López-Rodríguez, Matías; Cárdenas, Alejandro; Vargas, Danitza","4-(2,4-Dinitrophenylsulfanyl)morpholine","Acta Crystallographica Section C","2006","62","8","o461","o463","10.1107/S0108270106021524","","","0.71073","MoKα","","","0.0692","","","","0.2058","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015503","8.2448","0.0004","10.1118","0.0005","20.199","0.0009","82.419","0.003","83.897","0.003","68.916","0.002","1554.36","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ~2~-diisopropylamido-di-μ~2~-hydrido-dimagnesium(II)disodium(I)","","- C24 H58 Mg2 N4 Na2 -","- C24 H58 Mg2 N4 Na2 -","- C48 H116 Mg4 N8 Na4 -","2","1","HJ3015","David V. Graham; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara","A polymeric solvent-free variant of a hydridomagnesium inverse crown","Acta Crystallographica Section C","2006","62","8","m366","m368","10.1107/S0108270106025091","","","0.71073","MoKα","","0.1503","0.0654","","","0.1112","0.1396","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015504","14.0426","0.0005","14.0426","0.0005","21.776","0.001","90","","90","","120","","3718.8","0.3","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","lanthanum iron sulfide","lanthanum(III) iron(II) sulfide","","- Fe12 La52 S90 -","- Fe12 La52.0506 S90 -","- Fe12 La52.0506 S90 -","1","0.0277778","IZ1068","Mills, Allison M.; Bräunling, Daniel; Ruck, Michael","Redetermination of the lanthanum iron sulfide La~52~Fe~12~S~90~","Acta Crystallographica, Section C","2006","62","8","i56","i58","10.1107/S0108270106014879","","","0.71073","MoKα","","0.0438","0.0429","","","0.1037","0.1042","","","","","","1.195","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015505","5.6705","0.0004","9.9954","0.0007","17.3234","0.0012","83.137","0.004","81.655","0.004","77.163","0.003","943.31","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Anilinium chloride‒N-phenyl-4-bromobenzenesulfonamide (1/1)","","- C18 H18 Br Cl N2 O2 S -","- C18 H18 Br Cl N2 O2 S -","- C36 H36 Br2 Cl2 N4 O4 S2 -","2","1","JZ3025","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","The anilinium chloride adduct of 4-bromo-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section C","2006","62","8","o470","o472","10.1107/S0108270106022104","","","0.71073","MoKα","","0.0512","0.0344","","","0.0823","0.0878","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015506","11.327","0.004","21.621","0.007","7.911","0.003","90","","128.941","0.006","90","","1506.9","0.9","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2,3,4,5,6-Pentanitroaniline 1,2-dichloroethane disolvate","","- C8 H6 Cl2 N6 O10 -","- C8 H6 Cl2 N6 O10 -","- C32 H24 Cl8 N24 O40 -","4","0.5","JZ3030","Rosokha, Sergiy V.; Lu, Jian-Jiang; Dibrov, Sergey M.; Kochi, Jay K.","2,3,4,5,6-Pentanitroaniline 1,2-dichloroethane disolvate: `push‒pull' deformation of aromatic rings by intramolecular charge transfer","Acta Crystallographica Section C","2006","62","8","o464","o466","10.1107/S0108270106020804","","","0.71073","MoKα","","0.0777","0.0527","","","0.1394","0.1478","","","","","","1.093","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015507","6.828","0.002","20.929","0.006","15.357","0.005","90","","92.007","0.005","90","","2193.2","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","Moxifloxacin hydrochloride","7-[(S,S)-8-azonia-2-azabicylo[4.3.0]non-8-yl]-1-cyclopropyl-6-fluoro-8-methoxy- 4-oxo-1,4-dihydro-3-quinoline-3-carboxylic acid chloride‒water‒methanol (2/1/1)","","- C21.5 H28 Cl F N3 O5 -","- C21.5 H28 Cl F N3 O5 -","- C86 H112 Cl4 F4 N12 O20 -","4","2","LN3009","Krishnan Ravikumar; Balasubramanian Sridhar","Moxifloxacinium chloride‒water‒methanol (2/1/1), a novel antibacterial agent","Acta Crystallographica Section C","2006","62","8","o478","o482","10.1107/S0108270106022256","","","0.71073","MoKα","","0.0832","0.0488","","","0.0905","0.1043","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015508","4.8859","0.0017","11.658","0.004","15.891","0.006","88.39","0.01","84.79","0.01","81.23","0.01","890.8","0.6","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","3,5-dichloro-4-cyanobenzoic acid","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","2","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.071","0.056","","","0.13","0.136","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015509","7.3429","0.0018","10.378","0.003","11.826","0.003","90","","112.22","0.01","90","","834.3","0.4","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-dichloro-4-cyano-benzoic acid","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C32 H12 Cl8 N4 O8 -","4","1","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.027","0.026","","","0.07","0.075","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015510","11.237","0.003","11.41","0.003","14.566","0.004","90","","112.5","0.01","90","","1725.4","0.8","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-dichloro-4-cyanobenzoicacid 0.25-hydrate","","- C8 H3.5 Cl2 N O2.25 -","- C8 H3.5 Cl2 N O2.25 -","- C64 H28 Cl16 N8 O18 -","8","2","LN3011","Britton, Doyle","3,5-Dichloro-4-cyanobenzoic acid: two polymorphs and the 0.25-hydrate, exhibiting two-dimensional ribbons and nets involving hydrogen-bonding and intermolecular Cl···N interactions","Acta Crystallographica Section C","2006","62","8","o510","o514","10.1107/S0108270106023754","","","0.71073","MoKα","","0.036","0.027","","","0.069","0.076","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015511","13.1756","0.0012","4.7279","0.0005","14.84","0.0014","90","","109.927","0.006","90","","869.08","0.15","296.1","","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,6,11,16-Tetraoxacycloeicosane-2,5,12,15-tetraone","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","0.5","LN3015","Noguchi, Keiichi; Kondo, Hidekazu; Ichikawa, Yasushi; Washiyama, Junichiro; Okuyama, Kenji","1,6,11,16-Tetraoxacycloeicosane-2,5,12,15-tetraone","Acta Crystallographica Section C","2006","62","8","o528","o530","10.1107/S0108270106024188","","","1.5418","CuKα","","0.0328","0.0318","","","0.0869","0.0878","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015512","7.5629","0.0005","15.2199","0.0009","17.6543","0.0011","69.621","0.001","83.145","0.001","77.76","0.001","1859.3","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone","5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxy-4H-chromene-4-one","","- C20 H20 O9 -","- C20 H20 O9 -","- C80 H80 O36 -","4","2","OB3008","G. Y. S. K. Swamy; K. Ravikumar; B. Sridhar; I. Mahender; K. V. N. S. Srinivas","Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(22) rings in 5,3'-dihydroxy-3,6,7,4',5'-pentamethoxyflavone","Acta Crystallographica Section C","2006","62","8","o495","o497","10.1107/S0108270106023675","","","0.71073","MoKα","","0.069","0.0494","","","0.1194","0.1306","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015513","11.901","0.002","13.855","0.003","21.936","0.004","90","","95.347","0.003","90","","3601.3","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","{4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^N,O)benzyl]-1,7-dioxa-4,10- diazacyclododecane-κ^4^N^4^,N^10^,O^1,O^7^}ytterbium(III) perchlorate acetonitrile solvate","","- C38 H41 Cl N5 O8 Yb -","- C38 H41 Cl N5 O8 Yb -","- C152 H164 Cl4 N20 O32 Yb4 -","4","1","OB3011","González-Lorenzo, Marina; De Blas, Andres; Esteban-Gómez, David; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa","{4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzyl]-1,7-dioxa-4,10-diazacyclododecane-κ^4^<i>O</i>^1^,<i>N</i>^4^,<i>O</i>^3^,<i>N</i>^10^}ytterbium(III) perchlorate acetonitrile solvate","Acta Crystallographica Section C","2006","62","8","m360","m362","10.1107/S0108270106023833","","","0.71073","MoKα","","","0.0201","","","","0.046","","","","","","1.085","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015514","16.112","0.003","10.442","0.002","17.058","0.003","90","","115.67","0.03","90","","2586.6","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3-aminopyridine-κN)(4,4-dimethyl-2,2'-bipyridine-κ^2^N,N')(perchlorato-κO)copper(II) perchlorate","","- C22 H24 Cl2 Cu N6 O8 -","- C22 H24 Cl2 Cu N6 O8 -","- C88 H96 Cl8 Cu4 N24 O32 -","4","1","SF3007","Qian, Hui-Fen; Huang, Wei","Bis(3-aminopyridine-κ<i>N</i>)(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(perchlorato-κ<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section C","2006","62","8","m349","m351","10.1107/S0108270106021160","","","0.71073","MoKα","","0.0493","0.0453","","","0.1009","0.1025","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015515","7.756","0.0015","10.336","0.002","12.873","0.003","83.802","0.003","75.795","0.003","76.01","0.003","969.5","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)","","- C19 H12 Br Cl Cu N2 O6 -","- C19 H12 Br Cl Cu N2 O6 -","- C38 H24 Br2 Cl2 Cu2 N4 O12 -","2","1","SF3008","Hong-Yan Wu; Yun-Feng Feng; Shu-Rong Wang; Wei-Ping Huang","(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","2006","62","8","m358","m359","10.1107/S0108270106022761","","","0.71073","MoKα","","0.0734","0.0491","","","0.1198","0.1384","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015516","12.9","0.005","12.9","0.005","30.33","0.003","90","","90","","90","","5047","3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","tetrakis(μ-3,5-dinitrobenzoato-κ^2^O:O')bis[(caffeine-κO)copper(II)]","tetrakis(μ-3,5-dinitrobenzoato-κ^2^O:O')bis[(3,7-dihydro-1,3,7- trimethyl-1H-purine-2,6-dione-κO)copper(II)]}","","- C44 H32 Cu2 N16 O28 -","- C44 H32 Cu2 N16 O28 -","- C176 H128 Cu8 N64 O112 -","4","0.25","SF3010","Stachová, Petra; Moncol, Jan; Valigura, Dušan; Lis, Tadeusz","Unusual <i>O</i>-coordination of caffeine in tetrakis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(caffeine-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2006","62","8","m375","m377","10.1107/S0108270106025467","","","0.71069","MoKα","","0.1408","0.0536","","","0.069","0.0783","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015517","8.9582","0.0006","9.836","0.0006","11.9183","0.0007","79.294","0.001","81.822","0.001","69.526","0.001","963.28","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[bis(dimethylformamide)zinc(II)]-μ~3~-5-hydroxybenzene-1,3-dicarboxylato] toluene solvate]","","- C17.5 H22 N2 O7 Zn -","- C17.5 H22 N2 O7 Zn -","- C35 H44 N4 O14 Zn2 -","2","1","SK3025","Jhon, Young Ho; Kim, Jaheon","Poly[[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)zinc(II)]-μ~3~-5-hydroxybenzene-1,3-dicarboxylato] toluene solvate]","Acta Crystallographica Section C","2006","62","8","m334","m336","10.1107/S0108270106020968","","","0.71073","MoKα","","0.0357","0.0288","","","0.0715","0.0754","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015518","6.971","0.001","17.508","0.001","26.905","0.002","90","","90","","90","","3283.7","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C144 H128 Cl8 N24 O8 -","8","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0637","0.048","","","0.1159","0.1259","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015519","6.848","0.001","13.654","0.002","17.567","0.002","90","","90","","90","","1642.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C72 H64 Cl4 N12 O4 -","4","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0481","0.0418","","","0.1029","0.1072","","","","","","1.042","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015520","7.151","0.0006","9.768","0.0007","12.378","0.0008","72.094","0.005","83.529","0.004","85.055","0.004","816.28","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Methoxyphenyl)-7,7-dimethyl-1,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-5-one","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C38 H38 N6 O4 -","2","1","SK3039","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(4-Methoxyphenyl)-7,7-dimethyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>]quinolin-5-one: a chain of centrosymmetric rings built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o525","o527","10.1107/S0108270106025522","","","0.71073","MoKα","","0.1536","0.0743","","","0.1304","0.1599","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015521","9.8216","0.0005","11.3582","0.0007","12.2783","0.0008","70.429","0.003","69.895","0.004","66.454","0.004","1147.66","0.13","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","7-amino-5-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine","","- C11 H16 N4 -","- C11 H16 N4 -","- C44 H64 N16 -","4","2","SK3040","Portilla, Jaime; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","A hydrogen-bonded chain of rings in 7-amino-5-<i>tert</i>-butyl-2-methylpyrazolo[1,5-<i>a</i>]pyrimidine, and a hydrogen-bonded framework structure in 3,7-diamino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine monohydrate","Acta Crystallographica Section C","2006","62","8","o521","o524","10.1107/S0108270106025893","","","0.71073","MoKα","","0.1159","0.0559","","","0.1228","0.1498","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015522","8.097","0.0002","9.8881","0.0003","11.9661","0.0003","90","","96.23","0.005","90","","952.4","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-diamino-2,5-dimethylpyrazolo[1,5-a]pyrimidine monohydrate","","- C8 H13 N5 O -","- C8 H13 N5 O -","- C32 H52 N20 O4 -","4","1","SK3040","Portilla, Jaime; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","A hydrogen-bonded chain of rings in 7-amino-5-<i>tert</i>-butyl-2-methylpyrazolo[1,5-<i>a</i>]pyrimidine, and a hydrogen-bonded framework structure in 3,7-diamino-2,5-dimethylpyrazolo[1,5-<i>a</i>]pyrimidine monohydrate","Acta Crystallographica Section C","2006","62","8","o521","o524","10.1107/S0108270106025893","","","0.71073","MoKα","","0.0686","0.0479","","","0.1346","0.1505","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015523","16.1716","0.0019","8.488","0.001","5.3893","0.0006","90","","107.836","0.002","90","","704.2","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[lithium-μ~3~-ethylenediphosphonato]","","- C2 H7 Li O6 P2 -","- C2 H7 Li O6 P2 -","- C8 H28 Li4 O24 P8 -","4","0.5","SQ3018","Cheng, Ching-Yuan; Lin, Kuan-Jiuh","A lithium ethylenediphosphonate containing lithium chains and symmetric hydrogen bonds","Acta Crystallographica Section C","2006","62","8","m363","m365","10.1107/S0108270106024528","","","0.71073","MoKα","","0.0356","0.0343","","","0.0929","0.0942","","","","","","0.983","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015524","9.4886","0.0012","15.2217","0.0017","17.071","0.002","90","","90","","90","","2465.6","0.5","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,S~Fc~)-2-[(Diphenylthiophosphino)ferrocenyl]-4-methoxymethyl-1,3-dioxane","","- C28 H29 Fe O3 P S -","- C28 H29 Fe O3 P S -","- C112 H116 Fe4 O12 P4 S4 -","4","1","SQ3026","Jean-Claude Daran; Eric Manoury; Lucie Routaboul; Frédéric Rivals","(2<i>S</i>,4<i>S</i>,<i>S</i>~Fc~)-2-[2-(Diphenylthiophosphinoyl)ferrocenyl]-4-methoxymethyl-1,3-dioxane","Acta Crystallographica Section C","2006","62","8","m378","m380","10.1107/S0108270106025662","","","0.71073","MoKα","","0.0379","0.0278","","","0.0532","0.0562","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015525","15.3195","0.0005","5.1799","0.0003","24.6053","0.0008","90","","90.784","0.003","90","","1952.33","0.14","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzamide‒2,3,4,5,6-pentafluorobenzoic acid (2/1)","","- C21 H15 F5 N2 O4 -","- C21 H15 F5 N2 O4 -","- C84 H60 F20 N8 O16 -","4","1","SQ3027","Wojciech Jankowski; Maria Gdaniec; Tadeusz Połoński","The 2:1 cocrystal of benzamide and pentafluorobenzoic acid","Acta Crystallographica Section C","2006","62","8","o492","o494","10.1107/S0108270106022943","","","0.71073","MoKα","","0.0605","0.0377","","","0.0816","0.0916","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015526","7.6122","0.0009","20.091","0.002","13.8061","0.0016","90","","99.328","0.002","90","","2083.