# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T15:09:42+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41' 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
"1501612","17.2392","0.0003","17.2392","0.0003","17.3495","0.0003","90","","90","","90","","5156.1","0.16","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C47 H64 N8 O8 -","- C47 H60 N8 O8 -","- C188 H240 N32 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1357","0.1089","","","0.2813","0.3059","","","","","","1.265","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501613","17.7201","0.0006","17.7201","0.0006","16.0845","0.0007","90","","90","","90","","5050.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C55 H80 N4 O8 -","- C48 H56 N4 O8 -","- C192 H224 N16 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1946","0.1022","","","0.2493","0.2888","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504753","24.631","0.007","24.631","0.007","7.397","0.003","90","","90","","90","","4488","3","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl) -2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol","","- C20 H40 O2 Si -","- C20 H40 O2 Si -","- C160 H320 O16 Si8 -","8","1","","Corbu, Andrei; Perez, Manuel; Aquino, Maurizio; Retailleau, Pascal; Arseniyadis, Simeon","Total synthesis and structural confirmation of ent-galbanic acid and marneral.","Organic letters","2008","10","13","2853","2856","10.1021/ol8010216","","","0.71069","MoKα","","0.0669","0.0416","","","0.0868","0.0982","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504773","17.532","0.005","17.532","0.005","14.212","0.008","90","","90","","90","","4368","3","173","2","173","2","","","","","","","","5","I 41","I 4bw","80","N-((R)-1-phenylethyl)-2-(4,5,6,7-tetrafluoro-1, 3-dioxoisoindolin-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide","","","- C24 H18 F4 N2 O3 -","- C24 H18 F4 N2 O3 -","- C192 H144 F32 N16 O24 -","8","1","","Ishihara, Kazuaki; Nakano, Kazuhiko; Akakura, Matsujiro","Organocatalytic enantioselective Diels-Alder reaction of dienes with alpha-(N,N-Diacylamino)acroleins.","Organic letters","2008","10","13","2893","2896","10.1021/ol8011277","","","0.71073","MoKα","","0.0478","0.0376","","","0.0914","0.0976","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509600","4.998","","4.998","","36.725","","90","","90","","90","","917.391","","","","","","","","","","","","","4","I 41","I 4bw","80","","Ag (In0.75 Ag0.25)2 (Mo O4)3","","- Ag1.5 In1.5 Mo3 O12 -","- Ag1.5 In1.5 Mo3 O12 -","- Ag6 In6 Mo12 O48 -","4","0.5","","Solodovnikov, S.F.; Klevtsov, P.V.; Perepelitsa, A.P.; Klevtsova, R.F.","The crystal structure and thermal stability of Ag In (Mo O4)2","Kristallografiya","1984","29","","701","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509921","14.1924","","14.1924","","8.7997","","90","","90","","90","","1772.47","","","","","","","","","","","","","3","I 41","I 4bw","80","","Ag3 (Bi O3)","","- Ag3 Bi O3 -","- Ag3 Bi O3 -","- Ag48 Bi16 O48 -","16","2","","Jansen, M.; Bortz, M.","Ag3BiO3 und Ag5BiO4, die ersten Silberoxobismutate(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1446","1454","10.1002/zaac.19936190821","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515338","12.1481","0.0003","12.1481","0.0003","10.9626","0.0004","90","","90","","90","","1617.82","0.08","193","","193","","","","","","","","","3","I 41","I 4bw","80","","","","- C20 H11 N5 -","- C20 H11 N5 -","- C80 H44 N20 -","4","0.5","","Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko","Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines","Polymer Chemistry","2012","3","6","1427","","10.1039/c2py20079a","","","1.54187","CuKα","","0.0473","0.0456","","","0.1193","0.1205","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517884","23.5023","0.0011","23.5023","0.0011","25.182","0.0012","90","","90","","90","","13909.5","1.1","100","","100","","","","","","","","","5","I 41","I 4bw","80","","","","- C36 H18 B F18 N -","- C36 H18 B F18 N -","- C576 H288 B16 F288 N16 -","16","2","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0852","0.0628","","","","0.1952","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1521519","12.49687","","12.49687","","11.24558","","90","","90","","90","","1756.24","","","","","","","","","","","","","3","I 41","I 4bw","80","","Bi34.16 W5.84 O67.68","","- Bi34.16 O67.68 W5.84 -","- Bi34.16 O67.68 W5.84 -","- Bi34.16 O67.68 W5.84 -","1","0.125","","Ling, C.D.","Structural relationships among bismuth-rich phases in the (Bi2 O3)-(Nb2 O5), (Bi2 O3)-(Ta2 O5), (Bi2 O3-Mo O3), and (Bi2 O3)-(W O3) systems","Journal of Solid State Chemistry","1999","148","","380","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","141731","2020-10-21","18:00:00",""
"1524791","4.223","","4.223","","14.208","","90","","90","","90","","253.382","","","","","","","","","","","","","2","I 41","I 4bw","80","","Ce3 Ge5","","- Ce2.76923 Ge4.30769 -","- Ce2.76923 Ge4.30769 -","- Ce36 Ge56 -","13","1.625","","Lambert-Andron, B.; Hippert, F.; Houssay, E.; Madar, R.; Pierre, J.; Auffret, S.","Crystal structure and properties of tetragonal Ce Ge1.6","Journal of the Less-Common Metals","1990","167","","53","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","145625","2020-10-21","18:00:00",""
"1525538","20.338","","20.338","","14.668","","90","","90","","90","","6067.19","","","","","","","","","","","","","3","I 41","I 4bw","80","","Sr3 (Fe F6)2","","- F0.666667 Fe2 Sr3 -","- F0.666667 Fe2 Sr3 -","- F16 Fe48 Sr72 -","24","3","","von der Muehll, R.","Structure cristalline de la phase Sr3 (Fe F6)2","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1974","278","","713","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","146539","2020-10-21","18:00:00",""
"1527712","12.669","","12.669","","14.208","","90","","90","","90","","2280.44","","","","","","","","","","","","","2","I 41","I 4bw","80","","","","- Ce3 Ge4.7 -","- Ce3 Ge4.66667 -","- Ce36 Ge56 -","12","1.5","","Lambert-Andron, B.; Houssay, E.; Madar, R.; Hippert, F.; Pierre, J.; Auffret, S.","Crystal structure and properties of tetragonal Ce Ge1.6","Journal of the Less-Common Metals","1990","167","","53","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531949","12.513","","12.513","","11.231","","90","","90","","90","","1758.5","","","","","","","","","","","","","3","I 41","I 4bw","80","","Bi0.875 W0.125 O1.688","","- Bi0.875 O1.688 W0.125 -","- Bi0.875 O1.688 W0.125 -","- Bi35 O67.52 W5 -","40","5","","Nespolo, M.; Watanabe, A.; Suetsugu, Y.","Re-investigation of the structure of 7(Bi2 O3) * 2(W O3) by single-crystal X-ray diffraction","Crystal Research and Technology","2002","37","","414","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","157547","2020-10-21","18:00:00",""
"1537320","3.4517","","3.4517","","11.68","","90","","90","","90","","139.158","","","","","","","","","","","","","2","I 41","I 4bw","80","","Nb As","","- As Nb -","- As Nb -","- As4 Nb4 -","4","0.5","","Furuseth, S.; Kjekshus, A.","Arsenides and Antimonides of Niobium","Nature (London)","1964","203","","512","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1555541","19.7536","0.0013","19.7536","0.0013","9.0366","0.0007","90","","90","","90","","3526.1","0.4","100","2","100","2","","","","","","","","3","I 41","I 4bw","80","","","","- C20 H27 O3.5 -","- C20 H26 O3.5 -","- C160 H208 O28 -","8","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0791","0.0759","","","0.2215","0.2266","","","","","","1.083","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1560716","11.85","0.002","11.85","0.002","13.084","0.002","90","","90","","90","","1837.3","0.5","296","2","296","2","","","","","","","","5","I 41","I 4bw","80","","","","- C8 H12 Cu2 N17 O4 -","- C8 H12 Cu2 N17 O4 -","- C32 H48 Cu8 N68 O16 -","4","0.5","","Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia","Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships","Journal of Solid State Chemistry","2018","268","","55","61","10.1016/j.jssc.2018.08.030","","","0.71073","MoKα","","0.0625","0.0544","","","0.1314","0.1376","","","","","","1.091","","","","has coordinates","262310","2021-02-27","11:00:49",""
"1565225","30.491","0.008","30.491","0.009","15.224","0.004","90","","90","","90","","14154","7","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C60 H96 Cl2 Cu4 N4 O17 -","- C60 H96 Cl2 Cu4 N4 O17 -","- C480 H768 Cl16 Cu32 N32 O136 -","8","1","","Dasgupta, Sanchari; Mandal, Arnab; Samanta, Debabrata; Zangrando, Ennio; Maity, Suvendu; Das, Debasis","Catalytic promiscuity of a copper(II)-Mannich base complex having unprecedented radical pathway in catecholase activity","Inorganica Chimica Acta","2020","505","","119480","","10.1016/j.ica.2020.119480","","","0.71073","MoKα","","0.1014","0.0619","","","0.1485","0.1736","","","","","","1.033","","","","has coordinates,has disorder","270658","2021-11-15","10:38:58",""
"1567195","16.549","0.0014","16.549","0.0014","12.4563","0.0012","90","","90","","90","","3411.4","0.5","190","","190","","","","","","","","","5","I 41","I 4bw","80","","","","- C12 H6 N6 S Zn -","- C12 H6 N6 S Zn -","- C96 H48 N48 S8 Zn8 -","8","1","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.34139","GaKα","","0.077","0.0718","","","0.1839","0.1932","","","","","","1.093","","","","has coordinates","277100","2022-08-06","11:42:31",""
"1569850","13.632","0.004","13.632","0.004","17.507","0.006","90","","90","","90","","3253.4","1.8","153","2","153","","","","","","","","","4","I 41","I 4bw","80","","<i>N</i>,<i>N</i>'-[1,4-Phenylenebis(iminocarbonyl)]bis(<i>L</i>-phenylalanine) tetrahydrofuran disolvate","","- C34 H42 N4 O8 -","- C34 H42 N4 O8 -","- C136 H168 N16 O32 -","4","0.5","BH4077","Stapf, Manuel; Schwarzer, Anke","N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate","IUCrData","2023","8","9","","","10.1107/S2414314623007435","","","0.71073","MoKα","","0.0446","0.0395","","","0.1014","0.1067","","","","","","1.053","","","","has coordinates,has disorder","286290","2023-09-09","01:48:41",""
"1570769","10.8836","0.0004","10.8836","0.0004","47.541","0.005","90","","90","","90","","5631.4","0.7","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","copper tetraisopropylporphyrin dichloromethane solvate","","- C130 H148 Cl4 Cu4 N16 -","- C130 H148 Cl4 Cu4 N16 -","- C260 H296 Cl8 Cu8 N32 -","2","0.25","","Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G.","Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy.","Chemical science","2024","15","7","2380","2390","10.1039/d3sc05774g","","","1.54178","CuKα","","0.0468","0.0408","","","0.1104","0.1165","","","","","","1.04","","","","has coordinates,has disorder","290132","2024-03-04","20:04:02",""
"2012950","9.7451","0.0003","9.7451","0.0003","14.1764","0.0006","90","","90","","90","","1346.29","0.08","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","1,1'-di(hydrazinoethanoyl)2,2'-biimidazole monohydrate","","- C10 H16 N8 O3 -","- C10 H16 N8 O3 -","- C40 H64 N32 O12 -","4","0.5","SK1568","Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.","1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole","Acta Crystallographica Section C","2002","58","9","o565","o567","10.1107/S0108270102013458","","","0.71073","MoKα","","0.037","0.0316","","0.0798","","0.0767","","","1.118","","","1.139","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013047","18.511","0.005","18.511","0.005","15.698","0.006","90","","90","","90","","5379","3","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","[SP-4-4]-(R)-[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]chloro(pyridine- κN)palladium(II)","","- C13 H15 Cl N2 Pd -","- C13 H15 Cl N2 Pd -","- C208 H240 Cl16 N32 Pd16 -","16","2","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.071","0.046","","","0.1","0.11","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020426","9.8572","0.0009","9.8572","0.0009","10.7595","0.0009","90","","90","","90","","1045.44","0.16","295","2","295","2","","","","","","","","5","I 41","I 4bw","80","<i>catena</i>-Poly[[diaquasodium(I)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- [diaquairon(III)]-μ-oxalato-\ κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","","- C4 H8 Fe Na O12 -","- C4 H8 Fe Na O12 -","- C16 H32 Fe4 Na4 O48 -","4","0.5","LY3026","Benhacine, Mohamed Al Amine; Hamadène, Malika; Bouacida, Sofiane; Merazig, Hocine","The new one-dimensional coordination polymer <i>catena</i>-poly[[diaquasodium(I)]-μ-oxalato-[diaquairon(III)]-μ-oxalato]","Acta Crystallographica Section C","2016","72","3","243","250","10.1107/S2053229616002953","","","0.71073","MoKα","","0.0378","0.0285","","","0.0535","0.0563","","","","","","0.975","","","","has coordinates,has Fobs","177098","2020-10-21","18:00:00",""