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(pyridinium) (tetrachloro-oxo-pyridine-κN)niobate(V) chloride","","- C15 H17 Cl5 N3 Nb O -","- C15 H17 Cl5 N3 Nb O -","- C60 H68 Cl20 N12 Nb4 O4 -","4","1","SQ3030","Guzei, Ilia A.; Saulys, Dovas A.","A long Nb=O double bond in bis(pyridinium) tetrachlorooxo(pyridine-κ<i>N</i>)niobate(V) chloride","Acta Crystallographica Section C","2006","62","8","m369","m371","10.1107/S0108270106026060","","","0.71073","Mo-Kα","","0.0315","0.0303","","","0.0784","0.0792","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015527","12.4386","0.0008","9.8579","0.0007","12.2872","0.0008","90","","90.604","0.001","90","","1506.55","0.17","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(ethylenediamine)cadmium(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","","- C24 H40 Cd N6 O10 S2 -","- C24 H40 Cd N6 O10 S2 -","- C48 H80 Cd2 N12 O20 S4 -","2","0.5","AV3025","Ming-Tian Li; Cheng-Gang Wang; Xu-Cheng Fu","Diaquabis(ethylenediamine)cadmium(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate","Acta Crystallographica Section C","2006","62","9","m434","m436","10.1107/S0108270106029854","","","0.71073","MoKα","","0.0411","0.038","","","0.1165","0.1184","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015528","11.915","0.001","42.205","0.005","7.3069","0.0009","90","","90","","90","","3674.4","0.7","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","","- C8 H7 In O6 -","- C8 H7 In O6 -","- C128 H112 In16 O96 -","16","1","AV3026","Yu-Ling Wang; Qing-Yan Liu; Sheng-Liang Zhong","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","Acta Crystallographica Section C","2006","62","9","m395","m397","10.1107/S0108270106026679","","","0.71073","MoKα","","0.0271","0.0255","","","0.0565","0.0575","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015529","7.1193","0.0013","9.3307","0.0016","9.8866","0.0017","110.428","0.002","104.24","0.002","95.622","0.003","584.19","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Poly[tetra-μ-aqua-hexaaqua-μ~3~-malonato-dinitratodibarium(II)nickel(II)]","","- C6 H24 Ba2 N2 Ni O24 -","- C6 H24 Ba2 N2 Ni O24 -","- C6 H24 Ba2 N2 Ni O24 -","1","0.5","AV3027","Guo, Ming-Lin; Cao, Hong-Xia","Poly[tetra-μ-aqua-hexaaquadi-μ~3~-malonato-dinitratodibarium(II)nickel(II)]","Acta Crystallographica Section C","2006","62","9","m431","m433","10.1107/S0108270106029866","","","0.71073","MoKα","","0.0246","0.0217","","","0.0549","0.0562","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015530","7.9382","0.0001","7.9382","0.0001","7.9382","0.0001","90","","90","","90","","500.226","0.011","173","2","173","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","gamma alumina","","","- Al2.67 O4 -","- Al2.6653 O4 -","- Al21.3224 O32 -","8","0.0416667","BC3006","Ľubomír Smrčok; Vratislav Langer; Jan Křesťan","γ-Alumina: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2006","62","9","i83","i84","10.1107/S0108270106026850","","","0.71073","MoKα","","0.028","0.0265","","","0.0978","0.1004","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015531","10.727","0.007","5.828","0.003","12.613","0.009","90","","103.24","0.08","90","","767.6","0.9","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Sodium trichloromethanesulfonate monohydrate","","- C H2 Cl3 Na O4 S -","- C H2 Cl3 Na O4 S -","- C4 H8 Cl12 Na4 O16 S4 -","4","1","BC3009","Damian, Emiliana; Eriksson, Lars; Sandström, Magnus","Sodium trichloromethanesulfonate monohydrate","Acta Crystallographica Section C","2006","62","9","m419","m420","10.1107/S0108270106026448","","","0.71073","MoKα","","0.069","0.0476","","","0.1171","0.1266","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015532","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","0.5","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0242","0.0238","","","0.0677","0.068","","","","","","1.35","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015533","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","1","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0207","0.0199","","","0.0516","0.052","","","","","","0.967","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015534","11.452","0.0002","22.39","0.0004","12.871","0.0002","90","","91.661","0.001","90","","3298.87","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[1,3-bis(diphenylphosphino)ethane-κ^2^P,P'](pyridine-2-sulfinato- κ^2^N,S)(pyridine-2-thiolato-κ^2^N,S)ruthenium(II)","","- C36 H32 N2 O0.66 P2 Ru S2 -","- C36 H32 N2 O0.66 P2 Ru S2 -","- C144 H128 N8 O2.64 P8 Ru4 S8 -","4","1","BG3001","Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.","Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]","Acta Crystallographica Section C","2006","62","9","m424","m427","10.1107/S0108270106027491","","","0.7107","MoKα","","0.069","0.0419","","","0.1002","0.1125","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015535","8.818","0.005","10.245","0.004","20.136","0.003","83.16","0.02","81.36","0.03","70.12","0.04","1686.7","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[1,3-bis(diphenylphosphino)propane-κ^2^P,P'](pyridine-2-sulfinato- κ^2^N,S)(pyridine-2-thiolato-κ^2^N,S)ruthenium(II)","","- C37 H34 N2 O0.71 P2 Ru S2 -","- C37 H34 N2 O0.714 P2 Ru S2 -","- C74 H68 N4 O1.428 P4 Ru2 S4 -","2","1","BG3001","Von Poelhsitz, G.; Rodrigues, B. L.; Batista, A. A.","Partially oxidized ruthenium phosphine thiolates: [Ru(pySO~2~)~0.33~(pyS)~1.67~(dppe)] and [Ru(pySO~2~)~0.355~(pyS)~1.645~(dppp)]","Acta Crystallographica Section C","2006","62","9","m424","m427","10.1107/S0108270106027491","","","1.54184","CuKα","","0.0423","0.0314","","","0.0846","0.0906","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015536","17.2481","0.001","20.6393","0.0012","11.5549","0.0006","90","","101.167","0.001","90","","4035.5","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[(1,10-phenanthroline)lead(II)]-μ-nitrato-μ-benzoato- [(1,10-phenanthroline)lead(II)]-di-μ-benzoato]","","- C45 H31 N5 O9 Pb2 -","- C45 H31 N5 O9 Pb2 -","- C180 H124 N20 O36 Pb8 -","4","1","BG3015","Zhu, Long-Guan","A one-dimensional mixed-anion lead(II) coordination polymer: <i>catena</i>-poly[[(1,10-phenanthroline)lead(II)]-μ-benzoato-μ-nitrato-[(1,10-phenanthroline)lead(II)]-di-μ-benzoato]","Acta Crystallographica Section C","2006","62","9","m428","m430","10.1107/S0108270106030198","","","0.71073","MoKα","","0.0607","0.037","","","0.0832","0.093","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015537","6.101","0.0003","7.6447","0.0004","8.4463","0.0005","66.239","0.003","70.516","0.003","67.479","0.003","325.48","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","thiourea:dimethyloxalate (2:1)","thiourea:dimethyloxalate (2:1)","","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","1","0.5","BM3008","R. Chitra; Pascal Roussel; R. R. Choudhury","Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K","Acta Crystallographica Section C","2006","62","9","o547","o549","10.1107/S0108270106026084","","","0.71073","MoKα","","0.0667","0.0407","","","0.0984","0.1129","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015538","6.03","0.001","7.511","0.002","8.414","0.002","65.613","0.004","70.475","0.003","66.168","0.003","311.01","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","thiourea:dimethyl oxalate (2:1)","thiourea:dimethyl oxalate (2:1)","","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","- C6 H14 N4 O4 S2 -","1","0.5","BM3008","R. Chitra; Pascal Roussel; R. R. Choudhury","Host‒guest interaction in a thiourea‒dimethyl oxalate (2/1) complex at 300 and 100K","Acta Crystallographica Section C","2006","62","9","o547","o549","10.1107/S0108270106026084","","","0.71073","MoKα","","0.0486","0.0399","","","0.0985","0.1029","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015539","6.6044","0.0011","9.2107","0.0015","13.95","0.002","90","","101.217","0.003","90","","832.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(3-pyridyl)butane-1,3-dionato]copper(II)","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C36 H32 Cu2 N4 O8 -","2","0.5","DN3015","Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald","Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones","Acta Crystallographica Section C","2006","62","9","m443","m447","10.1107/S0108270106025339","","","0.71073","MoKα","","0.0385","0.0293","","","0.0707","0.0734","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015540","11.3492","0.0012","14.1993","0.0013","12.1291","0.0012","90","","96.41","0.003","90","","1942.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(4-pyridyl)butane-1,3-dionato]copper(II) methanol solvate","","- C19 H20 Cu N2 O5 -","- C19 H20 Cu N2 O5 -","- C76 H80 Cu4 N8 O20 -","4","1","DN3015","Domasevitch, Konstantin V.; Vreshch, Volodimir D.; Lysenko, Andrey B.; Krautscheid, Harald","Two-dimensional square-grid frameworks formed by self-associating copper(II) complexes with 1-(3-pyridyl)- and 1-(4-pyridyl)-substituted butane-1,3-diones","Acta Crystallographica Section C","2006","62","9","m443","m447","10.1107/S0108270106025339","","","0.71073","MoKα","","0.0507","0.0316","","","0.0882","0.0928","","","","","","0.897","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015541","9.827","0.002","4.9326","0.001","16.795","0.004","90","","93.91","0.004","90","","812.2","0.3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[[diaquacadmium(II)]-μ~4~-N-(phosphonatomethyl)glycinato]","","- C3 H10 Cd N O7 P -","- C3 H10 Cd N O7 P -","- C12 H40 Cd4 N4 O28 P4 -","4","1","DN3020","Deng, Qian-Jun; Zeng, Ming-Hua; Liang, Hong; Huang, Ke-Long","Poly[[diaquacadmium(II)]-μ~4~-[<i>N</i>-(phosphonatomethyl)ammonio]acetato]","Acta Crystallographica Section C","2006","62","9","m389","m391","10.1107/S0108270106025625","","","0.7107","MoKα","","0.015","0.0148","","","0.0353","0.0353","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015542","10.909","0.004","5.352","0.003","12.474","0.005","90","","109.142","0.005","90","","688","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium picrate","L-prolinium picrate","","- C11 H12 N4 O9 -","- C11 H12 N4 O9 -","- C22 H24 N8 O18 -","2","1","DN3021","K. Anitha; S. Athimoolam; S. Natarajan","<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate","Acta Crystallographica Section C","2006","62","9","o567","o570","10.1107/S0108270106029209","","","0.71069","MoKα","","0.0843","0.0577","","","0.1514","0.1689","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015543","8.211","0.003","11.806","0.004","14.388","0.004","85.428","0.005","82.863","0.005","79.726","0.004","1359.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-methylpyridinium picrate","2-methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","DN3021","K. Anitha; S. Athimoolam; S. Natarajan","<small>L</small>-Prolinium picrate and 2-methylpyridinium picrate","Acta Crystallographica Section C","2006","62","9","o567","o570","10.1107/S0108270106029209","","","0.71069","MoKα","","0.0727","0.0424","","","0.109","0.1238","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015544","13.3968","0.0005","5.0656","0.0002","14.3402","0.0005","90","","108.027","0.001","90","","925.39","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Anilinomethylene-3-oxobutanenitrile","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","DN3022","Vratislav Langer; Eva Scholtzová; Pavel Mach; Tomáš Solčan; Ľubomír Smrčok","2-Anilinomethylene-3-oxobutanenitrile: an X-ray and density functional theory study","Acta Crystallographica Section C","2006","62","9","o544","o546","10.1107/S0108270106025571","","","0.71073","MoKα","","0.0901","0.0492","","","0.1055","0.1243","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015545","9.994","0.002","5.202","0.001","13.798","0.003","90","","118.28","0.03","90","","631.7","0.3","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium bis[iodato(V)]dioxovanadate","","- I2 Li O8 V -","- I2 Li O8 V -","- I8 Li4 O32 V4 -","4","1","EM3001","Chen, Xue-An; Zhang, Li; Chang, Xin-An; Zang, He-Gui; Xiao, Wei-Qiang","Lithium dioxobis[trioxoiodato(V)]vanadate, Li[VO~2~(IO~3~)~2~]","Acta Crystallographica Section C","2006","62","9","i76","i78","10.1107/S0108270106027193","","","0.71073","MoKα","","0.0369","0.036","","","0.1012","0.1016","","","","","","1.254","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015546","14.784","0.002","13.402","0.003","21.084","0.004","90","","104.88","0.01","90","","4037.4","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,5-Bis[3-(tert-butylaminoxyl)phenyl]-1,1-dimethyl-3,4- diphenylsilole-\κO}bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)manganese(II)","","- C86 H86 F12 Mn N4 O8 Si2 -","- C86 H86 F12 Mn N4 O8 Si2 -","- C172 H172 F24 Mn2 N8 O16 Si4 -","2","0.5","FA3007","Roques, Nans; Gerbier, Philippe; Imaz, Inhar; Guionneau, Philippe; Sutter, Jean-Pascal","{2,5-Bis[3-(<i>tert</i>-butylaminoxyl)phenyl]-1,1-dimethyl-3,4-diphenylsilole-κ<i>O</i>}bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)manganese(II)","Acta Crystallographica Section C","2006","62","9","m386","m388","10.1107/S0108270106020191","","","0.71069","MoKα","","0.1167","0.0555","","","0.131","0.1529","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015547","12.357","0.0009","10.3185","0.0007","31.305","0.002","90","","93.876","0.001","90","","3982.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(1,9-diethyladeninium) triiodide diiodide","","- C27 H42 I5 N15 -","- C27 H42 I5 N15 -","- C108 H168 I20 N60 -","4","1","FA3022","Day, Elizabeth F.; Dean, Norman S.; Franz, Andreas H.","Tris(1,9-diethyladeninium) triiodide diiodide","Acta Crystallographica Section C","2006","62","9","o571","o573","10.1107/S0108270106029532","","","0.71073","MoKα","","0.035","0.0288","","","0.0593","0.0615","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015548","8.3005","0.0009","9.6401","0.0011","10.04","0.0011","66.154","0.002","79.666","0.002","79.88","0.002","718.11","0.14","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H18 F N O -","- C18 H18 F N O -","- C36 H36 F2 N2 O2 -","2","1","FG3027","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2006","62","9","o574","o576","10.1107/S0108270106029465","","","0.71073","MoKα","","0.0422","0.0391","","","0.11","0.113","","","","","","1.083","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015549","8.2596","0.0007","10.0084","0.0009","10.1134","0.0009","66.435","0.001","81.927","0.002","77.141","0.001","745.85","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C19 H21 N O -","- C19 H21 N O -","- C38 H42 N2 O2 -","2","1","FG3027","K. Ravikumar; B. Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. XII. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2006","62","9","o574","o576","10.1107/S0108270106029465","","","0.71073","MoKα","","0.0483","0.0434","","","0.1088","0.1122","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015550","10.049","0.004","12.752","0.006","13.479","0.006","98.641","0.006","90.781","0.006","99.424","0.006","1683.3","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(benzonitrile)tetrakis[μ-<i>p</i>-(diethylamino)benzoato- κ^2^O,O']dirhodium(II)(Rh—Rh) benzonitrile disolvate","","- C72 H76 N8 O8 Rh2 -","- C72 H76 N8 O8 Rh2 -","- C72 H76 N8 O8 Rh2 -","1","0.5","FG3029","Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi","Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates","Acta Crystallographica Section C","2006","62","9","m451","m454","10.1107/S0108270106030320","","","0.7107","MoKα","","0.0883","0.055","","","0.095","0.1035","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015551","12.75","0.006","13.29","0.004","14.773","0.005","96.55","0.03","109.42","0.01","118.43","0.01","1961","1.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","(methanol)tetrakis(μ-<i>p</i>-nitrobenzoato- κ^2^O,O')(pyridine)dirhodium(II)(Rh—Rh) dichloromethane solvate, [Rh~2~(C~7~H~4~NO~4~)~4~(C~2~H~4~O)(C~5~H~5~N)].CH~2~Cl~2~","","- C35 H27 Cl2 N5 O17 Rh2 -","- C35 H27 Cl2 N5 O17 Rh2 -","- C70 H54 Cl4 N10 O34 Rh4 -","2","1","FG3029","Ebihara, Masahiro; Yamada, Kaori; Kawamura, Takashi","Paddlewheel dirhodium complexes bridged by <i>para</i>-substituted benzoates","Acta Crystallographica Section C","2006","62","9","m451","m454","10.1107/S0108270106030320","","","0.7107","MoKα","","0.0701","0.047","","","0.1072","0.1164","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015552","12.5046","0.0005","8.1964","0.0003","18.3119","0.0007","90","","96.48","0.001","90","","1864.85","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis[3,5-bis(trifluoromethyl)-1H-pyrazole- κN^2^]dichloropalladium(II) monohydrate","","- C10 H6 Cl2 F12 N4 O Pd -","- C10 H6 Cl2 F12 N4 O Pd -","- C40 H24 Cl8 F48 N16 O4 Pd4 -","4","1","GA3015","Spencer, Lara C.; Guzei, Ilia A.; Ojwach, Stephen O.; Darkwa, James","<i>trans</i>-Bis[3,5-bis(trifluoromethyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]dichloropalladium(II) monohydrate","Acta Crystallographica Section C","2006","62","9","m421","m423","10.1107/S0108270106025030","","","0.71073","Mo-Kα","","0.0219","0.0203","","","0.0527","0.0538","","","","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015553","34.7194","0.0009","6.0462","0.0001","10.0042","0.0003","90","","93.975","0.001","90","","2095.03","0.09","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N,N'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","GA3018","Lin-Hai Jing; Da-Bin Qin; Shao-Jin Gu; Huan-Xia Zhang; Gang Lei","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)naphthalene-1,4-dicarboxamide","Acta Crystallographica Section C","2006","62","9","o561","o562","10.1107/S0108270106026928","","","0.71073","MoKα","","0.0294","0.0291","","","0.0796","0.0799","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015554","10.557","0.004","7.682","0.002","14.376","0.008","90","","98.47","0.04","90","","1153.