"2104157","21.1698","0.0018","21.1698","0.0018","16.059","0.003","90","","90","","90","","7197","1.6","100","2","100","2","","","","","","","","4","I 41","I 4bw","80","Octakis(trivinylsilyl)octasilicate","","","- C48 H72 O20 Si16 -","- C48 H72 O20 Si16 -","- C192 H288 O80 Si64 -","4","0.5","WS5065","Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R.","Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate","Acta Crystallographica Section B","2008","64","3","330","337","10.1107/S0108768108010227","","","0.71073","MoKα","","0.1067","0.0597","","","0.1168","0.1367","","","","","","0.963","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104686","12.5576","0.0004","12.5576","0.0004","11.274","0.0007","90","","90","","90","","1777.83","0.14","298","2","298","2","","","","","","","","3","I 41","I 4bw","80","","Bismuth Tungsten Oxide","","- Bi35.66 O66.51 W4.34 -","- Bi35.66 O66.512 W4.34 -","- Bi35.66 O66.512 W4.34 -","1","0.125","BP5029","Sharma, Neeraj; Macquart, Rene B.; Avdeev, Maxim; Christensen, Mogens; McIntyre, Garry J.; Chen, Yu-Sheng; Ling, Chris D.","Re-investigation of the structure and crystal chemistry of the Bi~2~O~3~‒W~2~O~6~ `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction","Acta Crystallographica Section B","2010","66","2","165","172","10.1107/S0108768110001874","","neutron","","neutron","","0.276","0.18","","","0.2228","0.2276","","","","","","6.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2108297","15.0197","0.0004","15.0197","0.0004","12.8791","0.0006","90","","90","","90","","2905.41","0.17","297","2","297","2","","","","","","","","4","I 41","I 4bw","80","","","","- C15 H11 I N4 -","- C15 H11 I N4 -","- C120 H88 I8 N32 -","8","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0408","0.0353","","","0.0799","0.083","","","","","","1.058","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2204673","11.4345","0.0007","11.4345","0.0007","9.8068","0.0012","90","","90","","90","","1282.22","0.19","295","2","295","2","","","","","","","","4","I 41","I 4bw","80","Diphenyltellurium dibromide","Dibromodiphenyltellurium","","- C12 H10 Br2 Te -","- C12 H10 Br2 Te -","- C48 H40 Br8 Te4 -","4","0.5","DN6177","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra","Dibromodiphenyltellurium(IV)","Acta Crystallographica Section E","2004","60","12","o2511","o2512","10.1107/S1600536804028284","","","0.71073","MoKα","","0.0314","0.0287","","","0.0693","0.07","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2212337","11.5777","0.0008","11.5777","0.0008","16.2234","0.0008","90","","90","","90","","2174.6","0.2","291","1","291","1","","","","","","","","3","I 41","I 4bw","80","","(S)-(-)-2,2'-Bis(2-methylallyloxy)-1,1'-binaphthyl","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","0.5","RZ2101","Ricken, Stefan; Angelovski, Goran; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(<i>S</i>)-(‒)-2,2'-Bis(2-methylallyloxy)-1,1'-binaphthyl","Acta Crystallographica Section E","2007","63","2","o551","o552","10.1107/S1600536806055498","","","0.71073","MoKα","","0.0677","0.0273","","","0.0536","0.0571","","","","","","0.876","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216290","12.3477","0.0008","12.3477","0.0008","14.7379","0.001","90","","90","","90","","2247","0.3","300","2","300","2","","","","","","","","5","I 41","I 4bw","80","","Tris(2,2'-bi-1H-imidazole)cadmium(II) carbonate","","- C19 H18 Cd N12 O3 -","- C19 H18 Cd N12 O3 -","- C76 H72 Cd4 N48 O12 -","4","0.5","BT2579","Minna Cao; Bo Hu; Feihua Luo; Cuixia Cheng; Zongqiu Hu","Tris(2,2'-bi-1<i>H</i>-imidazole)cadmium(II) carbonate","Acta Crystallographica Section E","2007","63","12","m2927","m2927","10.1107/S1600536807054888","","","0.71073","MoKα","","0.0537","0.0429","","","0.106","0.1324","","","","","","1.173","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218468","12.9873","0.0005","12.9873","0.0005","8.3679","0.0003","90","","90","","90","","1411.41","0.09","150","","150","","","","","","","","","3","I 41","I 4bw","80","","1-Deoxy-D-arabinitol","","- C5 H12 O4 -","- C5 H12 O4 -","- C40 H96 O32 -","8","1","LH2622","Jenkinson, Sarah F.; Cruz, Filipa P.; Booth, Kathrine V.; Fleet, George W. J.; Izumori, Ken; Yu, Chu-Yi; Watkin, David J.","1-Deoxy-<small>D</small>-arabinitol","Acta Crystallographica Section E","2008","64","6","o1010","o1011","10.1107/S1600536808012555","","","0.71073","MoKα","","0.0486","0.0432","","0.1234","0.1195","0.1234","","","","","","0.9984","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2221628","11.7167","0.0009","11.7167","0.0009","14.583","0.002","90","","90","","90","","2002","0.4","298","2","298","2","","","","","","","","3","I 41","I 4bw","80","","2,2'-Bis(allyloxy)-1,1'-binaphthyl","","- C26 H22 O2 -","- C26 H22 O2 -","- C104 H88 O8 -","4","0.5","CI2788","Ge, Jia-Zhen; Li, Hui","2,2'-Bis(allyloxy)-1,1'-binaphthyl","Acta Crystallographica Section E","2009","65","5","o1179","","10.1107/S1600536809015815","","","0.71073","MoKα","","0.0534","0.0368","","","0.0888","0.0954","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228225","11.2426","0.0002","11.2426","0.0002","16.1043","0.0003","90","","90","","90","","2035.52","0.06","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","calcium neodymium ruthenate","","- Ca4.175 Nd6.825 O24 Ru4 -","- Ca4.174 Nd6.826 O24 Ru4 -","- Ca16.696 Nd27.304 O96 Ru16 -","4","0.5","BR2148","Sakakura, Terutoshi; Okada, Keita; Iguchi, Hironaga; Wang, Jun; Ishizawa, Nobuo","(Ca~<i>x~</i>Nd~11-<i>x~</i>)Ru~4~O~24~ (<i>x</i> = 4.175)","Acta Crystallographica Section E","2010","66","12","i80","","10.1107/S1600536810046593","","","0.71073","MoKα","","0.0235","0.0212","","","0.0452","0.0467","","","","","","1.077","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2233011","11.6548","0.0012","11.6548","","13.9171","0.0015","90","","90","","90","","1890.4","0.3","113","2","113","2","","","","","","","","4","I 41","I 4bw","80","","<i>rac</i>-<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-(1,1'-binaphthyl- 2,2'-diyl)diformamide","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","0.5","XU5377","Zeng, Jing; Ng, Seik Weng","<i>rac</i>-<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-(1,1'-binaphthyl-2,2'-diyl)diformamide","Acta Crystallographica Section E","2011","67","12","o3227","","10.1107/S160053681104640X","","","0.7107","MoKα","","0.039","0.0375","","","0.0996","0.1009","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4020282","20.153","0.003","20.153","0.003","14.202","0.002","90","","90","","90","","5767.8","1.4","93","2","93","2","","","","","","","","6","I 41","I 4bw","80","","","","- C23 H22 Br4 Cl3 N4 O4.5 -","- C23 H22 Br4 Cl3 N4 O4.5 -","- C184 H176 Br32 Cl24 N32 O36 -","8","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022537","20.437","0.004","20.437","0.0004","16.81","0.003","90","","90","","90","","7021","1.9","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","calixarene","","","- C30 H31 F3 O5 -","- C30 H31 F3 O5 -","- C240 H248 F24 O40 -","8","1","","Noa Seri; Samah Simaan; Mark Botoshansky; Menahem Kaftory; Silvio E. Biali","A Conformationally Flexible Tetrahydroxycalix[4]arene Adopting the Unusual 1,3-Alternate Conformation","Journal of Organic