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","strychninium 4-chlorobenzoate","","- C28 H27 Cl N2 O4 -","- C28 H27 Cl N2 O4 -","- C56 H54 Cl2 N4 O8 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0533","0.0397","","","0.0813","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015555","10.976","0.002","7.545","0.001","14.187","0.002","90","","98.29","0.03","90","","1162.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","strychninium 4-nitrobenzoate","","- C28 H27 N3 O6 -","- C28 H27 N3 O6 -","- C56 H54 N6 O12 -","2","1","GD3030","Agata Białońska; Zbigniew Ciunik","Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate","Acta Crystallographica Section C","2006","62","9","o537","o539","10.1107/S0108270106024711","","","0.71073","MoKα","","0.0322","0.0305","","","0.0778","0.0788","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015556","4.9345","0.0003","22.9848","0.0013","8.3987","0.0005","90","","104.623","0.001","90","","921.71","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate","","- C3 H16 N2 O14 Se4 Zn3 -","- C3 H16 N2 O14 Se4 Zn3 -","- C6 H32 N4 O28 Se8 Zn6 -","2","0.5","GD3033","Ritchie, Lyndsey K.; Harrison, William T. A.","Poly[propane-1,3-diyldiammonium tetra-μ-selenito-trizinc dihydrate]","Acta Crystallographica Section C","2006","62","9","m413","m415","10.1107/S010827010602508X","","","0.71073","MoKα","","0.0516","0.0325","","","0.0606","0.0644","","","","","","0.928","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015557","9.768","0.002","10.804","0.002","16.244","0.003","91.39","0.03","97.05","0.03","99.22","0.03","1677.7","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one","","- C20 H19 Fe N O2 -","- C20 H19 Fe N O2 -","- C80 H76 Fe4 N4 O8 -","4","2","GD3037","Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun","(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","Acta Crystallographica Section C","2006","62","9","m407","m410","10.1107/S0108270106027314","","","0.71073","MoKα","","0.1228","0.0592","","","0.104","0.1255","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015558","7.41","0.0011","14.687","0.002","15.5601","0.0019","80.37","0.007","77.677","0.007","86.297","0.008","1630.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","","- C20 H19 Fe N O2 -","- C20 H19 Fe N O2 -","- C80 H76 Fe4 N4 O8 -","4","2","GD3037","Yao-Cheng Shi; Su-Hua Zhang; Hong-Jian Cheng; Wei-Ping Sun","(<i>Z</i>)-1-Ferrocenyl-3-(3-hydroxyanilino)but-2-en-1-one and (<i>Z</i>)-1-ferrocenyl-3-(4-hydroxyanilino)but-2-en-1-one","Acta Crystallographica Section C","2006","62","9","m407","m410","10.1107/S0108270106027314","","","0.7107","MoKα","","0.0651","0.0479","","","0.0972","0.1054","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015559","10.9077","0.0008","9.961","0.0006","13.2994","0.0008","90","","107.223","0.003","90","","1380.21","0.16","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(trifluoromethanesulfonato-κO)silver(I)]-μ-di-2- pyridylamine-κ^2^N^2^:N^2'^]","","- C11 H9 Ag F3 N3 O3 S -","- C11 H9 Ag F3 N3 O3 S -","- C44 H36 Ag4 F12 N12 O12 S4 -","4","1","GD3040","Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio","<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^], a chain polymer with short Ag···C contacts","Acta Crystallographica Section C","2006","62","9","m411","m412","10.1107/S0108270106028009","","","0.71073","MoKα","","0.032","0.0241","","","0.0554","0.0577","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015560","24.4575","0.0004","12.7827","0.0001","14.5598","0.0004","90","","126.323","0.001","90","","3667.4","0.13","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","diaqua(diethyl ether)[2,6-bis(3-tert-butylpyrazol-1-yl)pyridine]iron(II) bis(tetrafluoroborate) diethyl ether disolvate","","- C28 H47 B2 F8 Fe N5 O5 -","- C28 H47 B2 F8 Fe N5 O5 -","- C112 H188 B8 F32 Fe4 N20 O20 -","4","0.5","GG3033","Colin A. Kilner; Malcolm A. Halcrow","An unusual example of a linearly coordinated acetone ligand in a six-coordinate iron(II) complex","Acta Crystallographica Section C","2006","62","9","m437","m439","10.1107/S0108270106028903","","","0.71073","MoKα","","0.0508","0.0459","","","0.1202","0.1245","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015561","9.7924","0.0002","14.8921","0.0002","10.0937","0.0002","90","","113.392","0.002","90","","1350.98","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-3-(2-bromophenyl)propiononitrile","","- C16 H14 Br N -","- C16 H14 Br N -","- C64 H56 Br4 N4 -","4","1","GG3038","Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate","Acta Crystallographica Section C","2006","62","9","o583","o586","10.1107/S0108270106032689","","","0.71073","MoKα","","0.0387","0.0272","","","0.0587","0.0621","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015562","9.2","0.0003","9.328","0.0002","18.3031","0.0005","90","","90","","90","","1570.73","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-benzyl-2-cyano-3-phenylpropionate","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","GG3038","Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate","Acta Crystallographica Section C","2006","62","9","o583","o586","10.1107/S0108270106032689","","","0.71073","MoKα","","0.0368","0.0307","","","0.0729","0.0759","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015563","7.166","0.003","15.365","0.005","15.818","0.005","90","","90","","90","","1741.7","1.1","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","strontium hydrogen l-malate hexahydrate","Strontium bis(hydrogen L-malate) hexahydrate","","- C8 H22 O16 Sr -","- C8 H22 O16 Sr -","- C32 H88 O64 Sr4 -","4","1","GZ3024","Matos Gomes, E.; Rodrigues, V. H.; Costa, M.M.R.R.; Nogueira, E.; Belsley, M. S.","Supramolecular structure and second harmonic generation in strontium bis(hydrogen <small>L</small>-malate) hexahydrate","Acta Crystallographica Section C","2006","62","9","m416","m418","10.1107/S0108270106028046","","","0.71073","MoKα","","0.0435","0.0212","","","0.0505","0.0546","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015564","8.922","0.002","15.208","0.003","18.692","0.004","90","","91.523","0.003","90","","2535.3","0.9","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","pog","benzyl N-{2-[N-(tert-butoxycarbonyl)prolyl]-4-hydroxyprolyl}glycinate","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0704","0.0564","","","0.1497","0.1621","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015565","5.8816","0.0003","10.6294","0.0006","19.707","0.001","75.24","0.001","82.56","0.001","81.78","0.001","1173.56","0.11","200","2","200","2","","","","","","","","4","P 1","P 1","1","aog","benzyl N-{2-[N-(tert-butoxycarbonyl)alanyl]-4-hydroxyprolyl}glycinate","","- C22 H31 N3 O7 -","- C22 H31 N3 O7 -","- C44 H62 N6 O14 -","2","2","GZ3025","Mitsunobu Doi; Kumiko Imori; Noriko Sakaguchi; Akiko Asano","Boc‒Pro‒Hyp‒Gly‒OBzl and Boc‒Ala‒Hyp‒Gly‒OBzl, two repeating triplets found in collagen","Acta Crystallographica Section C","2006","62","9","o577","o580","10.1107/S0108270106028101","","","0.71073","MoKα","","0.0384","0.0379","","","0.0989","0.0996","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015566","10.7385","0.0006","9.1792","0.0007","12.5005","0.0008","90","","104.892","0.005","90","","1190.8","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(acesulfamato-κ^2^O,N)bis(3-methylpyridine)copper(II)","Bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-κ^2^N^3^,O^4^]bis(3-methylpyridine)copper(II)","","- C20 H22 Cu N4 O8 S2 -","- C20 H22 Cu N4 O8 S2 -","- C40 H44 Cu2 N8 O16 S4 -","2","0.5","GZ3026","Dege, Necmi; İçbudak, Hasan; Adıyaman, Elif","Bis(acesulfamato-κ^2^<i>O</i>^4^,<i>N</i>)bis(3-methylpyridine)copper(II)","Acta Crystallographica Section C","2006","62","9","m401","m403","10.1107/S0108270106027880","","","0.71073","MoKα","","0.0557","0.0475","","","0.1137","0.1189","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015567","10.146","0.0002","7.3091","0.0002","25.1662","0.0007","90","","90","","90","","1866.28","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-dimethyamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.0478","0.033","","0.0467","","0.0371","","","","","","1.1689","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015568","5.9641","0.0001","8.4492","0.0001","23.14","0.0004","90","","90","","90","","1166.07","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-dimethyamino-β-ethyl-β-nitrostyrene","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.1289","0.0377","","0.0768","","0.039","","","","","","1.1373","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015569","7.5232","0.0012","11.7458","0.0018","19.475","0.003","90","","98.671","0.003","90","","1701.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[triaquasulfatocobalt(II)]-μ-4,4'-bipyridine] 1,2-ethanediol solvate]","","- C12 H20 Co N2 O9 S -","- C12 H20 Co N2 O9 S -","- C48 H80 Co4 N8 O36 S4 -","4","1","HJ3018","Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong","<i>catena</i>-Poly[[[triaquasulfatocobalt(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]","Acta Crystallographica Section C","2006","62","9","m448","m450","10.1107/S0108270106031520","","","0.71073","MoKα","","0.0416","0.0322","","","0.0762","0.0829","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015570","12.531","0.003","12.531","0.003","12.721","0.004","90","","90","","120","","1729.9","0.8","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0127","0.0125","","","0.0301","0.0302","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015571","12.53","0.003","12.53","0.003","12.657","0.004","90","","90","","120","","1720.9","0.8","163","2","163","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0115","0.0114","","","0.0271","0.0271","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015572","20.337","0.002","17.7445","0.0018","12.7349","0.0013","90","","124.35","0.002","90","","3794.2","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)","","- C48 H32 Cu N6 O6 -","- C48 H32 Cu N6 O6 -","- C192 H128 Cu4 N24 O24 -","4","0.5","MY3006","Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio","An unusual eight-coordinated copper complex: bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)","Acta Crystallographica Section C","2006","62","9","m404","m406","10.1107/S0108270106021809","","","0.71073","MoKα","","0.1125","0.0656","","","0.1231","0.1399","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015573","7.572","0.004","9.337","0.005","14.027","0.008","80.546","0.01","86.71","0.012","81.598","0.01","967.2","0.9","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile","","- C24 H14 F2 N2 O2 -","- C24 H14 F2 N2 O2 -","- C48 H28 F4 N4 O4 -","2","1","OB3010","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue","Acta Crystallographica Section C","2006","62","9","o540","o543","10.1107/S010827010602378X","","","0.71073","MoKα","","0.196","0.0742","","","0.0951","0.1211","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015574","7.828","0.005","9.523","0.007","13.952","0.01","76.46","0.013","87.25","0.014","83.705","0.015","1004.8","1.2","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-methylphenyl)-2-oxo-1,2-dihydropyridine- 3-carbonitrile","","- C25 H17 F N2 O2 -","- C25 H17 F N2 O2 -","- C50 H34 F2 N4 O4 -","2","1","OB3010","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; T. N. Guru Row","4-(4-Fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue","Acta Crystallographica Section C","2006","62","9","o540","o543","10.1107/S010827010602378X","","","0.71073","MoKα","","0.1912","0.0955","","","0.136","0.1587","","","","","","1.142","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015575","6.799","0.002","15.834","0.005","16.441","0.005","90","","90","","90","","1770","0.9","293","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-4- carboxylatophenoxyacetato-κ^3^O,O':O'']","","- C19 H16 Cd N2 O6 -","- C19 H16 Cd N2 O6 -","- C76 H64 Cd4 N8 O24 -","4","1","OB3012","Yang, Yan; Zeng, Ming-Hua; Meng, Fa-Yan; Liang, Hong","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]","Acta Crystallographica Section C","2006","62","9","m392","m394","10.1107/S0108270106026783","","","0.71073","MoKα","","0.0343","0.0261","","","0.0477","0.0502","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015576","12.4071","0.0016","7.9834","0.001","21.376","0.003","90","","98.041","0.002","90","","2096.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-(2-Aminobenzyl)-N,N-bis(quinolin-2-ylmethyl)amine","","- C27 H24 N4 -","- C27 H24 N4 -","- C108 H96 N16 -","4","1","SF3012","Abhijit Mitra; Pamela J. Seaton; Kraig A. Wheeler","<i>N</i>-(2-Aminobenzyl)-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)amine","Acta Crystallographica Section C","2006","62","9","o581","o582","10.1107/S0108270106030502","","","0.71073","MoKα","","0.0986","0.0574","","","0.1195","0.1342","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015577","10.694","0.0003","11.712","0.0003","16.048","0.0005","109.351","0.001","101.678","0.001","90.325","0.001","1851.41","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate","","- C11 H5.66 D16 N2 O2.33 -","- C11 H21.6667 N2 O2.33333 -","- C66 H130 N12 O14 -","6","3","SK3034","Duskova, Jarmila; Jiri Labsky; Ivana Cisarova; Tereza Skalova; Jan Dohnalek; Jindrich Hasek","4-Acetamido-3,3,5,5-[^2^H~4~]-2,2,6,6-tetra([^2^H~3~]methyl)piperidin-1-yloxyl 0.33-hydrate","Acta Crystallographica Section C","2006","62","9","o563","o566","10.1107/S0108270106024814","","","0.7107","MoKα","","0.0629","0.0481","","","0.1288","0.1397","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015578","22.5423","0.0006","8.4647","0.0003","7.4243","0.0002","90","","91.51","0.002","90","","1416.17","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-thienyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0558","0.0382","","","0.1046","0.1128","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015579","3.8557","0.0002","24.0484","0.0007","12.5466","0.0004","90","","96.877","0.002","90","","1154.99","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-(4-bromophenyl)-2-(2-thienyl)acrylonitrile","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0723","0.0401","","","0.0734","0.0807","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015580","9.628","0.0011","5.719","0.0003","19.247","0.002","90","","103.129","0.007","90","","1032.09","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-phenyl-2-(3-thienyl)acrylonitrile","","- C13 H9 N S -","- C13 H9 N S -","- C52 H36 N4 S4 -","4","1","SK3037","Cobo, Debora; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted (<i>E</i>)-3-aryl-2-(thienyl)acrylonitriles: isolated molecules, simple hydrogen-bonded chains and hydrogen-bonded sheets","Acta Crystallographica Section C","2006","62","9","o550","o553","10.1107/S0108270106026874","","","0.71073","MoKα","","0.0887","0.0665","","","0.1777","0.2062","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015581","9.1188","0.00012","11.3095","0.0002","11.6526","0.0002","97.5471","0.001","110.587","0.001","104.468","0.0011","1056.98","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-methyl-2-(methylsulfanyl)- 6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one monohydrate","","- C22 H25 N3 O4 S -","- C22 H25 N3 O4 S -","- C44 H50 N6 O8 S2 -","2","1","SK3043","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","5-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-methyl-2-(methylsulfanyl)-6-phenyl-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one monohydrate: complex sheets generated by multiple hydrogen bonds","Acta Crystallographica Section C","2006","62","9","o554","o556","10.1107/S0108270106027557","","","0.71073","MoKα","","0.075","0.0569","","","0.134","0.1439","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015582","11.3334","0.0006","12.9913","0.0007","15.7999","0.0009","78.778","0.001","79.52","0.001","66.023","0.001","2071.2","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate","","- C40 H36 Bi6 I22 N8 -","- C40 H32 Bi6 I22 N8 -","- C40 H32 Bi6 I22 N8 -","1","0.5","SQ3025","Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","Acta Crystallographica Section C","2006","62","9","m381","m385","10.1107/S0108270106025972","","","0.71073","MoKα","","0.0436","0.0356","","","0.0816","0.0851","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015583","12.7346","0.0007","13.6135","0.0007","14.5978","0.0008","91.38","0.001","100.077","0.001","92.01","0.001","2489","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","","- C60 H48 Bi6 I22 N12 Ru2 -","- C60 H48 Bi6 I22 N12 Ru2 -","- C60 H48 Bi6 I22 N12 Ru2 -","1","0.5","SQ3025","Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur","Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate","Acta Crystallographica Section C","2006","62","9","m381","m385","10.1107/S0108270106025972","","","0.71073","MoKα","","0.0379","0.0324","","","0.0678","0.0698","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015584","11.716","0.003","15.063","0.004","15.837","0.004","76.49","0.005","80.577","0.005","79.533","0.005","2650.