Chemistry","2003","68","","7140","7142","10.1021/jo034874q","","","0.71073","MoKα","","0.255","0.1638","","","0.3796","0.4081","","","","","","2.122","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4027099","20.639","0.011","20.639","0.011","13.164","0.007","90","","90","","90","","5607","5","298","2","298","2","","","","","","","","6","I 41","I 4bw","80","","","","- C26 H31 Br N2 O9 S -","- C26 H31 Br N2 O9 S -","- C208 H248 Br8 N16 O72 S8 -","8","1","","Qi-Xiang Guo; Yu-Wan Liu; Xing-Cheng Li; Ling-Zhi Zhong; Yun-Gui Peng","Enantioselective and Solvent-Controlled Diastereoselective Mannich Reaction of Isatin Imines with Hydroxyacetone: Synthesis of 3-Substituted 3-Aminooxindoles","Journal of Organic Chemistry","2012","77","","3589","3594","10.1021/jo202585w","","","0.71073","MoKα","","0.0955","0.0552","","","0.1588","0.1922","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4034416","16.4812","0.0002","16.4812","0.0002","16.0775","0.0003","90","","90","","90","","4367.13","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C192 H240 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0278","0.0272","","0.0696","0.0689","0.0696","","","","","","1.0029","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034417","16.4674","0.0002","16.4674","0.0002","15.659","0.0004","90","","90","","90","","4246.33","0.13","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C184 H224 N16 O40 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0284","0.0277","","0.0713","0.0706","0.0713","","","","","","1.0023","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034418","16.3993","0.0002","16.3993","0.0002","15.9819","0.0003","90","","90","","90","","4298.12","0.11","150","","150","","","","","","","","","4","I 41","I 4bw","80","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C184 H224 N16 O48 -","8","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0292","0.0287","","0.0806","0.0799","0.0806","","","","","","1.0153","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4060454","14.498","0.0017","14.498","0.0017","52.767","0.003","90","","90","","90","","11091.2","1.9","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C40 H72 Al2 N6 O7 Si4 -","- C40 H72 Al2 N6 O7 Si4 -","- C320 H576 Al16 N48 O56 Si32 -","8","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.","Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate","Organometallics","2005","24","9","2124","2128","10.1021/om049254+","","","0.71073","MoKα","","0.3304","0.1155","","","0.2932","0.3987","","","","","","1.059","","","","has coordinates","209049","2020-10-21","18:00:00",""
"4063564","19.2067","0.001","19.2067","0.001","25.478","0.003","90","","90","","90","","9398.8","1.3","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C56 H47 Ir N4 O2 -","- C56 H47 Ir N4 O2 -","- C448 H376 Ir8 N32 O16 -","8","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Aryl C‒Br and C‒I Bond Cleavage by Iridium(III) Porphyrin: Reduction of IrIII‒OH to IrIIfor Metalloradical Ipso Substitution of Aryl‒Halogen Bonds","Organometallics","2011","30","16","4269","","10.1021/om200251k","","","0.71073","MoKα","","0.0409","0.0288","","","0.0603","0.0655","","","","","","1.044","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4067622","14.9916","0.001","14.9916","0.001","11.1077","0.0005","90","","90","","90","","2496.4","0.3","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","2,6-bis[1-(2,4,6-trimethylphenylimino)-2,2,2-trifluoroethyl]pyridine","","- C27 H25 F6 N3 -","- C27 H25 F6 N3 -","- C108 H100 F24 N12 -","4","0.5","","Zhu, Di; Janssen, Femke F. B. J.; Budzelaar, Peter H. M.","(Py)2Co(CH2SiMe3)2As an Easily Accessible Source of “CoR2”","Organometallics","2010","29","8","1897","","10.1021/om901045s","","","0.71073","MoKα","","0.0455","0.0358","","0.0853","0.0809","0.0853","","","1.074","","","1.074","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4071578","19.0287","0.0005","19.0287","0.0005","16.3448","0.001","90","","90","","90","","5918.3","0.4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C14 H17 I N2 Pt -","- C14 H17 I N2 Pt -","- C224 H272 I16 N32 Pt16 -","16","2","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0506","0.0376","","","0.0756","0.0804","","","","","","1.072","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071579","18.99","0.003","18.99","0.003","17.965","0.006","90","","90","","90","","6479","3","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C15 H19 I N2 Pt -","- C15 H19 I N2 Pt -","- C240 H304 I16 N32 Pt16 -","16","2","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.1033","0.054","","","0.095","0.1101","","","","","","0.993","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071580","19.091","0.003","19.091","0.003","16.95","0.003","90","","90","","90","","6177.7","1.8","130","2","130","2","","","","","","","","6","I 41","I 4bw","80","","","","- C14 H16 F I N2 Pt -","- C14 H16 F I N2 Pt -","- C224 H256 F16 I16 N32 Pt16 -","16","2","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0367","0.0311","","","0.0751","0.0782","","","","","","1.005","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4074167","28.4903","0.0014","28.4903","0.0014","14.7397","0.0016","90","","90","","90","","11964.2","1.5","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C64 H65 N4 O Rh Si -","- C64 H63 N4 O Rh Si -","- C512 H504 N32 O8 Rh8 Si8 -","8","1","","Zhang, Lirong; Chan, Kin Shing","Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls","Organometallics","2006","25","20","4822","","10.1021/om0604472","","","0.71073","MoKα","","0.1901","0.0888","","","0.221","0.3125","","","","","","1.034","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4079383","19.7843","0.001","19.7843","0.001","10.6175","0.001","90","","90","","90","","4155.9","0.5","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C14 H28 I2 P2 Pt -","- C14 H28 I2 P2 Pt -","- C112 H224 I16 P16 Pt8 -","8","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0287","0.0269","","","0.0586","0.0597","","","","","","0.983","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4101053","17.5448","0.0003","17.5448","0.0003","15.1596","0.0004","90","","90","","90","","4666.43","0.17","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","","","- C21 H28 N2 O7 -","- C21 H28 N2 O7 -","- C168 H224 N16 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056762h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104053","22.7482","0.0003","22.7482","0.0003","13.0168","0.0003","90","","90","","90","","6735.9","0.2","298","2","298","2","","","","","","","","4","I 41","I 4bw","80","Zinc imidazolate 3D