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-11-thiosemicarbazonoindeno[1,2-b]quinoxaline-8-carboxylato)bis[(dimethyl sulfoxide)zinc(II)] dimethyl sulfoxide trisolvate","","- C44 H48 N10 O9 S7 Zn2 -","- C44 H48 N10 O9 S7 Zn2 -","- C88 H96 N20 O18 S14 Zn4 -","2","1","SQ3031","Xi-Quan Che; Yu-Xiang Gao; Jing-Wei Wang","A novel 8-carboxyindeno[1,2-<i>b</i>]quinoxalin-11-one thiosemicarbazone zinc(II) Schiff base complex","Acta Crystallographica Section C","2006","62","9","m440","m442","10.1107/S0108270106027582","","","0.71073","MoKα","","0.1336","0.0695","","","0.1541","0.188","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2015585","18.0255","0.0011","7.6426","0.0005","10.7325","0.0008","90","","90","","90","","1478.53","0.17","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichloro[(1E,1'E)-1,1'-(pyridine-2,6-diyl)diethanone bis(O-methyl oxime)-κ^3^N^1^,N^2^,N^6^]cobalt(II)","","- C11 H15 Cl2 Co N3 O2 -","- C11 H15 Cl2 Co N3 O2 -","- C44 H60 Cl8 Co4 N12 O8 -","4","0.5","SQ3032","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","Dichloro[(1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)diethanone bis(<i>O</i>-methyloxime)-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]cobalt(II)","Acta Crystallographica Section C","2006","62","9","m398","m400","10.1107/S0108270106026916","","","0.71073","MoKα","","0.0322","0.0242","","","0.0585","0.0607","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015586","8.747","0.004","9.016","0.005","9.863","0.009","90","","100.96","0.04","90","","763.6","0.9","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lead Vanadylphosphate","dilead vanadium oxide bis(phosphate)","","- O9 P2 Pb2 V -","- O9 P2 Pb2 V -","- O36 P8 Pb8 V4 -","4","1","AV3010","Roman V. Shpanchenko; Enrique E. Kaul; Christoph Geibel; Evgeny V. Antipov","The new lead vanadylphosphate Pb~2~VO(PO~4~)~2~","Acta Crystallographica Section C","2006","62","10","i88","i90","10.1107/S0108270106021597","","","0.71069","MoKα","","0.0321","0.0321","","","0.0445","0.0445","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015587","8.8154","0.0009","15.0516","0.0003","6.695","0.0006","90","","90.933","0.012","90","","888.21","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-Carboxyphenylammonium nitrate","","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C28 H32 N8 O20 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.058","0.0466","","","0.1261","0.1342","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015588","7.5492","0.0007","19.3871","0.0005","7.2974","0.0003","90","","101.524","0.005","90","","1046.5","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-Carboxyphenylammonium perchlorate monohydrate","","","- C7 H10 Cl N O7 -","- C7 H10 Cl N O7 -","- C28 H40 Cl4 N4 O28 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.0488","0.0415","","","0.1138","0.1201","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015589","18.7094","0.0008","14.0562","0.0004","6.0551","0.0005","90","","97.272","0.005","90","","1579.58","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(p-Carboxyphenylammonium) sulfate","","","- C14 H16 N2 O8 S -","- C14 H16 N2 O8 S -","- C56 H64 N8 O32 S4 -","4","1","AV3034","S. Athimoolam; S. Natarajan","Hydrogen-bonding motifs in 4-carboxyphenylammonium nitrate and perchlorate monohydrate, and in bis(4-carboxyphenylammonium) sulfate","Acta Crystallographica Section C","2006","62","10","o612","o617","10.1107/S0108270106033506","","","0.71073","MoKα","","0.0864","0.0596","","","0.1578","0.1811","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015590","8.6681","0.001","5.6287","0.0004","11.733","0.0014","90","","90.199","0.014","90","","572.45","0.1","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","rubidium dibarium azide","Rubidium dibarium pentaazide","","- Ba2 N15 Rb -","- Ba2 N15 Rb -","- Ba4 N30 Rb2 -","2","0.5","BC3011","Vajenine, Grigori V.","RbBa~2~(N~3~)~5~: a new ternary azide","Acta Crystallographica Section C","2006","62","10","i85","i87","10.1107/S0108270106033981","","","0.56086","AgKα","","0.0494","0.0342","","","0.0797","0.0843","","","","","","1.141","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015591","7.876","0.002","15.594","0.004","19.136","0.005","90","","93.214","0.005","90","","2346.6","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5,7-dihydroxyflavone-6-sulfonate-κ^2^O^4^,O^5^)nickel(II) dimethylformamide solvate monohydrate","","- C18 H25 N Ni O13 S -","- C18 H25 N Ni O13 S -","- C72 H100 N4 Ni4 O52 S4 -","4","1","BG3016","Yun He","Tetraaqua(7-hydroxy-5-oxidoflavone-6-sulfonato-κ^2^<i>O</i>^4^,<i>O</i>^5^)nickel(II) dimethylformamide solvate monohydrate","Acta Crystallographica Section C","2006","62","10","m469","m471","10.1107/S0108270106034536","","","0.71073","MoKα","","0.0473","0.032","","","0.0801","0.0838","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015592","13.7244","0.0008","21.6461","0.0013","16.1238","0.0009","90","","90.68","0.001","90","","4789.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis[bis(2,2'-bipyridine-κ^2^N,N')(sulfato-κO)iron(III)] undecahydrate","","- C40 H54 Fe2 N8 O20 S2 -","- C40 H54 Fe2 N8 O20 S2 -","- C160 H216 Fe8 N32 O80 S8 -","4","0.5","BG3017","Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.","Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]","Acta Crystallographica Section C","2006","62","10","m480","m483","10.1107/S0108270106034275","","","0.71073","MoKα","","0.0816","0.0604","","","0.113","0.1205","","","","","","1.136","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015593","12.8303","0.0018","21.819","0.003","19.312","0.003","90","","96.288","0.003","90","","5373.8","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis[bis(2,2'-bipyridine-κ^2^N,N')(sulfato-κO)iron(III)] pentadecahydrate","","- C40 H62 Fe2 N8 O24 S2 -","- C40 H62 Fe2 N8 O24 S2 -","- C160 H248 Fe8 N32 O96 S8 -","4","0.5","BG3017","Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.","Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]","Acta Crystallographica Section C","2006","62","10","m480","m483","10.1107/S0108270106034275","","","0.71073","MoKα","","0.1132","0.0565","","","0.093","0.107","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015594","13.8","0.003","14.984","0.003","18.283","0.004","90","","90","","90","","3780.5","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","","- C32 H40 Br6 Fe2 N2 O -","- C32 H40 Br6 Fe2 N2 O -","- C128 H160 Br24 Fe8 N8 O4 -","4","0.5","FA3029","Busi, Sara; Lahtinen, Manu; Sillanpää, Reijo; Rissanen, Kari","A linear Fe‒O‒Fe unit in bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","Acta Crystallographica Section C","2006","62","10","m458","m460","10.1107/S0108270106033208","","","0.71073","MoKα","","0.0847","0.0491","","","0.0963","0.1103","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015595","7.637","0.002","9.4576","0.0017","17.632","0.004","90","","90","","90","","1273.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-chloro-7-(2-deoxy-β-D-erythro-pentofuranosyl)- 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","","- C11 H14 Cl N5 O3 -","- C11 H14 Cl N5 O3 -","- C44 H56 Cl4 N20 O12 -","4","1","FA3032","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","2-Amino-7-chloro-2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","10","o593","o595","10.1107/S0108270106032227","","","0.71073","MoKα","","0.1333","0.0604","","","0.1151","0.1446","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015596","13.439","0.0004","13.868","0.0004","46.162","0.0015","90","","93.05","0.002","90","","8591.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-[5-(4-Bromophenyl)-1H-pyrazol-3-ylamino]-5,5-dimethylcyclohex- 2-en-1-one‒(Z)-3-(4-bromophenyl)-3-chloroacrylonitrile (2:1)","","- C43 H41 Br3 Cl N7 O2 -","- C43 H41 Br3 Cl N7 O2 -","- C344 H328 Br24 Cl8 N56 O16 -","8","1","FA3037","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-[5-(4-Bromophenyl)-1<i>H</i>-pyrazol-3-ylamino]-5,5-dimethylcyclohex-2-en-1-one‒(<i>Z</i>)-3-(4-bromophenyl)-3-chloroacrylonitrile (2/1): a stoichiometric cocrystal of a reaction product with one of its early precursors","Acta Crystallographica Section C","2006","62","10","o608","o611","10.1107/S0108270106033968","","","0.71073","MoKα","","0.0984","0.0512","","","0.1165","0.1364","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015597","5.961","0.001","17.604","0.004","8.917","0.002","90","","108.38","0.03","90","","888","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(ethylenediaminium) bis[N,N-dihydroxyoxamidato(3-)]nickelate(II) dihydrate","","- C8 H26 N8 Ni O10 -","- C8 H26 N8 Ni O10 -","- C16 H52 N16 Ni2 O20 -","2","0.5","GA3019","Yurii S. Moroz; Elźbieta Gumienna-Kontecka; Igor O. Fritsky; Nikolay M. Dudarenko; Jolanta Świątek-Kozłowska","Bis(ethylenediaminium) bis[oxalohydroxamato(3‒)]nickelate(II) dihydrate","Acta Crystallographica Section C","2006","62","10","m498","m500","10.1107/S0108270106036201","","","0.71073","MoKα","","0.0365","0.0344","","","0.0939","0.0954","","","","","","1.081","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015598","14.4115","0.0006","11.4432","0.0004","13.432","0.0005","90","","102.434","0.002","90","","2163.16","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[4-(hexyloxy)phenyl]pyridin-4(1H)-one‒4-cyanobenzoic acid (1/1)","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","1","GA3021","Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.","A hydrogen-bonded heterodimer of 1-(4-hexyloxyphenyl)pyridin-4(1<i>H</i>)-one with 4-cyanobenzoic acid","Acta Crystallographica Section C","2006","62","10","o596","o598","10.1107/S0108270106033117","","","0.71073","MoKα","","0.074","0.05","","","0.112","0.123","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015599","13.8014","0.0004","8.903","0.0004","21.1399","0.0009","90","","91.675","0.003","90","","2596.43","0.18","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ-5,10,15,20-tetrakis(4-carbomethoxyphenyl)porphyrinato(2-)]zinc(II)] N,N'-dimethylacetamide disolvate]","","- C60 H54 N6 O10 Zn -","- C60 H54 N6 O10 Zn -","- C120 H108 N12 O20 Zn2 -","2","0.5","GA3024","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Poly[[[μ-5,10,15,20-tetrakis(4-methoxycarbonylphenyl)porphyrinato(2‒)]zinc(II)] <i>N</i>,<i>N</i>'-dimethylacetamide disolvate]","Acta Crystallographica Section C","2006","62","10","m495","m497","10.1107/S0108270106035840","","","0.71073","MoKα","","0.0982","0.0642","","","0.1043","0.1156","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015600","22.018","0.004","8.96","0.0018","16.371","0.003","90","","92.49","0.03","90","","3226.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly-[bis[(1,10-phenanthroline)nickel(II)]-μ- 3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","","- C18 H12 N2 Ni O6 -","- C18 H12 N2 Ni O6 -","- C144 H96 N16 Ni8 O48 -","8","1","GD3041","Zhi-Feng Li; Hong-Zhen Xie; Yue-Qing Zheng","<i>catena</i>-Poly[bis[(1,10-phenanthroline)nickel(II)]-μ-3,6-dicarboxycyclohexane-1,2,4,5-tetracarboxylato]","Acta Crystallographica Section C","2006","62","10","m455","m457","10.1107/S0108270106032495","","","0.71073","MoKα","","0.0515","0.0355","","","0.0806","0.0872","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015601","10.0979","0.0004","13.4026","0.0007","10.6047","0.0004","90","","109.479","0.003","90","","1353.07","0.11","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-n-hexyl-5-hydroxy-3-phenyl-1H-pyrazole","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","GD3042","Julio Belmar; Claudio Jiménez; C. Ruiz-Pérez; F. S. Delgado; Ricardo Baggio","A unique tautomer of 1-<i>n</i>-hexyl-3-phenyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section C","2006","62","10","o599","o601","10.1107/S0108270106032926","","","0.71073","MoKα","","0.0719","0.047","","","0.0966","0.1093","","","","","","1.132","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015602","10.914","0.0016","8.7717","0.0013","15.692","0.002","90","","101.488","0.003","90","","1472.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[diisothiocyanatocadmium(II)]-bis[μ-1,3-bis(1,2,4-triazol- 1-ylmethyl)benzene-κ^2^N^4^:N^4'^]]","","- C26 H24 Cd N14 S2 -","- C26 H24 Cd N14 S2 -","- C52 H48 Cd2 N28 S4 -","2","0.5","GD3044","Ge, Hai-Yan; Zhang, Yu-Mei; Li, Bao-Long; Zhang, Yong","<i>catena</i>-Poly[[diisothiocyanatocadmium(II)]-bis[μ-1,3-bis(1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]]: a double-chain coordination polymer","Acta Crystallographica Section C","2006","62","10","m501","m503","10.1107/S010827010603294X","","","0.7107","MoKα","","0.0357","0.0315","","","0.0684","0.0702","","","","","","1.084","","","","has coordinates,has Fobs","287989","2023-12-04","14:52:13",""
"2015603","9.2505","0.0004","9.66","0.0005","21.1032","0.001","90","","101.422","0.003","90","","1848.43","0.15","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II)","","- C47 H28 N8 O Zn -","- C47 H28 N8 O Zn -","- C94 H56 N16 O2 Zn2 -","2","1","GD3047","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Supramolecular assembly of (methanol)[10,15,20-tris(4-cyanophenyl)-5-(4-pyridyl)porphyrinato]zinc(II) by intermolecular hydrogen bonding and weak coordination","Acta Crystallographica Section C","2006","62","10","m477","m479","10.1107/S0108270106034986","","","0.71073","MoKα","","0.0779","0.0632","","","0.132","0.1389","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015604","17.852","0.013","7.365","0.005","13.558","0.01","90","","96.194","0.011","90","","1772","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate","","- C16 H19 N O9 S -","- C16 H19 N O9 S -","- C64 H76 N4 O36 S4 -","4","1","GG3002","Zun-Ting Zhang; Xin-Li Cheng; Yun He","Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","Acta Crystallographica Section C","2006","62","10","m484","m487","10.1107/S0108270106007463","","","0.71073","MoKα","","0.0702","0.0429","","","0.1048","0.1225","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015605","8.827","0.003","10.422","0.003","12.803","0.004","88.888","0.004","84.952","0.004","74.255","0.004","1129.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","","- C38 H54 Fe O24 S2 -","- C38 H54 Fe O24 S2 -","- C38 H54 Fe O24 S2 -","1","0.5","GG3002","Zun-Ting Zhang; Xin-Li Cheng; Yun He","Hydrogen bonding and π‒π stacking in methylaminium 4',7-dihydroxyisoflavone-3'-sulfonate dihydrate and hexaaquairon(II) bis(4',7-diethoxyisoflavone-3'-sulfonate) tetrahydrate","Acta Crystallographica Section C","2006","62","10","m484","m487","10.1107/S0108270106007463","","","0.71073","MoKα","","0.0754","0.0465","","","0.1077","0.1252","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015606","10.5429","0.0003","12.4821","0.0004","12.6458","0.0003","90","","90","","90","","1664.16","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound I","2,6-dibromo-3,5-dimethylpyridine","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C56 H56 Br16 N8 -","8","2","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0307","0.0255","","","0.0469","0.0486","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015607","7.6194","0.0003","14.6296","0.0006","8.1057","0.0002","90","","90","","90","","903.53","0.06","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 2","2,6-diiodo-3,5-dimethylpyridine","","- C7 H7 I2 N -","- C7 H7 I2 N -","- C28 H28 I8 N4 -","4","0.5","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0256","0.0212","","","0.0452","0.0469","","","","","","1.121","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015608","12.268","0.003","10.514","0.002","19.549","0.004","90","","106.78","0.03","90","","2414.2","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","di-μ-chloro-bis[(diphenoxyphosphinite-κP)(diphenoxyphosphinito- κP)palladium(II)]","","- C48 H42 Cl2 O12 P4 Pd2 -","- C48 H42 Cl2 O12 P4 Pd2 -","- C96 H84 Cl4 O24 P8 Pd4 -","2","0.5","GG3039","Gniewek, Andrzej; Pryjomska-Ray, Iweta; Trzeciak, Anna M.; Ziółkowski, Józef J.; Lis, Tadeusz","A chloro-bridged dinuclear phosphinitopalladium complex, di-μ-chloro-bis[(diphenoxyphosphinite-κ<i>P</i>)(diphenoxyphosphinito-κ<i>P</i>)palladium(II)]","Acta Crystallographica Section C","2006","62","10","m491","m494","10.1107/S0108270106034500","","","0.71073","MoKα","","0.0975","0.0521","","","0.1005","0.1108","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015609","7.5511","0.0002","14.4834","0.0004","8.3097","0.0003","90","","110.485","0.002","90","","851.33","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Dichlorobenzohydrazide","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0356","0.0275","","","0.0676","0.0715","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015610","15.1188","0.0017","3.8801","0.0004","13.6029","0.0014","90","","91.106","0.006","90","","797.83","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichlorobenzohydrazide","","- C7 H6 Cl2 N2 O -","- C7 H6 Cl2 N2 O -","- C28 H24 Cl8 N8 O4 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0759","0.0455","","","0.0903","0.1005","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015611","11.1667","0.0004","6.9936","0.0003","12.7105","0.0004","90","","112.02","0.06","90","","920.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-2-chlorobenzohydrazide monohydrate","","- C7 H10 Cl N3 O2 -","- C7 H10 Cl N3 O2 -","- C28 H40 Cl4 N12 O8 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.0492","0.035","","","0.084","0.0905","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015612","12.5382","0.001","4.9867","0.0002","12.8637","0.0008","90","","90","","90","","804.29","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.1378","0.0875","","","0.0863","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015613","5.9765","0.0012","7.9484","0.0016","18.13","0.004","90","","96.439","0.004","90","","855.8","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,R~S~)-6-Phenyl-1-(p-tolylsulfinyl)hexa-3(E),5(E)-dien-2-ol","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C38 H40 O4 S2 -","2","1","GG3043","Oscar Donoso-Tauda; Carlos A. Escobar; Ramiro Araya-Maturana; Andrés Vega","(2<i>S</i>,<i>R</i>~S~)-6-Phenyl-1-(<i>p</i>-tolylsulfinyl)hexa-3(<i>E</i>),5(<i>E</i>)-dien-2-ol","Acta Crystallographica Section C","2006","62","10","o631","o632","10.1107/S0108270106036171","","","0.71073","MoKα","","0.0848","0.0627","","","0.105","0.1134","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015614","11.039","0.002","13.995","0.003","17.371","0.003","90","","99.04","0.03","90","","2650.3","0.9","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-amino-4,6-dimethylpyrimidinium salicylate","2-amino-4,6-dimethylpyrimidinium salicylate","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","4","GZ3021","Packianathan Thomas Muthiah; Kasthuri Balasubramani; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding and π‒π interactions in 2-amino-4,6-dimethylpyrimidinium salicylate","Acta Crystallographica Section C","2006","62","10","o605","o607","10.1107/S0108270106031015","","","0.71073","MoKα","","0.1477","0.0453","","","0.0594","0.0819","","","","","","0.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015615","7.931","0.0016","10.34","0.002","11.734","0.002","74.87","0.03","75.64","0.03","68.06","0.03","849.4","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^N,O)zinc(II) tetrahydrate","","- C34 H32 N10 O8 Zn -","- C34 H32 N10 O8 Zn -","- C34 H32 N10 O8 Zn -","1","0.5","GZ3031","Zhi-Feng Li; Chun-Xiang Wang; Chen-Xia Du","Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^<i>N</i>,<i>O</i>]zinc(II) tetrahydrate: a metal‒water chain complex containing cyclic water hexamers","Acta Crystallographica Section C","2006","62","10","m488","m490","10.1107/S0108270106035359","","","0.71073","MoKα","","0.0695","0.0576","","","0.1094","0.1179","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015616","9.904","0.006","9.654","0.006","20.13","0.013","90","","94.228","0.011","90","","1919","2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Bis[(3-aminopropyl)dimethylphosphine-κ^2^N,P]palladium(II) dichloride methanol solvate","","- C11 H32 Cl2 N2 O P2 Pd -","- C11 H32 Cl2 N2 O P2 Pd -","- C44 H128 Cl8 N8 O4 P8 Pd4 -","4","1","OB3009","Suzuki, Takayoshi; Hasegawa, Atsushi; Yamaguchi, Hiroshi; Kashiwabara, Kazuo; Takagi, Hideo D.","<i>cis</i>-Bis[(3-aminopropyl)dimethylphosphine-κ^2^<i>N</i>,<i>P</i>]palladium(II) dichloride methanol solvate","Acta Crystallographica Section C","2006","62","10","m461","m463","10.1107/S0108270106023596","","","0.7107","MoKα","","0.0342","0.0289","","","0.0545","0.0562","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015617","6.517","0.001","16.67","0.003","9.56","0.002","90","","108.69","0.02","90","","983.8","0.3","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminotherephtalic acid chlorohydrate and hydrate","2,5-Dicarboxyanilinium chloride monohydrate","","- C8 H10 Cl N O5 -","- C8 H10 Cl N O5 -","- C32 H40 Cl4 N4 O20 -","4","1","SF3013","Bruno, Giuseppe; Rotondo, Archimede; Brancatelli, Giovanna; Nicoló, Francesco; Marino, Nadia","2,5-Dicarboxyanilinium chloride monohydrate","Acta Crystallographica Section C","2006","62","10","o587","o589","10.1107/S0108270106030873","","","0.71073","MoKα","","","0.0432","","","","0.1171","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015618","20.2187","0.0014","11.5943","0.0006","13.5435","0.0009","90","","93.106","0.003","90","","3170.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[(ferrocenylmethyl)dimethylammonium] sulfate pentahydrate","","- C26 H46 Fe2 N2 O9 S -","- C26 H46 Fe2 N2 O9 S -","- C104 H184 Fe8 N8 O36 S4 -","4","1","SF3015","Guo, Hong-Xu","Two-dimensional hydrogen-bond network in bis[(ferrocenylmethyl)dimethylammonium] sulfate pentahydrate","Acta Crystallographica Section C","2006","62","10","m504","m506","10.1107/S0108270106035232","","","0.71073","MoKα","","0.0636","0.0329","","","0.063","0.0665","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015619","14.4281","0.0005","18.8386","0.0007","9.0887","0.0003","90","","125.285","0.001","90","","2016.52","0.12","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(2R*,3S*)-1-(3,4-dimethoxyphenyl)-3-{3-methoxy-2-[(2R*)-tetrahydropyran- 2-yloxy]phenyl}-2,3-epoxy-1-propanone","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","SK3047","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans","Acta Crystallographica Section C","2006","62","10","o625","o627","10.1107/S0108270106036900","","","0.71073","MoKα","","0.0445","0.0363","","","0.0937","0.0994","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015620","12.7503","0.001","9.4201","0.0007","15.4409","0.0012","90","","94.706","0.002","90","","1848.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-methoxymethoxyphenyl)-2,3- epoxy-1-propanone","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","SK3047","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Chalcone epoxide intermediates in the syntheses of lignin-related phenylcoumarans","Acta Crystallographica Section C","2006","62","10","o625","o627","10.1107/S0108270106036900","","","0.71073","MoKα","","0.0782","0.0441","","","0.0985","0.1134","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015621","7.505","0.0015","5.8492","0.001","19.381","0.004","90","","100.289","0.01","90","","837.1","0.3","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cyclodecyl 4-nitrophenylacetate","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","SK3048","Brown, Judge; Pawar, Diwakar M.; Fronczek, Frank R.; Noe, Eric A.","Cyclodecyl 4-nitrophenylacetate","Acta Crystallographica Section C","2006","62","10","o628","o630","10.1107/S0108270106035049","","","0.71073","MoKα","","0.049","0.038","","","0.081","0.087","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015622","9.7949","0.0009","10.8765","0.001","19.4517","0.0017","80.19","0.001","76.77","0.001","68.758","0.001","1871.5","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","","- C42 H30 Re S6 -","- C42 H30 Re S6 -","- C84 H60 Re2 S12 -","2","1","SQ3033","Eisenberg, Richard; Brennessel, William W.","Redetermination of the trigonal prismatic complex tris(<i>cis</i>-1,2-diphenylethylene-1,2-dithiolato)rhenium","Acta Crystallographica Section C","2006","62","10","m464","m466","10.1107/S0108270106033336","","","0.71073","MoKα","","0.0476","0.0361","","","0.0853","0.0893","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015623","9.3387","0.0011","7.1393","0.0008","9.4837","0.001","90","","118.495","0.005","90","","555.7","0.11","93","2","93","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(methylaminedihydroborane) triiodide","","- C2 H12 B I3 N2 -","- C2 H12 B I3 N2 -","- C4 H24 B2 I6 N4 -","2","0.5","SQ3034","Gainsford, Graeme J.; Kemmitt, Tim","Dihydrobis(methylamine)borate triiodide","Acta Crystallographica Section C","2006","62","10","o602","o604","10.1107/S010827010603335X","","","0.71073","MoKα","","0.0461","0.0353","","","0.0885","0.1002","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015624","11.1178","0.0007","13.3595","0.0009","13.7998","0.0009","111.627","0.001","102.995","0.001","103.648","0.001","1737.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[tris(2-nitrobenzylideneaminoethyl)amine-κ^4^N]copper(I) perchlorate acetonitrile trisolvate","","- C31 H33 Cl Cu N9 O10 -","- C31 H33 Cl Cu N9 O10 -","- C62 H66 Cl2 Cu2 N18 O20 -","2","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.0463","0.0331","","","0.0747","0.0818","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015625","13.183","0.005","14.485","0.006","16.914","0.007","90","","95.319","0.007","90","","3216","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","chloro[tris(2-nitrobenzylaminoethyl)amine-κ^4^N]copper(II) chloride ethanol solvate","","- C29 H39 Cl2 Cu N7 O7 -","- C29 H39 Cl2 Cu N7 O7 -","- C116 H156 Cl8 Cu4 N28 O28 -","4","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.1218","0.0545","","","0.1221","0.1531","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015626","9.5361","0.0007","18.687","0.0013","19.2367","0.0013","90","","104.044","0.001","90","","3325.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tris(2-nitrobenzylideneaminopropyl)amine-κ^4^N]copper(I) perchlorate","","- C30 H33 Cl Cu N7 O10 -","- C30 H33 Cl Cu N7 O10 -","- C120 H132 Cl4 Cu4 N28 O40 -","4","1","SQ3035","Coyle, Joanne L.; Fuller, Anna; McKee, Vickie; Nelson, Jane","Comparison of copper imine and amine podates: geometric consequences of podand size and donor type","Acta Crystallographica Section C","2006","62","10","m472","m476","10.1107/S0108270106034524","","","0.71073","MoKα","","0.0632","0.0395","","","0.0965","0.1115","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015627","6.0925","0.0004","8.644","0.0004","8.3575","0.0004","90","","90","","90","","440.14","0.04","133","2","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","Chloro(diethylenetriamine)copper(II) chloride","","- C4 H13 Cl2 Cu N3 -","- C4 H13 Cl2 Cu N3 -","- C8 H26 Cl4 Cu2 N6 -","2","0.25","SQ3036","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Chloro(diethylenetriamine)copper(II) chloride: a disordered quasi-one-dimensional structure","Acta Crystallographica Section C","2006","62","10","m467","m468","10.1107/S0108270106034305","","","0.71073","MoKα","","","0.03","","","","0.0799","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015628","17.623","0.001","7.2451","0.0006","11.3957","0.0008","90","","90","","90","","1455.01","0.18","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","","- C22 H32 N2 O15 S2 Zn -","- C22 H32 N2 O15 S2 Zn -","- C44 H64 N4 O30 S4 Zn2 -","2","0.5","AV3042","Yu-Ling Wang","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]","Acta Crystallographica Section C","2006","62","11","m522","m524","10.1107/S0108270106038844","","","0.71073","MoKα","","0.0351","0.0305","","","0.0705","0.0735","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015629","10.601","0.002","10.601","0.002","12.484","0.002","90","","90","","120","","1215","0.4","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichloromanganese(II)","","- C12 H25 Cl3 Mn N4 -","- C12 H25 Cl3 Mn N4 -","- C36 H75 Cl9 Mn3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.015","","","","0.0365","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015630","10.5409","0.001","10.5409","0.001","12.303","0.002","90","","90","","120","","1183.9","0.2","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichlorocobalt(II)","","- C12 H25 Cl3 Co N4 -","- C12 H25 Cl3 Co N4 -","- C36 H75 Cl9 Co3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.0199","","","","0.0414","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015631","9.4288","0.0003","11.7262","0.0004","12.127","0.0005","86.196","0.001","77.29","0.001","77.697","0.001","1277.65","0.08","150","2","","","","","","","","","","4","P -1","-P 1","2","","iodotriphenylphosphonium pentaiodide","","- C18 H15 I6 P -","- C18 H15 I6 P -","- C36 H30 I12 P2 -","2","1","BC3017","Pritchard, Robin G.; Moreland, Lee","Solvent-free synthesis and crystal structure of (Ph~3~PI)I~5~, the third member in the series Ph~3~P(I~2~)~<i>n~</i> (<i>n</i> = 1, 2 and 3)","Acta Crystallographica Section C","2006","62","11","o656","o658","10.1107/S0108270106039825","","","0.71073","MoKα","","","0.0534","","","","0.1463","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015632","13.4646","0.0012","13.4646","0.0012","9.8777","0.0007","90","","90","","120","","1550.9","0.2","100","","100","","","","","","","","","5","P 61","P 61","169","","catena-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine- 4-carboxylato(2-)] 1.72-hydrate]","","- C5 H8 Co N2 O8.72 -","- C5 H8 Co N2 O8.72 -","- C30 H48 Co6 N12 O52.32 -","6","1","BG3013","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate]","Acta Crystallographica Section C","2006","62","11","m513","m515","10.1107/S010827010603767X","","","0.71073","MoKα","","0.0433","0.0379","","","0.0847","0.0866","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015633","12.8","0.002","16.565","0.003","14.895","0.002","90","","113.356","0.016","90","","2899.4","0.9","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[bis(2-pyridylcarbonyl)aminato]iron(III) perchlorate acetonitrile disolvate","","- C28 H22 Cl Fe N8 O8 -","- C28 H22 Cl Fe N8 O8 -","- C112 H88 Cl4 Fe4 N32 O32 -","4","1","BG3019","Kooijman, Huub; Tanase, Stefania; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.","Bis[bis(2-pyridylcarbonyl)aminato]iron(III) perchlorate acetonitrile disolvate","Acta Crystallographica Section C","2006","62","11","m510","m512","10.1107/S0108270106037310","","","0.71073","MoKα","","0.0645","0.0385","","","0.0854","0.0947","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015634","17.3792","0.0013","7.8924","0.0006","18.6583","0.0014","90","","109.487","0.001","90","","2412.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κN){2-[bis(2-pyridethyl)amino]ethanol-κ^4^N,N',N'',O}zinc(II) bis(perchlorate) monohydrate","","- C18 H26 Cl2 N4 O10 Zn -","- C18 H26 Cl2 N4 O10 Zn -","- C72 H104 Cl8 N16 O40 Zn4 -","4","1","FA3036","Hong-Chang Liang; Marcel Hetu; Wheeler, Kraig A.; Lev N. Zhakorov; Arnold L. Rheingold","(Acetonitrile-κ<i>N</i>){2-[bis(2-pyridylethyl)amino]ethanol-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}zinc(II) bis(perchlorate) monohydrate","Acta Crystallographica Section C","2006","62","11","m519","m521","10.1107/S0108270106037747","","","0.71073","MoKα","","0.0443","0.0367","","","0.0939","0.0982","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015635","5.4154","0.0005","9.8941","0.0008","11.4431","0.0012","90","","94.97","0.014","90","","610.82","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-(1,3-Anhydro-β-D-psicofuranosyl)adenine","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C22 H26 N10 O8 -","2","1","FA3039","Roivainen, Jarkko; Reuter, Hans; Mikhailopulo, Igor A.; Eickmeier, Henning","9-(1,3-Anhydro-β-<small>D</small>-psicofuranosyl)adenine","Acta Crystallographica Section C","2006","62","11","o659","o660","10.1107/S0108270106037759","","","0.71073","MoKα","","0.0481","0.0413","","","0.1032","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015636","8.601","0.004","14.254","0.007","12.664","0.007","90","","98.854","0.005","90","","1534.1","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[μ-chloro-tetra-μ-acetamidato-κ4N:O;κ4O:N-dirhodium(II,III) methanol solvate]","","- C9 H20 Cl N4 O5 Rh2 -","- C9 H20 Cl N4 O5 Rh2 -","- C36 H80 Cl4 N16 O20 Rh8 -","4","1","FA3040","Ebihara, Masahiro; Fuma, Yasuhiro","A zigzag chain structure in <i>catena</i>-poly[[[tetra-μ-acetamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II,III)]-μ-chloro] methanol solvate]","Acta Crystallographica Section C","2006","62","11","m556","m558","10.1107/S0108270106040121","","","0.71069","MoKα","","0.0403","0.0343","","","0.0693","0.0712","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015637","5.2436","0.0002","11.6079","0.0005","28.9238","0.0011","90","","90","","90","","1760.51","0.12","295","2","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ca7.96 Cu0.04 Ge5 O18 -","- Ca7.959 Cu0.041 Ge5 O18 -","- Ca31.836 Cu0.164 Ge20 O72 -","4","0.5","FA3041","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Ca~7.96~Cu~0.04~Ge~5~O~18~: a new calcium germanate with GeO~4~ and Ge~3~O~10~ units","Acta Crystallographica Section C","2006","62","11","i94","i96","10.1107/S010827010604176X","","","0.71073","MoKα","","","0.0222","","","","0.0587","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015638","18.671","0.004","7.7027","0.0015","14.002","0.003","90","","90.99","0.03","90","","2013.4","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-aqua-bis(μ-2,4-dichlorophenoxyacetato)barium(II)] monohydrate]","","- C16 H14 Ba Cl4 O8 -","- C16 H14 Ba Cl4 O8 -","- C64 H56 Ba4 Cl16 O32 -","4","1","FG3031","Hao, Xiao-Min; Gu, Chang-Sheng; Liu, Ji-Wei; Song, Wen-Dong","Poly[[μ-aqua-bis(μ-2,4-dichlorophenoxyacetato)barium(II)] monohydrate]","Acta Crystallographica Section C","2006","62","11","m516","m518","10.1107/S0108270106037565","","","0.71073","MoKα","","0.0536","0.049","","","0.1195","0.1231","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015639","9.9296","0.0001","9.9296","0.0001","34.0538","0.0006","90","","90","","90","","3357.6","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(S,S)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole‒ (S,S)-1,2-bis(2-hydroxypropionyl)hydrazine (1/1)","","- C12 H24 N6 O6 -","- C12 H24 N6 O6 -","- C96 H192 N48 O48 -","8","1","GA3025","Beckmann, Udo; Brooker, Sally","1:1 Adduct of (<i>S</i>,<i>S</i>)-4-amino-3,5-bis(1-hydroxyethyl)-1,2,4-triazole with (<i>S</i>,<i>S</i>)-1,2-bis(2-hydroxypropionyl)hydrazine stabilized by eight hydrogen bonds","Acta Crystallographica Section C","2006","62","11","o653","o655","10.1107/S0108270106038583","","","0.71073","MoKα","","0.0354","0.0337","","","0.081","0.0818","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015640","9.0779","0.0008","9.1402","0.0009","15.3942","0.0013","85.74","0.007","82.209","0.007","64.386","0.007","1140.98","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","rac-(Z)-Ethyl 2-bromo-2-[(3R,5R)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate","","- C9 H12 Br2 O3 -","- C9 H12 Br2 O3 -","- C36 H48 Br8 O12 -","4","2","GA3026","François Loiseau; Reinhard Neier; Gaël Labat; Helen Stoeckli-Evans","<i>rac</i>-(<i>Z</i>)-Ethyl 2-bromo-2-[(3<i>R</i>,5<i>R</i>)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate","Acta Crystallographica Section C","2006","62","11","o636","o638","10.1107/S0108270106037127","","","0.71073","MoKα","","0.0664","0.04","","","0.0808","0.0881","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015641","11.6122","0.0008","12.1401","0.0009","13.659","0.0011","92.589","0.006","95.61","0.006","92.52","0.006","1912.