framework","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","2","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","","0.71073","MoKα","","0.0524","0.0382","","","0.0516","0.054","","","","","","0.9","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4110757","20.4678","0.0014","20.4678","0.0014","15.804","0.002","90","","90","","90","","6620.8","1.1","90","","90","","","","","","","","","5","I 41","I 4bw","80","","","","- C117 H46 N Sc3 Si2 -","- C117 H46 N Sc3 Si2 -","- C468 H184 N4 Sc12 Si8 -","4","0.5","","Takatsugu Wakahara; Yuko Iiduka; Ozora Ikenaga; Tsukasa Nakahodo; Akihiro Sakuraba; Takahiro Tsuchiya; Yutaka Maeda; Masahiro Kako; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase","Characterization of the Bis-Silylated Endofullerene Sc3N@C80","Journal of the American Chemical Society","2006","128","","9919","9925","10.1021/ja062233h","","","0.71073","MoKα","","0.1501","0.1474","","","0.3787","0.3804","","","","","","1.11","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4115409","14.573","0.002","14.5731","","14.953","0.002","90","","90","","90","","3175.6","0.6","296.2","","","","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H42 Fe N4 O8 -","- C32 H42 Fe N4 O8 -","- C128 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0515","","","","0.0365","","","","","","3.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117168","17.455","0.003","17.4548","","25.971","0.006","90","","90","","90","","7913","2","23","","23","","","","","","","","","9","I 41","I 4bw","80","","","","- C72 H60 Br2 Cl8 Mo2 N4 O4 P4 Pd2 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","- C288 H240 Br8 Cl32 Mo8 N16 O16 P16 Pd8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.029","","","0.027","","","","","2.09","2.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117170","17.407","0.002","17.4071","","25.798","0.003","90","","90","","90","","7816.9","1.3","23","","23","","","","","","","","","8","I 41","I 4bw","80","","","","- C72 H60 Cl10 Mo2 N4 O4 P4 Pt2 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","- C288 H208 Cl40 Mo8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Hiroshi Nakano; Akira Nakamura","Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X2M...Mo-Mo...MX2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt; X = Cl, Br, I)","Journal of the American Chemical Society","1996","118","","9083","9095","10.1021/ja960606g","","","0.7107","MoKalpha","","","0.028","","","0.031","","","","","1.1","1.1","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117997","18.2294","0.0004","18.2294","0.0004","7.0465","0.0003","90","","90","","90","","2341.63","0.12","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H15 Cl O3 -","- C11 H15 Cl O3 -","- C88 H120 Cl8 O24 -","8","1","","Jinhua Huang; Jessica R. Yang; Jin Zhang; Jiong Yang","Total Synthesis of the Potent cAMP Signaling Agonist (-)-Alotaketal A","Journal of the American Chemical Society","2012","134","","8806","8809","10.1021/ja303529z","","","1.54178","CuKα","","0.0414","0.039","","","0.0962","0.0974","","","","","","1.077","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4122677","31.285","0.006","31.285","0.006","16.399","0.004","90","","90","","90","","16051","6","120","2","120","2","","","","","","","","4","I 41","I 4bw","80","","","","- C228 H84 O16 P4 -","- C228 H84 O16 P4 -","- C912 H336 O64 P16 -","4","0.5","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.073","0.0569","","","0.133","0.1399","","","","","","1.162","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4128173","37.0495","0.0015","37.0495","0.0015","14.6013","0.0006","90","","90","","90","","20042.7","1.4","100","2","100","2","","","","","","","","6","I 41","I 4bw","80","","","","- C50 H48.5 Cl4 Mn N9 O8 -","- C50 H46.5 Cl4 Mn N9 O8 -","- C800 H744 Cl64 Mn16 N144 O128 -","16","2","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.71073","MoKα","","0.1112","0.0826","","","0.2053","0.2268","","","","","","1.02","","","","has coordinates","221311","2020-10-21","18:00:00",""
"4132543","39.74","0.001","39.74","0.001","56.261","0.002","90","","90","","90","","88851","4","100","0.1","100","0.1","","","","","","","","5","I 41","I 4bw","80","","","","- C178 H138 N8 O38 Tb6 -","- C174 H102 N6 O32 Tb6 -","- C1392 H816 N48 O256 Tb48 -","8","1","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.143","0.1404","","","0.3705","0.3748","","","","","","2.467","","","","has coordinates,has disorder","242509","2020-10-21","18:00:00",""
"4306702","10.2395","0.0006","10.2395","0.0006","38.832","0.003","90","","90","","90","","4071.4","0.5","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","","","- Nb2 O10 Rb2 Si2 -","- Nb2 O10 Rb2 Si2 -","- Nb32 O160 Rb32 Si32 -","16","2","","Jhen-Ming Tasi; Po-Tao Tu; Ting-Shan Chan; Kwang-Hwa Lii","Synthesis and Characterization of Open-Framework Niobium Silicates: Rb2(Nb2O4)(Si2O6).H2O and the Dehydrated Phase Rb2(Nb2O4)(Si2O6)","Inorganic Chemistry","2008","47","","11223","11227","10.1021/ic801525d","","","0.71073","MoKα","","0.0322","0.0272","","","0.059","0.0608","","","","","","1.055","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4313467","16.8491","0.0013","16.8491","0.0013","37.35","0.003","90","","90","","90","","10603.4","1.4","170","2","170","2","","","","","","","","4","I 41","I 4bw","80","Pyridylbenzimidazolium-Yttrium-Pyridylbenzimidazolate","(2-(Pyridyl-)Benzimidazolium)-Tetra-(2-(Pyridyl-)Benzimidazolate-Yttrium(III)","","- C60 H42 N15 Y -","- C60 H42 N15 Y -","- C480 H336 N120 Y8 -","8","1","","Klaus Müller-Buschbaum; Catharina C. Quitmann","Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu","Inorganic Chemistry","2003","42","","2742","2750","10.1021/ic020681u","","","0.71073","MoKα","","0.1267","0.0521","","","0.0826","0.1012","","","","","","0.853","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313468","16.8303","0.0007","16.8303","0.0007","37.243","0.002","90","","90","","90","","10549.4","0.8","170","2","173","2","","","","","","","","4","I 41","I 4bw","80","Pyridylbenzimidazolium-Ytterbium-Pyridylbenzimidazolate","(2-(Pyridyl-)Benzimidazolium)-Tetra-(2-(Pyridyl-)Benzimidazolate-Ytte rbium(III)","","- C60 H42 N15 Yb -","- C60 H42 N15 Yb -","- C480 H336 N120 Yb8 -","8","1","","Klaus Müller-Buschbaum; Catharina C. Quitmann","Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu","Inorganic Chemistry","2003","42","","2742","2750","10.1021/ic020681u","","","0.71073","MoKα","","0.0677","0.0469","","","0.1188","0.1286","","","","","","0.987","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313469","16.901","0.002","16.901","0.002","37.595","0.004","90","","90","","90","","10739","2","103","2","103","2","","","","","","","","4","I 41","I 