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2- ylidene]dibromopalladium(II)","","- C42 H26 Br2 F10 N4 Pd -","- C42 H26 Br2 F10 N4 Pd -","- C84 H52 Br4 F20 N8 Pd2 -","2","1","GD3050","Aytaç Gürhan Gökçe; Gülcemal, Süleyman; Aygün, Muhittin; Çetinkaya, Bekir; Büyükgüngör, Orhan","<i>trans</i>-Bis[1-benzyl-3-(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]dibromopalladium(II)","Acta Crystallographica Section C","2006","62","11","m535","m537","10.1107/S0108270106039527","","","0.71073","MoKα","","0.1331","0.0591","","","0.0979","0.1192","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015642","8.9859","0.0002","9.8987","0.0002","13.7459","0.0003","100.297","0.002","102.114","0.002","114.051","0.001","1042.75","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C48 H44 Fe2 N8 O4 -","2","1","GD3052","Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","Acta Crystallographica Section C","2006","62","11","m559","m562","10.1107/S0108270106041345","","","0.71073","MoKα","","0.0653","0.0455","","","0.093","0.1052","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015643","6.386","0.003","7.882","0.003","9.987","0.004","85.305","0.017","89.53","0.02","84.831","0.019","499","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","1","0.5","GD3052","Yao-Cheng Shi; Bei-Bei Zhu; Xiao-Bi Jing","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide and <i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ferrocene-1,1'-diyldicarboxamide","Acta Crystallographica Section C","2006","62","11","m559","m562","10.1107/S0108270106041345","","","0.7107","MoKα","","0.0484","0.0414","","","0.0788","0.0819","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015644","9.715","0.002","9.745","0.002","13.868","0.002","91.21","0.004","102.457","0.003","108.561","0.004","1209.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","DDNU","1,1'-(ethenylidene)bis(4-chlorobenzene)","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C56 H40 Cl8 -","4","2","GZ3023","Jabbar, Md. Abdul; Aritome, Isao; Shimakoshi, Hisashi; Hisaeda,Yoshio","1,1'-(Ethenylidene)bis(4-chlorobenzene)","Acta Crystallographica Section C","2006","62","11","o663","o665","10.1107/S0108270106040753","","","0.71073","MoKα","","0.0925","0.0545","","","0.1348","0.1552","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015645","4.8154","0.0009","8.518","0.005","15.624","0.005","90","","90","","90","","640.9","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Valinol","(S)-(+)-2-Amino-3-methylbutan-1-ol","","- C5 H13 N O -","- C5 H13 N O -","- C20 H52 N4 O4 -","4","1","GZ3028","Dittrich, Birger; Munshi, Parthapratim; Spackman, Mark A.","Invariom-model refinement of <small>L</small>-valinol","Acta Crystallographica Section C","2006","62","11","o633","o635","10.1107/S0108270106037358","","","0.7107","MoKα","","0.0394","0.0282","","","","0.0176","","","","","","1.7095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015646","10.602","0.003","26.834","0.007","12.489","0.003","90","0.005","102.77","0.02","90","0.005","3465.2","1.6","293","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","(η^5^-Cyclopentadienyl)(diphenylphosphinoethane)(4-nitrobenzonitrile)iron(II) iodide","","- C38 H33 Fe I N2 O2 P2 -","- C38 H33 Fe I N2 O2 P2 -","- C152 H132 Fe4 I4 N8 O8 P8 -","4","1","HJ3019","Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Jacob, C.; Garcia, M. Helena","The effect of counter-ions on the supramolecular arrangement of (benzonitrile)[1,2-bis(diphenylphosphino)ethane](η^5^-cyclopentadienyl)iron(II) cations","Acta Crystallographica Section C","2006","62","11","m531","m534","10.1107/S0108270106038662","","","0.71069","MoKα","","","0.0706","","","","0.155","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015647","9.0543","0.001","17.884","0.002","10.3365","0.0012","90","","102.84","0.002","90","","1631.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","n","1-(4,6-diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one","","- C15 H15 N5 O3 S -","- C15 H15 N5 O3 S -","- C60 H60 N20 O12 S4 -","4","1","HJ3022","Xue, Si-Jia; Wang, Qing-Dong; Li, Jing-Zhi","1-(4,6-Diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section C","2006","62","11","o666","o668","10.1107/S0108270106041151","","","0.71073","MoKα","","0.105","0.0508","","","0.0679","0.0811","","","","","","0.876","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015648","12.849","0.003","10.672","0.002","6.4635","0.0013","90","","90","","90","","886.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium chromium niobium oxide phosphate","","- Cr0.5 K Nb0.5 O5 P -","- Cr0.5 K Nb0.5 O5 P -","- Cr4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","0.0504","0.0499","","","0.1141","0.1144","","","","","","1.242","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015649","12.9675","0.0013","10.705","0.003","6.4638","0.0007","90","","90","","90","","897.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium iron niobium oxide phosphate","","- Fe0.5 K Nb0.5 O5 P -","- Fe0.5 K Nb0.5 O5 P -","- Fe4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs K<i>M</i>^III^~0.5~Nb~0.5~OPO~4~ (<i>M</i> = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","","0.0482","","","","0.1125","","","","","","1.326","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015650","16.4033","0.0011","16.4033","0.0011","15.7192","0.0012","90","","90","","90","","4229.5","0.5","296","","296","","","","","","","","","3","I 41/a :2","-I 4ad","88","","4-amino-3-methyl-5-(p-tolyl)-4H-1,2,4-triazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C160 H192 N64 -","16","1","MY3010","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2006","62","11","o643","o646","10.1107/S0108270106037668","","","0.71073","MoKα","","0.0608","0.0407","","","0.1056","0.1149","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015651","6.1062","0.0008","7.3981","0.0011","19.653","0.004","90","","90","","90","","887.8","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-amino-3-methyl-5-phenyl-4H-1,2,4-triazole","","- C9 H10 N4 -","- C9 H10 N4 -","- C36 H40 N16 -","4","1","MY3010","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2006","62","11","o643","o646","10.1107/S0108270106037668","","","0.71073","MoKα","","0.0438","0.0397","","","0.1042","0.1066","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015652","9.2775","0.0013","6.7213","0.0016","14.875","0.002","90","","94.614","0.011","90","","924.6","0.3","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","","- C6 H12 N O5 P -","- C6 H12 N O5 P -","- C24 H48 N4 O20 P4 -","4","1","OB3021","Petar Todorov; Emilia Naydenova; Rosica Petrova; Boris Shivachev; Kolio Troev","[(4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonic acid","Acta Crystallographica Section C","2006","62","11","o661","o662","10.1107/S0108270106041230","","","0.71073","MoKα","","0.1324","0.0668","","","0.1643","0.1918","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015653","10.117","0.002","15.951","0.003","9.858","0.002","90","","114.33","0.03","90","","1449.6","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II)","","- C24 H32 Cd N10 S2 -","- C24 H32 Cd N10 S2 -","- C48 H64 Cd2 N20 S4 -","2","0.5","OB3022","Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping","Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]","Acta Crystallographica Section C","2006","62","11","m527","m530","10.1107/S0108270106039072","","","0.71073","MoKα","","0.0335","0.0309","","","0.0644","0.0654","","","","","","1.202","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015654","17.756","0.004","12.883","0.003","17.637","0.004","90","","110.44","0.03","90","","3780.5","1.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-poly[[di-μ-dicyanamidato-bis[bis(3,5-dimethylpyrazol-1- yl)methane]dicadmium(II)]-di-μ-dicyanamidato]","","- C30 H32 Cd2 N20 -","- C30 H32 Cd2 N20 -","- C120 H128 Cd8 N80 -","4","1","OB3022","Li, Qiao-Yun; Li, Hong-Xi; Tang, Xiao-Yan; Zhang Yong; Lang, Jian-Ping","Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and <i>catena</i>-poly[[di-μ-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-μ-dicyanamidato]","Acta Crystallographica Section C","2006","62","11","m527","m530","10.1107/S0108270106039072","","","0.71073","MoKα","","0.0747","0.0582","","","0.1068","0.114","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015655","5.7381","0.0005","19.5148","0.0016","21.9735","0.0018","90","","90","","90","","2460.5","0.4","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1D-3-(Diphenylphosphino)-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol","","- C25 H31 O6 P -","- C25 H31 O6 P -","- C100 H124 O24 P4 -","4","1","RB3020","Gainsford, Graeme J.; Lensink Cornelis; Falshaw, Andrew","3-Diphenylphosphino-1,2:5,6-di-<i>O</i>-isopropylidene-4-<i>O</i>-methyl-1<small>D</small>-<i>chiro</i>-inositol","Acta Crystallographica Section C","2006","62","11","o650","o652","10.1107/S0108270106038522","","","0.71073","MoKα","","0.057","0.0319","","","0.0553","0.0585","","","","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015656","12.3634","0.001","6.8031","0.0004","28.077","0.002","90","","90.306","0.007","90","","2361.5","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Cyclohexyl-2-[5-(4-pyridyl)-4-(p-tolyl)-4H-1,2,4-triazol-3- ylsulfanyl]acetamide dihydrate","","- C22 H29 N5 O3 S -","- C22 H29 N5 O3 S -","- C88 H116 N20 O12 S4 -","4","1","SF3017","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Keser, Tekin; Büyükgüngör, Orhan","<i>N</i>-Cyclohexyl-2-[5-(4-pyridyl)-4-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-3-ylsulfanyl]acetamide dihydrate","Acta Crystallographica Section C","2006","62","11","o639","o642","10.1107/S0108270106037930","","","0.71073","MoKα","","0.0597","0.0382","","","0.0999","0.1073","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015657","12.3796","0.0002","13.4467","0.0002","15.5757","0.0003","78.1094","0.0005","69.5983","0.0006","68.0862","0.0006","2245.96","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","aqua[20-(4-carboxyphenyl)-5,10,15-triphenylporphyrinato]zinc(II) nitrobenzene disolvate","","- C57 H40 N6 O7 Zn -","- C57 H40 N6 O7 Zn -","- C114 H80 N12 O14 Zn2 -","2","1","SF3019","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","Hydrogen-bonded supramolecular arrays of aqua[20-(4-carboxyphenyl)-5,10,15-triphenylporphyrinato]zinc(II) in crystals of its nitrobenzene disolvate","Acta Crystallographica Section C","2006","62","11","m538","m540","10.1107/S0108270106038996","","","0.71073","MoKα","","0.0923","0.0625","","","0.1607","0.1818","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015658","8.703","0.0015","8.5986","0.0015","9.4773","0.0016","90","","102.532","0.003","90","","692.3","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[aqua-μ~3~-2,2-dimethylmalonato-zinc(II)]","","- C5 H8 O5 Zn -","- C5 H8 O5 Zn -","- C20 H32 O20 Zn4 -","4","1","SK3044","Guo, Ming-Lin; Zhao, Yong-Nan","Poly[aqua-μ~3~-2,2-dimethylmalonato-zinc(II)]","Acta Crystallographica Section C","2006","62","11","m563","m565","10.1107/S0108270106041692","","","0.71073","MoKα","","0.0258","0.0215","","","0.0565","0.0592","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015659","8.5218","0.0006","14.0107","0.0011","17.4337","0.0014","99.743","0.007","99.712","0.007","105.197","0.007","1929.4","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","bis(μ~2~-aqua-d~2~)tetrakis(aqua-d~2~)dilithium(I) bis[bis(tri-tert-butoxysilanethiolato-κ^2^O,S)lithate(I)] dihydrate-d~2~","","- C48 H108 D16 Li4 O20 S4 Si4 -","- C48 H108 D16 Li4 O20 S4 Si4 -","- C48 H108 D16 Li4 O20 S4 Si4 -","1","0.5","SK3045","Magdalena Kloskowska; Jarosław Chojnacki; Wiesław Wojnowski; Barbara Becker","The first compound with an unusual type of anion, [Li(S<i>R</i>)~2~]^{‒^}: bis(μ~2~-aqua-<i>d</i>~2~)tetrakis(aqua-<i>d</i>~2~)dilithium(I) bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)lithate(I)] dihydrate-<i>d</i>~2~","Acta Crystallographica Section C","2006","62","11","m541","m544","10.1107/S0108270106041746","","","0.71073","MoKα","","0.051","0.0475","","","0.1164","0.1196","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015660","8.4443","0.0002","18.0873","0.0004","15.9154","0.0003","90","","90.333","0.0009","90","","2430.79","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly-[tetrakis(μ-acetato-<i>O</i>,<i>O</i>')- μ-1,3-bis(dimethylamino)-2-propanol-<i>N</i>,<i>N</i>'-dirhodium(II) tetrahydrofuran hemisolvate]","","- C17 H34 N2 O9.5 Rh2 -","- C17 H34 N2 O9.5 Rh2 -","- C68 H136 N8 O38 Rh8 -","4","1","SK3054","Pevec, Andrej; Alojz Demšar; Aoki, Katsuyuki; Turel, Iztok","<i>catena</i>-Poly[[[tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')dirhodium(II)]-μ-[1,3-bis(dimethylamino)propan-2-ol-κ^2^<i>N</i>:<i>N</i>']] tetrahydrofuran hemisolvate]","Acta Crystallographica Section C","2006","62","11","m545","m547","10.1107/S0108270106040972","","","0.71073","MoKα","","0.0661","0.0375","","","0.0692","0.0781","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015661","8.3437","0.0012","19.848","0.002","14.028","0.002","90","","120.685","0.01","90","","1997.8","0.5","150","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate","","- C12 H26 Cl2 F6 Fe N4 P -","- C12 H26 Cl2 F6 Fe N4 P -","- C48 H104 Cl8 F24 Fe4 N16 P4 -","4","1","SK3055","McClain II, James M.; Maples, Danny L.; Maples, Randall D.; Matz, Dallas L.; Harris, Sebastian M.; Nelson, Andrew D. L.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.","Dichloro(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)iron(III) hexafluorophosphate","Acta Crystallographica Section C","2006","62","11","m553","m555","10.1107/S0108270106040765","","","0.71073","MoKα","","","0.0408","","","","0.1167","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015662","21.969","0.0006","9.2901","0.0007","7.9642","0.0002","90","","106.216","0.002","90","","1560.78","0.13","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Nitrophenylacetic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","SK3059","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","3-Nitrophenylacetic acid: a three-dimensional hydrogen-bonded framework structure containing substructures in zero, one and two dimensions","Acta Crystallographica Section C","2006","62","11","o647","o649","10.1107/S0108270106039205","","","0.71073","MoKα","","0.054","0.0387","","","0.0987","0.1075","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015663","17.14","0.003","13.93","0.003","11.95","0.002","90","","109","0.03","90","","2697.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diiodozinc(II)-<i>μ</i>-4,4'-bipyridine-<i>k</i>^2^ <i>N</i>:<i>N</i>']","","- C10 H8 I2 N2 Zn -","- C10 H8 I2 N2 Zn -","- C80 H64 I16 N16 Zn8 -","8","2","SK3060","Le-Qing Fan; Ji-Huai Wu","<i>catena</i>-Poly[[diiodozinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2006","62","11","m548","m549","10.1107/S0108270106039965","","","0.71073","MoKα","","0.0608","0.0416","","","0.1216","0.1353","","","","","","1.036","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2015664","7.977","0.003","10.099","0.003","15.21","0.005","90","","104.075","0.011","90","","1188.5","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","propane-1,3-diammonium tetravanadate","","- C3 H12 N2 O10 V4 -","- C3 H12 N2 O10 V4 -","- C12 H48 N8 O40 V16 -","4","0.5","SK3063","Nicholas F. Stephens; Philip Lightfoot","A second polymorph of [H~3~N(CH~2~)~3~NH~3~][V~4~O~10~]","Acta Crystallographica Section C","2006","62","11","m566","m568","10.1107/S0108270106040777","","","0.71073","MoKα","","0.0279","0.0246","","","0.0575","0.0594","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015665","7.3955","0.0002","11.239","0.0003","11.7463","0.0003","104.505","0.001","106.052","0.001","95.888","0.001","892.73","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","tetrakis(3-aminopyridine)dichloro-bis(methanol)-μ2-suberato-dicobalt(II)","","- C30 H44 Cl2 Co2 N8 O6 -","- C30 H44 Cl2 Co2 N8 O6 -","- C30 H44 Cl2 Co2 N8 O6 -","1","0.5","SK3064","Lah, Nina; Leban, Ivan","A dimeric cobalt(II)‒suberate complex with 3-aminopyridine","Acta Crystallographica Section C","2006","62","11","m550","m552","10.1107/S0108270106040935","","","0.71069","MoKα","","0.0378","0.0308","","","0.0694","0.0724","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015666","6.9781","0.0006","12.7118","0.0013","14.1568","0.0014","90","","91.206","0.002","90","","1255.5","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","4,4'-bipyridinium poly[tetrachloromanganate(II)]","catena-Poly[4,4'-bipyridinium [[dichloromanganese(II)]-di-μ-chloro]]","","- C10 H10 Cl4 Mn N2 -","- C5 H5 Cl2 Mn0.5 N -","- C40 H40 Cl16 Mn4 N8 -","8","1","SQ3038","Li, Ming-Xue; Li, Su-Zhi","<i>catena</i>-Poly[4,4'-bipyridinium [[<i>cis</i>-dichloromanganese(II)]-di-μ-chloro]], a novel manganese(II) coordination polymer with 4,4'-bipyridinium","Acta Crystallographica Section C","2006","62","11","m525","m526","10.1107/S0108270106038108","","","0.71073","MoKα","","0.0154","0.0151","","","0.0439","0.0441","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015667","10.8944","0.0003","10.676","0.0003","11.0496","0.0003","90","","106.86","0.001","90","","1229.92","0.06","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquachloronitrato(2,2'-bipyridyl)copper(II)","","- C10 H10 Cl Cu N3 O4 -","- C10 H10 Cl Cu N3 O4 -","- C40 H40 Cl4 Cu4 N12 O16 -","4","1","AV3035","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(2,2'-bipyridyl)chloronitratocopper(II)","Acta Crystallographica Section C","2006","62","12","m574","m576","10.1107/S0108270106039734","","","0.71073","MoKα","","0.027","0.024","","","0.065","0.0664","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015668","10.531","0.005","10.274","0.006","11.012","0.005","90","","102.654","0.015","90","","1162.5","1","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(O-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^N,N')copper(II)","","- C18 H24 Cl4 Cu2 N4 O2 -","- C18 H24 Cl4 Cu2 N4 O2 -","- C36 H48 Cl8 Cu4 N8 O4 -","2","0.5","AV3037","Ri-Cheng Xuan; Min Xu; Dong-Ping Cheng","Dichloro(<i>O</i>-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m587","m589","10.1107/S0108270106041916","","","0.71073","MoKα","","","0.0229","","","","0.0582","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015669","7.8564","0.0008","7.9812","0.0008","10.1367","0.001","90","","111.862","0.005","90","","589.9","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-3-Oxocyclopentanecarboxylic acid","","- C6 H8 O3 -","- C6 H8 O3 -","- C24 H32 O12 -","4","1","AV3038","Malak, Muhammad H.; Baker, Daniel; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","(±)-3-Oxocyclopentanecarboxylic acid: the smallest keto acid known to aggregate by catemeric hydrogen bonding","Acta Crystallographica Section C","2006","62","12","o669","o670","10.1107/S0108270106041369","","","1.54178","CuKα","","0.038","0.037","","","0.092","0.093","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015670","12.952","0.003","14.489","0.003","4.5851","0.001","90","","90","","90","","860.4","0.3","173","2","","","","","","","","","","6","P n n m","-P 2 2n","58","","catena-poly[p-phenylenediammonium [[diiodolead(II)]-di-μ-iodo] dihydrate]","","- C6 H14 I4 N2 O2 Pb -","- C6 H14 I4 N2 O2 Pb -","- C12 H28 I8 N4 O4 Pb2 -","2","0.25","AV3041","Lemmerer, Andreas; Billing, David G.","Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra","Acta Crystallographica Section C","2006","62","12","m597","m601","10.1107/S0108270106039746","","","0.71073","MoKα","","","0.0319","","","","0.0814","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015671","30.1215","0.0019","4.6111","0.0003","20.4599","0.0012","90","","122.725","0.003","90","","2390.7","0.3","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[bis(3,5-dimethylanilinium) [[diiodolead(II)]-di-μ-iodo]]","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","0.5","AV3041","Lemmerer, Andreas; Billing, David G.","Two packing motifs based upon chains of edge-sharing PbI~6~ octahedra","Acta Crystallographica Section C","2006","62","12","m597","m601","10.1107/S0108270106039746","","","0.71073","MoKα","","","0.0238","","","","0.0503","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015672","29.641","0.0003","7.4132","0.0001","10.5656","0.0002","90","","92.109","0.001","90","","2320.06","0.06","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^O,O')copper(II)","","- C28 H26 Cu Fe2 O4 -","- C28 H26 Cu Fe2 O4 -","- C112 H104 Cu4 Fe8 O16 -","4","0.5","AV3044","Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m590","m593","10.1107/S0108270106041886","","","0.71073","MoKα","","0.0398","0.0324","","","0.0946","0.0998","","","","","","1.214","","","","has coordinates,has Fobs","208246","2020-10-21","18:00:00",""
"2015673","11.9182","0.0002","12.8881","0.0001","12.9097","0.0001","89.67","0.001","78.617","0.001","76.987","0.001","1892.49","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-diferrocenylpropane-1,3-dionateo-κ^2^O,O')copper(II)","","- C46 H38 Cu Fe4 O4 -","- C46 H38 Cu Fe4 O4 -","- C92 H76 Cu2 Fe8 O8 -","2","1","AV3044","Boyd, Peter D.W.; Johns, Paul M.; Rickard, Clifton E.F.","Bis(1-ferrocenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II) and bis(1,3-diferrocenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2006","62","12","m590","m593","10.1107/S0108270106041886","","","0.71073","MoKα","","0.0696","0.0479","","","0.1142","0.1265","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","208159","2020-10-21","18:00:00",""
"2015674","6.7039","0.0009","6.7039","0.0009","17.065","0.003","90","","90","","90","","766.9","0.2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Tetrapotassium cerium(IV) zirconium tetrakis(monophosphate)","","- Ce K4 O16 P4 Zr -","- Ce1.018 K4 O16 P4 Zr0.986 -","- Ce2.036 K8 O32 P8 Zr1.972 -","2","0.0625","BC3019","Ogorodnyk, Ivan V.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Shishkin, Oleg V.","A disordered cerium(IV) phosphate with a tunnel structure, K~4~CeZr(PO~4~)~4~","Acta Crystallographica Section C","2006","62","12","i100","i102","10.1107/S0108270106044519","","","0.71073","MoKα","","0.0337","0.0294","","","0.0785","0.0795","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015675","7.862","0.002","8.088","0.002","13.503","0.004","90","","90","","90","","858.6","0.4","93","2","93","2","","","","","","","","4","P m c n","-P 2n 2a","62","","Ammonium scandium tetrafluoride","","- F4 H4 N Sc -","- F4 H4 N Sc -","- F32 H32 N8 Sc8 -","8","1","BC3020","Nicholas F. Stephens; Philip Lightfoot","Ammonium scandium tetrafluoride","Acta Crystallographica Section C","2006","62","12","i103","i105","10.1107/S0108270106044520","","","0.71073","MoKα","","0.0435","0.0281","","","0.0908","0.1022","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015676","11.645","0.0002","15.149","0.0002","15.194","0.0002","90","","90","","90","","2680.38","0.07","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato- κ^2^O,O')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","","- C26 H34 Cd N2 O10 -","- C26 H34 Cd N2 O10 -","- C104 H136 Cd4 N8 O40 -","4","0.5","BG3020","E Yang; Rong-Qiang Zhuang; Jian-Xin Chen","<i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]","Acta Crystallographica Section C","2006","62","12","m612","m613","10.1107/S0108270106046038","","","0.71073","MoKα","","","0.0221","","","0.0663","0.0667","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015677","7.0301","0.0014","15.707","0.003","6.968","0.0014","90","","101.77","0.03","90","","753.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]","","- C5 H4 N2 O5 Pb -","- C5 H4 N2 O5 Pb -","- C20 H16 N8 O20 Pb4 -","4","1","BG3021","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","A three-dimensional lead(II) coordination polymer: poly[aqua-μ-imidazole-4,5-dicarboxylato-lead(II)]","Acta Crystallographica Section C","2006","62","12","m617","m619","10.1107/S0108270106046415","","","0.71073","MoKα","","0.0211","0.0198","","","0.0484","0.0492","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015678","5.9642","0.0019","11.715","0.004","10.853","0.004","90","","104.817","0.004","90","","733.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[5-(pyrazin-2-yl-κN^1^)-1H-tetrazolato-κN^1^]manganese(II)","","- C10 H10 Mn N12 O2 -","- C10 H10 Mn N12 O2 -","- C20 H20 Mn2 N24 O4 -","2","0.5","DN3026","Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)","Acta Crystallographica Section C","2006","62","12","m614","m616","10.1107/S010827010604457X","","","0.71073","MoKα","","0.0494","0.0448","","","0.1172","0.1204","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015679","6.0906","0.0018","11.456","0.003","10.686","0.003","90","","105.634","0.004","90","","718","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diaquabis[5-(pyrazin-2-yl-κN^1^)-1H-tetrazolato-κN^1^]zinc(II)","","- C10 H10 N12 O2 Zn -","- C10 H10 N12 O2 Zn -","- C20 H20 N24 O4 Zn2 -","2","0.5","DN3026","Jun Luo; Xin-Rong Zhang; Li-Li Cui; Wei-Quan Dai; Bao-Shu Liu","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]manganese(II) and diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)","Acta Crystallographica Section C","2006","62","12","m614","m616","10.1107/S010827010604457X","","","0.71073","MoKα","","0.0328","0.0272","","","0.07","0.0714","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015680","12.767","0.005","14.095","0.005","15.967","0.005","96.122","0.005","91.784","0.005","94.944","0.005","2843.9","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2- carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)","","- C58 H52 Cl2 Cr N3 O7 Sn2 -","- C58 H49 Cl2 Cr N3 O7 Sn2 -","- C116 H98 Cl4 Cr2 N6 O14 Sn4 -","2","1","FA3038","Guo-Hai Xu; Jian-Fang Ma; Ying-Ying Liu; Shun-Li Li","Chloro(μ-6-methylpyridine-2-carboxylato)bis(6-methylpyridine-2-carboxylato)triphenylchromium(III)tin(IV) chlorotriphenyltin(IV)","Acta Crystallographica Section C","2006","62","12","m581","m583","10.1107/S0108270106043484","","","0.71069","MoKα","","0.0506","0.0325","","","0.0659","0.0696","","","","","","0.881","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015681","8.8511","0.0001","28.6847","0.0004","11.9607","0.0002","90","","109.958","0.0006","90","","2854.34","0.07","295","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","tetrakis[hexaamminecobalt(III)] hexachlorodadmate(II) bis[aquatetrachlorothiocyanatocadmate(II)] dichloride dihydrate","","- C2 H80 Cd3 Cl16 Co4 N26 O4 S2 -","- C2 H80 Cd3 Cl16 Co4 N26 O4 S2 -","- C4 H160 Cd6 Cl32 Co8 N52 O8 S4 -","2","0.5","FA3042","Bala, Ritu; Sharma, Raj Pal; Sharma, Upendra; Ferretti, Valeria","The first X-ray structure of a hexaamminecobalt(III) salt with two different complex chlorocadmium anions: synthesis, characterization and crystal structure of [Co(NH~3~)~6~]~4~[CdCl~6~][CdCl~4~(SCN)(H~2~O)]~2~Cl~2~·2H~2~O","Acta Crystallographica Section C","2006","62","12","m628","m631","10.1107/S0108270106044398","","","0.71073","MoKα","","0.0501","0.038","","","0.0785","0.0825","","","","","","1.045","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2015682","4.632","0.001","16.456","0.005","11.483","0.003","90","","98.57","0.03","90","","865.5","0.4","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis(3-acetylpyridine-κN)diiodoplatinum(II)","","- C14 H14 I2 N2 O2 Pt -","- C14 H14 I2 N2 O2 Pt -","- C28 H28 I4 N4 O4 Pt2 -","2","0.5","FA3046","Christian Tessier; Fernande D. Rochon","<i>trans</i>-Bis(3-acetylpyridine-κ<i>N</i>)diiodoplatinum(II)","Acta Crystallographica Section C","2006","62","12","m620","m622","10.1107/S0108270106045197","","","0.71073","MoKα","","0.0568","0.0348","","","0.0706","0.0775","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015683","5.3573","0.0008","18.296","0.003","27.041","0.005","90","","90.753","0.008","90","","2650.3","0.8","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-(1,10-decamethylenedithio)TTF","2,7-Bis(2-cyanoethylsulfanyl)-3,6-(1,10-decamethylenedithio)tetrathiafulvalene","","- C22 H28 N2 S8 -","- C22 H28 N2 S8 -","- C88 H112 N8 S32 -","4","1","FA3047","Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.","<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene","Acta Crystallographica Section C","2006","62","12","o677","o680","10.1107/S0108270106041114","","","0.71073","MoKα","","0.1407","0.0539","","","0.0962","0.1153","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015684","7.8916","0.0004","26.1798","0.0016","12.9931","0.0008","90","","100.576","0.002","90","","2638.8","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-(1,10-decamethylenedithio)TTF","2,6-bis(2-cyanoethylsulfanyl)-3,7-(1,10-decamethylenedithio)tetrathiafulvalene","","- C22 H28 N2 S8 -","- C22 H28 N2 S8 -","- C88 H112 N8 S32 -","4","1","FA3047","Nygaard, Sune; Flood, Amar H.; Jeppesen, Jan O.; Bond, Andrew D.","<i>Cis</i>- and <i>trans</i>-bis(2-cyanoethylsulfanyl)(decane-1,10-diyldithio)tetrathiafulvalene","Acta Crystallographica Section C","2006","62","12","o677","o680","10.1107/S0108270106041114","","","0.71073","MoKα","","0.0765","0.0391","","","0.0887","0.0992","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015685","10.4324","0.0008","7.5565","0.0005","18.9837","0.0015","90","","102.641","0.007","90","","1460.26","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Methyl-1'-carboxy-1-ferrocenebutyrate","Methyl 4-(1'-carboxyferrocen-1-yl)butyrate","","- C16 H18 Fe O4 -","- C16 H18 Fe O4 -","- C64 H72 Fe4 O16 -","4","1","FA3052","Pavlović, Gordana; Barišić, Lidija; Čakić Semenčić, Mojca; Rapić, Vladimir","Methyl 4-(1'-carboxyferrocen-1-yl)butyrate","Acta Crystallographica Section C","2006","62","12","m610","m611","10.1107/S0108270106044490","","","0.71073","MoKα","","0.0422","0.0412","","","0.0892","0.0899","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015686","12.107","0.002","11.05","0.002","14.627","0.003","90","","92.42","0.03","90","","1955.1","0.6","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bba-py","7,7-dimethyl-7,8-dihydro-5H-dibenzo[e,i][1,4,8] triazacycloundecine-6,9,15(14H)-trione pyridine solvate","","- C23 H22 N4 O3 -","- C23 H22 N4 O3 -","- C92 H88 N16 O12 -","4","1","GA3020","Morris, James C.; Gordon-Wylie, Scott W.; Clark, George R.","7,7-Dimethyl-5<i>H</i>-dibenzo[<i>e</i>,<i>i</i>][1,4,8]triazacycloundecine-6,9,15(7<i>H</i>,8<i>H</i>,14<i>H</i>)-trione pyridine solvate","Acta Crystallographica Section C","2006","62","12","o674","o676","10.1107/S0108270106041242","","","0.71073","MoKα","","0.0496","0.0389","","","0.0935","0.0999","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015687","8.5002","0.0005","17.6318","0.001","18.2158","0.001","90","","97.744","0.001","90","","2705.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Donepezilium oxalate trihydrate","(R,S)-1-benzyl-4[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl] piperidinium hydrogen oxalate trihydrate","","- C26 H37 N O10 -","- C26 H37 N O10 -","- C104 H148 N4 O40 -","4","1","GA3028","K. Ravikumar; B. Sridhar; D. G. Sathe; A. V. Naidu; K. D. Sawant","Donepezilium oxalate trihydrate, a therapeutic agent for Alzheimer's disease","Acta Crystallographica Section C","2006","62","12","o681","o683","10.1107/S0108270106041187","","","0.71073","MoKα","","0.0511","0.043","","","0.1144","0.1216","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015688","9.5353","0.0006","10.2071","0.0006","20.7901","0.0012","79.198","0.001","79.645","0.001","78.257","0.001","1924.