4bw","80","","[Di-(2-(Pyridyl-)Benzimidazolato)-Di-(2-(Pyridyl-)Benzimidazole-Samar ium(III)]-[Samarium(III)-Tetra-(2-(Pyridyl-)Benzimidazolate]","","- C120 H84 N30 Sm2 -","- C120 H84 N30 Sm2 -","- C480 H336 N120 Sm8 -","4","0.5","","Klaus Müller-Buschbaum; Catharina C. Quitmann","Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu","Inorganic Chemistry","2003","42","","2742","2750","10.1021/ic020681u","","","0.71073","MoKα","","0.1174","0.0497","","","0.1007","0.1171","","","","","","0.856","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313470","16.8589","0.0009","16.8589","0.0009","37.6","0.003","90","","90","","90","","10686.8","1.2","170","2","170","2","","","","","","","","4","I 41","I 4bw","80","","[Di-(2-(Pyridyl-)Benzimidazolato)-Di-(2-(Pyridyl-)Benzimidazole-Europ ium(III)]-[Europium(III)-Tetra-(2-(Pyridyl-)Benzimidazolate]","","- C120 H84 Eu2 N30 -","- C120 H84 Eu2 N30 -","- C480 H336 Eu8 N120 -","4","0.5","","Klaus Müller-Buschbaum; Catharina C. Quitmann","Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu","Inorganic Chemistry","2003","42","","2742","2750","10.1021/ic020681u","","","0.71073","MoKα","","0.0983","0.0601","","","0.1235","0.1379","","","","","","0.967","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4326121","16.4536","0.0012","16.4536","0.0012","40.86","0.003","90","","90","","90","","11061.7","1.4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C120 H100 N12 O20 Zn8 -","- C120 H100 N12 O20 Zn8 -","- C480 H400 N48 O80 Zn32 -","4","0.5","","Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij","Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis","Inorganic Chemistry","2011","50","","7934","7936","10.1021/ic201064d","","","0.71073","MoKα","","0.0422","0.0308","","","0.0763","0.0837","","","","","","1.024","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4333123","19.268","0.002","19.268","0.004","28.587","0.004","90","","90","","90","","10613","3","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C100 H88 Cl8 O16 P8 W4 -","- C100 H88 Cl8 O16 P8 W4 -","- C400 H352 Cl32 O64 P32 W16 -","4","0.5","","Jimtaisong, Ampa; Luck, Rudy L.","Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2","Inorganic Chemistry","2006","45","25","10391","10402","10.1021/ic061455d","","x-ray","0.71069","MoKα","","0.0564","0.0379","","","0.0916","0.099","","","","","","1.028","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4337896","17.809","0.002","17.809","0.002","27.08","0.008","90","","90","","90","","8589","3","200","2","200","2","","","","","","","","5","I 41","I 4bw","80","","","","- C48 H30 N5 O Zn -","- C48 H30 N5 O Zn -","- C384 H240 N40 O8 Zn8 -","8","1","","Jiang, Jiaxun; Fang, Xianshi; Liu, Baozhen; Hu, Chuanjiang","m-Phthalic Diamide-Linked Zinc Bisporphyrinate: Spontaneous Resolution of Its Crystals and Its Application in Chiral Recognition of Amino Acid Esters.","Inorganic chemistry","2014","53","7","3298","","10.1021/ic401949e","","","0.71073","MoKα","","0.1395","0.088","","","0.2257","0.2506","","","","","","0.995","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4341865","28.8989","0.0016","28.8989","0.0016","10.9722","0.0008","90","","90","","90","","9163.4","1","120","2","120","2","","","","","","","","6","I 41","I 4bw","80","","","","- C88 H78 Au4 F18 O2 P8 -","- C88 H78 Au4 F18 O2 P8 -","- C352 H312 Au16 F72 O8 P32 -","4","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.043","0.0316","","","0.0744","0.0774","","","","","","1.044","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4345422","17.8219","0.0004","17.8219","0.0004","19.9154","0.0007","90","","90","","90","","6325.5","0.3","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C48 H68 Na4 O36 U4 -","- C48 H68 Na4 O36 U4 -","- C192 H272 Na16 O144 U16 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0512","0.0328","","","0.0829","0.0882","","","","","","0.941","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4345608","23.621","0.005","23.621","0.005","62.101","0.005","90","0.005","90","0.005","90","0.005","34649","11","110","2","110","2","","","","","","","","5","I 41","I 4bw","80","","","","- C144 H128 Mn4 N32 Nb2 -","- C144 H128 Mn4 N32 Nb2 -","- C1152 H1024 Mn32 N256 Nb16 -","8","1","","Arczyński, Mirosław; Rams, Michał; Stanek, Jan; Fitta, Magdalena; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","A Family of Octahedral Magnetic Molecules Based on [Nb(IV)(CN)8](4).","Inorganic chemistry","2017","56","7","4021","4027","10.1021/acs.inorgchem.6b03134","","","0.71073","MoKα","","0.0922","0.0844","","","0.226","0.2352","","","","","","1.063","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4345609","22.9169","0.0001","22.9169","0.0001","62.7877","0.0008","90","","90","","90","","32975.1","0.5","110","2","110","2","","","","","","","","5","I 41","I 4bw","80","","","","- C144 H128 Fe4 N32 Nb2 -","- C144 H128 Fe4 N32 Nb2 -","- C1152 H1024 Fe32 N256 Nb16 -","8","1","","Arczyński, Mirosław; Rams, Michał; Stanek, Jan; Fitta, Magdalena; Sieklucka, Barbara; Dunbar, Kim R.; Pinkowicz, Dawid","A Family of Octahedral Magnetic Molecules Based on [Nb(IV)(CN)8](4).","Inorganic chemistry","2017","56","7","4021","4027","10.1021/acs.inorgchem.6b03134","","","1.54184","CuKα","","0.1142","0.0663","","","0.1737","0.1956","","","","","","1.008","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4348071","22.261","0.003","22.261","0.003","32.92","0.007","90","","90","","90","","16314","5","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C58 H40 Cd2 N12 O8 -","- C58 H40 Cd2 N12 O8 -","- C464 H320 Cd16 N96 O64 -","8","1","","Liu, Xiao-Jing; Zhang, Ying-Hui; Chang, Ze; Li, Ai-Lin; Tian, Dan; Yao, Zhao-Quan; Jia, Yan-Yuan; Bu, Xian-He","A Water-Stable Metal-Organic Framework with a Double-Helical Structure for Fluorescent Sensing.","Inorganic chemistry","2016","55","15","7326","7328","10.1021/acs.inorgchem.6b00935","","","0.71073","MoKα","","0.0998","0.0621","","","0.1288","0.1424","","","","","","0.992","","","","has coordinates","232722","2020-10-21","18:00:00",""
"4348613","18.057","0.004","18.057","0.004","22.425","0.006","90","","90","","90","","7312","3","93","2","93","2","","","","","","","","5","I 41","I 4bw","80","","","","- C39.5 H21 F10 Ga N5 -","- C39.5 H21 F10 Ga N5 -","- C316 H168 F80 Ga8 N40 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.0619","0.048","","","0.1212","0.1289","","","","","","1.025","","","","has coordinates,has disorder","233185","2020-10-21","18:00:00",""
"4502999","31.3812","0.0003","31.3812","0.0003","14.7005","0.0001","90","","90","","90","","14476.8","0.2","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C58 H83 Cl2.5 N28 O25 -","- C58 H71 Cl2.544 N28 O25.234 -","- C464 H568 Cl20.352 N224 O201.872 -","8","1","","Danylyuk, Oksana; Fedin, Vladimir P.","Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril","Crystal Growth & Design","2012","12","2","550","","10.1021/cg2013914","","","0.71073","MoKα","","0.0676","0.0592","","","0.1446","0.1505","","","","","","1.088","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4508551","19.386129","0.000027","19.386129","","34.86739","0.00008","90","","90","","90","","13103.9","0.04","300","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 K15 Mo5 O15 -","- F15 K15 Mo5 O15 -","- F240 K240 Mo80 O240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508552","20.07484","0.00004","20.07484","","36.16937","0.00012","90","","90","","90","","14576.2","0.06","","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 Mo5 O15 Rb15 -","- F15 Mo5 O15 Rb15 -","- F240 Mo80 O240 Rb240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4509205","18.119","0.005","18.119","0.005","12.935","0.005","90","","90","","90","","4247","2","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","","","- C14 H10 Cu O5 -","- C14 H10 Cu O5 -","- C112 H80 Cu8 O40 -","8","1","","Feng, Lu; Chen, Zhenxia; Liao, Tengbiao; Li, Peng; Jia, Yu; Liu, Xiaofeng; Yang, Yongtai; Zhou, Yaming","Supramolecular Isomerism of Metal−Organic Frameworks Derived from a Bicarboxylate Linker with Two Distinct Binding Motifs","Crystal Growth & Design","2009","9","3","1505","","10.1021/cg801026y","","","0.71073","MoKα","","0.0885","0.0809","","","0.2045","0.2087","","","","","","1.102","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4511183","18.966","0.0007","18.966","0.0007","13.9262","0.001","90","","90","","90","","5009.4","0.4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C53 H51 Mn3 N4 O14 -","- C53 H49 Mn3 N4 O14 -","- C212 H196 Mn12 N16 O56 -","4","0.5","","Mukherjee, Sudarshana; Lan, Yanhua; Kostakis, George E.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Influence of Water Ligands on Structural Diversity: From a One-Dimensional Linear Coordination Polymer to Three-Dimensional Ferrimagnetic Diamondoid Metal−Organic Frameworks","Crystal Growth & Design","2009","9","1","577","","10.1021/cg800879c","","","0.71073","MoKα","","0.0611","0.0582","","","0.1403","0.1424","","","","","","1.037","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4516260","12.2365","0.0008","12.2365","0.0008","24.574","0.003","90","","90","","90","","3679.5","0.6","100","2","100","2","","","","","","","","3","I 41","I 4bw","80","Melamine","","","- C13 H20 N12 -","- C13 H20 N12 -","- C104 H160 N96 -","8","1","","Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin","Solvent Dependent Structures of Melamine: Porous or Nonporous?","Crystal Growth & Design","2015","15","4","1871","","10.1021/acs.cgd.5b00039","","","0.71073","MoKα","","0.1036","0.1025","","","0.1758","0.1954","","","","","","1.981","","","","has coordinates","231214","2020-10-21","18:00:00",""
"7012343","26.629","0.004","26.629","0.004","7.506","0.002","90","","90","","90","","5322.5","1.8","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C10 H18 Cl2 Cu N2 O -","- C10 H18 Cl2 Cu N2 O -","- C160 H288 Cl32 Cu16 N32 O16 -","16","2","","Pulacchini, Sonia; Sibbons, Kevin F.; Shastri, Kirtida; Motevalli, Majid; Watkinson, Michael; Wan, Hayley; Whiting, Andrew; Lightfoot, Andrew P.","Synthesis of C2-symmetric aza- and azaoxa-macrocyclic ligands derived from (1R,2R)-1,2-diaminocyclohexane and their applications in catalysisBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.","Dalton Transactions","2003","","10","2043","","10.1039/b210285d","","x-ray","0.71073","MoKα","","0.2418","0.0923","","","0.1524","0.1971","","","","","","1.108","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7024462","22.5999","0.0008","22.5999","0.0008","13.0994","0.0005","90","","90","","90","","6690.6","0.4","150","0.2","298","","","","","","","","","5","I 41","I 4bw","80","","","","- C24 H24 N16 O0 Zn4 -","- C24 H24 N16 Zn4 -","- C192 H192 N128 Zn32 -","8","1","","Martins, Gesley A. V.; Byrne, Peter J.; Allan, Phoebe; Teat, Simon J.; Slawin, Alexandra M. Z.; Li, Yang; Morris, Russell E.","The use of ionic liquids in the synthesis of zinc imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1758","1762","10.1039/b917348j","","","0.7749","synchrotron","","0.0417","0.0397","","","0.1238","0.1251","","","","","","1.039","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7025485","20.413","0.003","20.413","0.003","40.992","0.008","90","","90","","90","","17081","5","173","2","173","2","","","","","","","","7","I 41","I 4bw","80","","","","- C322 H293 F96 Fe8 N53 O11 P16 -","- C322 H287 F96 Fe8 N53 O11 P16 -","- C644 H574 F192 Fe16 N106 O22 P32 -","2","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Mix and match: templating chiral Schiff base ligands to suit the needs of the metal ion.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5332","5340","10.1039/c001145b","","","0.71073","MoKα","","0.0481","0.0461","","","0.1188","0.1204","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7025920","29.3102","0.0004","29.3102","0.0004","15.2712","0.0006","90","","90","","90","","13119.3","0.6","123","2","123","2","","","","","","","","7","I 41","I 4bw","80","","","","- C104 H72 B4 F16 Mn6 N16 O16 -","- C104 H72 B4 F16 Mn6 N16 O16 -","- C416 H288 B16 F64 Mn24 N64 O64 -","4","0.5","","Langley, Stuart K.; Chilton, Nicholas F.; Massi, Massimiliano; Moubaraki, Boujemaa; Berry, Kevin J.; Murray, Keith S.","Synthesis and characterization of homo- and heterovalent tetra- hexa- hepta- and decanuclear manganese clusters using pyridyl functionalized beta-diketone, carboxylate and triethanolamine ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7236","7249","10.1039/c0dt00054j","","","0.71073","MoKα","","0.1082","0.0852","","","0.2254","0.2451","","","","","","0.965","","","","has coordinates,has disorder","179965","2020-10-21","18:00:00",""