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-benzylidene-N,7-dimethyl-3-oxo-5-phenyl- 5H-1,3-thiazolo[3,2-a]pyrimidine-6(3H)-carboxamide","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C88 H76 N12 O8 S4 -","4","2","GA3031","B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide","Acta Crystallographica Section C","2006","62","12","o687","o690","10.1107/S0108270106046567","","","0.71073","MoKα","","0.0673","0.0534","","","0.1311","0.1413","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015689","5.1109","0.0009","9.5564","0.0016","20.503","0.003","97.594","0.003","93.371","0.003","101.755","0.003","968","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-benzylidene-N,7-dimethyl-3-oxo-5-phenyl- 5H-1,3-thiazolo[3,2-a]pyrimidine-6(3H)-carboxamide","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C44 H38 N6 O4 S2 -","2","1","GA3031","B. Sridhar; K. Ravikumar; Y. S. Sadanandam","Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide","Acta Crystallographica Section C","2006","62","12","o687","o690","10.1107/S0108270106046567","","","0.71073","MoKα","","0.0867","0.0673","","","0.1517","0.161","","","","","","1.282","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015690","7.9342","0.001","25.491","0.003","12.6874","0.0008","90","","97.639","0.008","90","","2543.3","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(thiazolidine-2-thione-κS^2^)gold(I) bis(4-chlorobenzenesulfonyl)amidate","","- C18 H18 Au Cl2 N3 O4 S6 -","- C18 H18 Au Cl2 N3 O4 S6 -","- C72 H72 Au4 Cl8 N12 O16 S24 -","4","1","GD3058","Jones, Peter G.; Friedrichs, Steffi","Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide","Acta Crystallographica Section C","2006","62","12","m623","m627","10.1107/S0108270106044143","","","0.71073","MoKα","","0.0561","0.0277","","","0.0486","0.0526","","","","","","0.832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015691","17.4002","0.0014","10.1254","0.001","17.1493","0.0018","90","","111.596","0.008","90","","2809.3","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(1-methylimidazolidine-2-thione-κS^2^)gold(I) bis(4-iodobenzenesulfonyl)amidate","","- C20 H24 Au I2 N5 O4 S4 -","- C20 H24 Au I2 N5 O4 S4 -","- C80 H96 Au4 I8 N20 O16 S16 -","4","0.5","GD3058","Jones, Peter G.; Friedrichs, Steffi","Secondary interactions in gold(I) complexes with thione ligands. 5. Two ionic compounds of the form bis(thione)gold(I) bis(4-halobenzenesulfonyl)amide","Acta Crystallographica Section C","2006","62","12","m623","m627","10.1107/S0108270106044143","","","0.71073","MoKα","","0.0412","0.0261","","","0.0448","0.0474","","","","","","0.893","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015692","5.8327","0.0002","7.0099","0.0009","17.8751","0.0004","90","","94.59","0.1","90","","728.51","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Phenylalanine‒4-nitrophenol (1/1)","(2S)-2-ammonio-3-phenylpropanoate‒4-nitrophenol (1/1)","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","GD3062","Rodrigues, V. H.; Costa, M. M. R. R.; Matos Gomes, E. de; Nogueira, E.; Belslsey, M. S","<small>L</small>-Phenylalanine‒4-nitrophenol (1/1)","Acta Crystallographica Section C","2006","62","12","o699","o701","10.1107/S0108270106049018","","","1.54184","CuKα","","0.0486","0.0423","","","0.1226","0.1397","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015693","8.371","0.001","9.351","0.001","29.554","0.003","90","","90","","90","","2313.4","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{4(S)-(Piperidin-1-ylcarbonyl)-4-[3- (trifluoromethyl)benzenesulfonamido]butyl}guanidinium chloride","","- C18 H27 Cl F3 N5 O3 S -","- C18 H27 Cl F3 N5 O3 S -","- C72 H108 Cl4 F12 N20 O12 S4 -","4","1","GG3050","Michaux, Catherine; Salvagnini, Claudio; Norberg, Bernadette; Marchand-Brynaert, Jacqueline; Wouters, Johan","{4(<i>S</i>)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor","Acta Crystallographica Section C","2006","62","12","o691","o693","10.1107/S0108270106047640","","","1.54178","CuKα","","0.0492","0.0459","","","0.1289","0.1324","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015694","7.853","0.0014","8.8695","0.0016","10.7901","0.0019","68.759","0.002","71.741","0.002","77.434","0.002","660.6","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Tetra-μ-chloro-1:2κ^4^Cl;1:3κ^4^Cl-dimethyl-2κC,3κC- tetrakis(tetrahydrofuran)-1κ^2^O,2κO,3κO-chromium(II)dizinc(II)","","- C18 H38 Cl4 Cr O4 Zn2 -","- C18 H38 Cl4 Cr O4 Zn2 -","- C18 H38 Cl4 Cr O4 Zn2 -","1","0.5","GZ3045","Kreisel, Kevin A.; Yap, Glenn P. A.; Theopold, Klaus H.","Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-dimethyl-2κ<i>C</i>,3κ<i>C</i>-tetrakis(tetrahydrofuran)-1κ^2^<i>O</i>,2κ<i>O</i>,3κ<i>O</i>-chromium(II)dizinc(II)","Acta Crystallographica Section C","2006","62","12","m569","m570","10.1107/S0108270106041783","","","0.71073","MoKα","","0.0239","0.0226","","","0.0581","0.0592","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015695","7.6342","0.0003","25.7404","0.001","7.2444","0.0003","90","","100.857","0.003","90","","1398.1","0.1","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methoxy-3-pyridylboronic acid","(2-Methoxy-3-pyridyl)boronic acid","","- C6 H8 B N O3 -","- C6 H8 B N O3 -","- C48 H64 B8 N8 O24 -","8","2","HJ3025","Dabrowski, Marek; Lulinski, Sergiusz; Serwatowski, Janusz; Szczerbinska, Magdalena","(2-Methoxy-3-pyridyl)boronic acid","Acta Crystallographica Section C","2006","62","12","o702","o704","10.1107/S0108270106048268","","","0.71073","MoKα","","0.0349","0.03","","","0.0885","0.0902","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015696","5.399","0.001","12.179","0.002","6.852","0.001","90","","106.37","0.03","90","","432.28","0.14","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","barium yttrium silicate","barium diyttrium triscilicate","","- Ba O10 Si3 Y2 -","- Ba O10 Si3 Y2 -","- Ba2 O20 Si6 Y4 -","2","0.5","IZ3015","Kolitsch, Uwe; Wierzbicka, Maria; Tillmanns, Ekkehart","BaY~2~Si~3~O~10~: a new flux-grown trisilicate","Acta Crystallographica Section C","2006","62","12","i97","i99","10.1107/S010827010604203X","","","0.71073","MoKα","","0.017","0.0159","","","0.0399","0.0403","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015697","13.7572","0.001","17.8992","0.0013","18.873","0.0014","88.043","0.001","72.829","0.001","75.128","0.001","4287.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis[tris(2,2'-bipyridine)iron(II)] tetraaquatetra-μ~4~oxo-pentacosa-μ~2~oxo-undecaoxoiron(III)dodecatungsten(VI) dihydrate","","- C60 H60 Fe3 N12 Na O46 W12 -","- C60 H48 Fe3 N12 Na O46 W12 -","- C120 H96 Fe6 N24 Na2 O92 W24 -","2","1","LN3017","Li, Ming-Xue; Ma, Peng-Tao; Wang, Jing-Ping","Bis[tris(2,2'-bipyridine)iron(II)] tetraaquasodium(I) dodecatungstoferrate(III) dihydrate","Acta Crystallographica Section C","2006","62","12","m604","m606","10.1107/S0108270106042508","","","0.71073","MoKα","","0.0721","0.0436","","","0.0857","0.095","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015698","7.852","0.002","20.795","0.002","9.987","0.003","90","","106.684","0.004","90","","1562.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4,4'-H2bipy)(CdBr4)","4,4'-Bipyridinium tetrabromocadmate(II)","","- C10 H10 Br4 Cd N2 -","- C10 H10 Br4 Cd N2 -","- C40 H40 Br16 Cd4 N8 -","4","1","LN3023","Wen-Tong Chen; Xi-Rui Zeng; Xiao-Niu Fang; Xin-Fa Li; Han-Mao Kuang","4,4'-Bipyridinium tetrabromocadmate(II) with strong fluorescence","Acta Crystallographica Section C","2006","62","12","m571","m573","10.1107/S010827010604131X","","","0.71073","MoKα","","0.081","0.0514","","","0.1232","0.137","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015699","6.8117","0.0004","7.4177","0.0004","8.6722","0.0004","109.167","0.002","105.528","0.003","103.121","0.003","374.15","0.04","295","","293","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[di-μ-chloro-κ^2^1:2-μ-1,5-dimethyl-1H-tetrazole- κ^2^N^3^:N^4^]copper(II)]","","- C3 H6 Cl2 Cu N4 -","- C3 H6 Cl2 Cu N4 -","- C6 H12 Cl4 Cu2 N8 -","2","1","LN3024","Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Oleg A.; Tiutiunnikov, Sergey I.; Efimov, Vadim V.","An X-ray powder investigation of <i>catena</i>-poly[copper(II)-di-μ-chloro-κ^4^1:2<i>Cl</i>-μ-1,5-dimethyl-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^]","Acta Crystallographica Section C","2006","62","12","m607","m609","10.1107/S0108270106043125","","","1.79021","CoKα","","","","","","","","","","0.76","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015700","14.786","0.004","15.816","0.004","13.879","0.003","98.15","0.02","109.047","0.019","114.12","0.02","2653.9","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","μ-[1,4-phenylenebis(phenylmethylidene-κC)]bis[(ethanol-κO)(5,10,15,20- tetra-p-tolylporphyrinato-κ^4^N)ruthenium(II)] 1,2-dichloroethane trisolvate","","- C126 H110 Cl6 N8 O2 Ru2 -","- C126 H110 Cl6 N8 O2 Ru2 -","- C126 H110 Cl6 N8 O2 Ru2 -","1","0.5","MY3011","Yuge, Hidetaka; Miyamoto, Takeshi Ken; Kikuchi, Tomofumi; Iwasaki, Yukihiro","The first metalloporphyrin dimer linked by a bridging phenylenedicarbene ligand","Acta Crystallographica Section C","2006","62","12","m594","m596","10.1107/S0108270106043472","","","0.71069","MoKα","","0.1029","0.0482","","","0.1186","0.1405","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015701","7.2409","0.0001","9.6351","0.0002","11.438","0.00001","87.815","0.001","71.7","0.001","74.844","0.001","730.44","0.019","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(di-2-pyridylamine-κ^2^N,N')(malonato-κ^2^O,O')copper(II) monohydrate","","- C13 H15 Cu N3 O6 -","- C13 H15 Cu N3 O6 -","- C26 H30 Cu2 N6 O12 -","2","1","SF3018","Youngme, Sujittra; Phatchimkun, Jaturong; Chaichit, Narongsak","Aqua(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate","Acta Crystallographica Section C","2006","62","12","m602","m603","10.1107/S0108270106042867","","","0.71073","MoKα","","0.0398","0.0342","","","0.0982","0.1013","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015702","7.2546","0.0006","9.4922","0.0008","19.4571","0.0016","90","","90","","90","","1339.86","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolinium hydrogen L-(+)-tartrate monohydrate","quinolinium hydrogen (2R),3R)-tartrate monohydrate","","- C13 H15 N O7 -","- C13 H15 N O7 -","- C52 H60 N4 O28 -","4","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0391","0.0354","","","0.0855","0.0879","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015703","4.973","0.0012","10.446","0.003","11.655","0.004","100.95","0.005","98.903","0.006","106.388","0.005","556.2","0.3","130","2","130","2","","","","","","","","4","P 1","P 1","1","quinaldic acid-L-(+)-tartaric acid (2/1)","bis(quinolinium-2-carboxylate) (2R,3R)-tartaric acid","","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","- C24 H20 N2 O10 -","1","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0422","0.0415","","","0.1046","0.1051","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015704","11.8781","0.0018","7.2993","0.001","16.088","0.002","90","","96.353","0.005","90","","1386.3","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-3-ferrocenyl-5-methyl-1H-pyrazole","","- C16 H16 Fe N2 O -","- C16 H16 Fe N2 O -","- C64 H64 Fe4 N8 O4 -","4","1","SK3053","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2006","62","12","m577","m580","10.1107/S0108270106043599","","","0.7107","MoKα","","0.0371","0.034","","","0.0766","0.0784","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015705","7.479","0.0015","8.929","0.0018","24.942","0.003","90","","94.84","0.03","90","","1659.7","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-5-ferrocenyl-3-(2-pyridyl)-1H-pyrazole","","- C20 H17 Fe N3 O -","- C20 H17 Fe N3 O -","- C80 H68 Fe4 N12 O4 -","4","1","SK3053","Yao-Cheng Shi; Bei-Bei Zhu; Chun-Xia Sui","1-Acetyl-3-ferrocenyl-5-methyl-1<i>H</i>-pyrazole and 1-acetyl-5-ferrocenyl-3-(2-pyridyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2006","62","12","m577","m580","10.1107/S0108270106043599","","","0.71073","MoKα","","0.0666","0.0461","","","0.0997","0.109","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015706","4.7858","0.0007","9.2295","0.0015","25.447","0.003","87.469","0.012","89.288","0.011","89.931","0.012","1122.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-Hydroxy-3-(3-oxobutyl)-naphthalene-1,4-dione","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","2","SK3066","Nasiri, Hamid Reza; Madej, M. Gregor; Lancaster, C. Roy D.; Schwalbe, Harald; Bolte, Michael","2-Hydroxy-3-(3-oxobutyl)naphthalene-1,4-dione","Acta Crystallographica Section C","2006","62","12","o671","o673","10.1107/S0108270106042211","","","0.71073","MoKα","","0.1123","0.0873","","","0.2544","0.2819","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015707","5.8107","0.0002","13.6635","0.0003","15.4507","0.0005","90","","90","","90","","1226.7","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-threo-3-hydroxy-1,2-diphenylpropionic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","SK3072","Stomberg, Rolf; Langer, Vratislav; Lundquist, Knut","2,3-Diaryl-3-hydroxypropionic acid intermediates in the synthesis of <i>threo</i> forms of 1,2-diaryl-1,3-propanediols","Acta Crystallographica Section C","2006","62","12","o684","o686","10.1107/S0108270106046026","","","0.71073","MoKα","","0.0472","0.0354","","","0.0812","0.0891","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015708","8.1558","0.0005","8.1558","0.0005","26.171","0.004","90","","90","","120","","1507.6","0.3","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","zinc hydrogen borate oxide","zinc hydrogen borate oxide","","- B3 H O11 Zn6 -","- B3 H O11 Zn6 -","- B18 H6 O66 Zn36 -","6","0.166667","SQ3040","Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.","Proton-stabilized three-dimensional anionic framework in H[Zn~6~O~2~(BO~3~)~3~]","Acta Crystallographica Section C","2006","62","12","i106","i108","10.1107/S0108270106041023","","","0.71073","MoKα","","0.0207","0.0193","","","0.0432","0.0435","","","","","","1.253","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015709","10.023","0.003","13.084","0.003","12.317","0.003","90","","102.328","0.004","90","","1578","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-N,N'-Bis[3-(dimethylamino)propyl]oxamidato(2-)- κ^6^N,N',O':N'',N''',O}bis[(1H-imidazole-κN^3^)(methanol-κO)copper(II)] bis(perchlorate)","","- C20 H40 Cl2 Cu2 N8 O12 -","- C20 H40 Cl2 Cu2 N8 O12 -","- C40 H80 Cl4 Cu4 N16 O24 -","2","0.5","SQ3043","Fen Sun; Yan-Tuan Li; Zhi-Yong Wu; Yu-Lan Song; Man Jiang","{μ-<i>N</i>,<i>N</i>'-Bis[3-(dimethylamino)propyl]oxamidato(2‒)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>':<i>N</i>'',<i>N</i>''',<i>O</i>}bis[(1<i>H</i>-imidazole-κ<i>N</i>^3^)(methanol-κ<i>O</i>)copper(II)] bis(perchlorate)","Acta Crystallographica Section C","2006","62","12","m584","m586","10.1107/S0108270106042624","","","0.71073","MoKα","","0.0758","0.0446","","","0.1017","0.1173","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015710","6.001","0.002","13.91","0.003","15.862","0.003","90","","94.989","0.005","90","","1319","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carbonitrile","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","SQ3047","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate","Acta Crystallographica Section C","2006","62","12","o705","o708","10.1107/S010827010604844X","","","0.71073","MoKα","","0.0707","0.0454","","","0.1129","0.1284","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015711","8.273","0.002","9.313","0.002","13.881","0.003","73.376","0.007","82.308","0.006","72.856","0.007","977.8","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile acetonitrile solvate","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C44 H38 N6 O4 -","2","1","SQ3047","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","5-Acetyl-2-amino-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile and 2-amino-5-benzoyl-6-methyl-4-phenyl-4<i>H</i>-pyran-3-carbonitrile acetonitrile solvate","Acta Crystallographica Section C","2006","62","12","o705","o708","10.1107/S010827010604844X","","","0.71073","MoKα","","0.0639","0.0435","","","0.1176","0.1326","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015712","5.6035","0.0011","8.9812","0.0018","12.119","0.002","86.31","0.03","77.38","0.03","77.56","0.03","581.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Poly[[di-μ~3~-acetato-di-μ~2~-aqua-diaqua-di-μ~3~-hydroxo-tricopper(II)] 1,5-naphthalenedisulfonate]","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","SQ3048","Kong, Li-Li; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[di-μ~3~-acetato-di-μ~2~-aqua-diaqua-di-μ~3~-hydroxo-tricopper(II)] naphthalene-1,5-disulfonate]","Acta Crystallographica Section C","2006","62","12","m632","m634","10.1107/S0108270106046944","","","0.71073","MoKα","","0.0209","0.0193","","","0.0522","0.0528","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"9011391","10.3273","","10.3273","","37.098","","90","","90","","120","","3426.53","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca8.424 Na1.16 O28 P7 V -","- Ca8.424 Na1.16 O28 P7 V -","- Ca50.544 Na6.96 O168 P42 V6 -","6","0.333333","","Tsirlin, A. A.; Dikarev, E. V.; Shpanchenko, R. V.; Antipov, E. V.","A new whitlockite, Ca8.42Na1.16V(PO4)7","Acta Crystallographica, Section C","2006","62","","i13","i15","10.1107/S0108270105039041","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""