"7033577","16.688","0.007","16.688","0.007","17.36","0.014","90","","90","","90","","4835","5","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C52 H45 Eu N8 O16 -","- C52 H44 Eu N8 O16 -","- C208 H176 Eu4 N32 O64 -","4","0.5","","Shi, Bingbing; Zhong, Yuanhao; Guo, Lili; Li, Gang","Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal-organic frameworks for luminescence sensing of benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4362","4369","10.1039/c4dt03326d","","","0.71073","MoKα","","0.0696","0.0482","","","0.1226","0.1442","","","","","","1.021","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033578","16.614","0.0004","16.614","0.0004","17.3352","0.001","90","","90","","90","","4784.9","0.3","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C52 H45 N8 O16 Tb -","- C52 H45 N8 O16 Tb -","- C208 H180 N32 O64 Tb4 -","4","0.5","","Shi, Bingbing; Zhong, Yuanhao; Guo, Lili; Li, Gang","Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal-organic frameworks for luminescence sensing of benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4362","4369","10.1039/c4dt03326d","","","0.71073","MoKα","","0.042","0.0316","","","0.0723","0.0755","","","","","","1.009","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7035339","17.8413","0.0002","17.8413","0.0002","27.0941","0.0005","90","","90","","90","","8624.4","0.2","220","2","220","2","","","","","","","","5","I 41","I 4bw","80","","","","- C97 H62 Cu2 N10 O2 -","- C97 H62 Cu2 N10 O2 -","- C388 H248 Cu8 N40 O8 -","4","0.5","","Fang, Xianshi; Han, Zhen; Xu, Chenglong; Li, Xiaohong; Wang, Yong; Hu, Chuanjiang","Discrimination between alkyl and aryl substituents of chiral monoamines by m-phthalic diamide-linked zinc bisporphyrinates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12511","12515","10.1039/c5dt01767j","","","1.54178","CuKα","","0.0521","0.0479","","","0.1279","0.1327","","","","","","1.034","","","","has coordinates,has disorder","143680","2020-10-21","18:00:00",""
"7039485","26.286","0.0012","26.286","0.0012","44.3921","0.0015","90","","90","","90","","30673","2","291","2","291.15","","","","","","","","","6","I 41","I 4bw","80","","","","- C126 H137 Co4 Dy4 N11 O62 -","- C122 H101 Co4 Dy4 N11 O48 -","- C976 H808 Co32 Dy32 N88 O384 -","8","1","","She, Shixiong; Li, Yahong; Li, Wu","Two 3d-4f double helical chains including [Dy2M2]n (M = Ni(II) and Co(II)) cores exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10830","10835","10.1039/c6dt00951d","","","0.71073","MoKα","","0.0348","0.0222","","","0.0452","0.0467","","","","","","0.866","","","","has coordinates","185349","2020-10-21","18:00:00",""
"7039486","26.277","0.0012","26.277","0.0012","44.411","0.0015","90","","90","","90","","30665","2","291","2","291.15","","","","","","","","","6","I 41","I 4bw","80","","","","- C126 H137 Dy4 N11 Ni4 O62 -","- C122 H101 Dy4 N11 Ni4 O48 -","- C976 H808 Dy32 N88 Ni32 O384 -","8","1","","She, Shixiong; Li, Yahong; Li, Wu","Two 3d-4f double helical chains including [Dy2M2]n (M = Ni(II) and Co(II)) cores exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10830","10835","10.1039/c6dt00951d","","","0.71073","MoKα","","0.0618","0.0336","","","0.0688","0.0797","","","","","","1.005","","","","has coordinates","185349","2020-10-21","18:00:00",""
"7042923","16.2418","0.0002","16.2418","0.0002","25.6069","0.0006","90","","90","","90","","6755","0.2","120","","120","","","","","","","","","6","I 41","I 4bw","80","","","","- C32 H32 Cl4 Cr2 N6 O2 -","- C32 H32 Cl4 Cr2 N6 O2 -","- C256 H256 Cl32 Cr16 N48 O16 -","8","1","","Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan","Magneto-structural correlations in a family of dialkoxo bridged chromium dimers","Dalton Trans.","2017","","","","","10.1039/C7DT01197K","","x-ray","1.54178","CuKα","","0.0858","0.0739","","","0.1952","0.2107","","","","","","1.044","","","","has coordinates,has disorder","196569","2020-10-21","18:00:00",""
"7054992","10.6396","0.0006","10.6396","0.0006","13.8377","0.0008","90","","90","","90","","1566.44","0.15","284","2","284","2","","","","","","","","3","I 41","I 4bw","80","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","0.5","","Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Huang, Po-Jui; Hou, Ruei-Jhih; Wang, Jeh-Jeng","A sequential one-pot approach to 1,2,4,5-tetrasubstituted-2H-imidazole synthesis from disubstituted alkynes","New J. Chem.","2015","39","9","6914","","10.1039/C5NJ00959F","","x-ray","0.71073","MoKα","","0.0763","0.0689","","","0.2026","0.2158","","","","","","1.066","","","","has coordinates","155223","2020-10-21","18:00:00",""
"7057247","18.0029","0.0003","18.0029","0.0003","26.178","0.0004","90","","90","","90","","8484.4","0.2","90","0.5","90","0.5","","","","","","","","7","I 41","I 4bw","80","","","","- C16.92 H30.72 Cl3 N4 O Ru S -","- C14 H24 Cl3 N4 O Ru S -","- C224 H384 Cl48 N64 O16 Ru16 S16 -","16","2","","Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.","Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study","New Journal of Chemistry","2018","42","9","6858","","10.1039/C7NJ03267F","","","0.71073","MoKα","","0.035","0.0296","","","0.0686","0.0706","","","","","","1.06","","","","has coordinates","230434","2020-10-21","18:00:00",""
"7061315","15.311","0.004","15.311","0.004","18.692","0.007","90","","90","","90","","4382","2","200","2","200","2","","","","","","","","6","I 41","I 4bw","80","","","","- C21 H15 Cl4 Cu N O3 -","- C21 H15 Cl4 Cu N O3 -","- C168 H120 Cl32 Cu8 N8 O24 -","8","1","","Kumar, Sunil; Choudhary, Mukesh","Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease","New Journal of Chemistry","2022","46","10","4911","4926","10.1039/D2NJ00283C","","","1.54178","CuKα","","0.0528","0.052","","","0.1446","0.1461","","","","","","1.189","","","","has coordinates","275005","2022-05-05","20:42:16",""
"7105399","16.1249","0.0003","16.1249","0.0003","19.506","0.0009","90","","90","","90","","5071.8","0.3","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C56 H40 Ho2 Na2 O16 -","- C56 H40 Ho2 Na2 O16 -","- C224 H160 Ho8 Na8 O64 -","4","0.5","","Majeed, Zeeshan; Mondal, Kartik C.; Kostakis, George E.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[LnNa(PhCO2)4] (Ln = Ho, Dy): the first examples of chiral srs 3D networks constructed using the monotopic benzoate ligand","Chemical Communications (Cambridge, United Kingdom)","2010","46","15","2551","2553","10.1039/b923998g","","","0.71073","MoKα","","0.0284","0.0243","","","0.052","0.0532","","","","","","1.039","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7105400","16.1379","0.0015","16.1379","0.0015","19.5507","0.0019","90","","90","","90","","5091.6","0.8","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C56 H40 Dy2 Na2 O16 -","- C56 H40 Dy2 Na2 O16 -","- C224 H160 Dy8 Na8 O64 -","4","0.5","","Majeed, Zeeshan; Mondal, Kartik C.; Kostakis, George E.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[LnNa(PhCO2)4] (Ln = Ho, Dy): the first examples of chiral srs 3D networks constructed using the monotopic benzoate ligand","Chemical Communications (Cambridge, United Kingdom)","2010","46","15","2551","2553","10.1039/b923998g","","","0.71073","MoKα","","0.0498","0.0427","","","0.0997","0.1035","","","","","","1.062","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7117317","17.4485","0.0002","17.4485","0.0002","16.711","0.0003","90","","90","","90","","5087.67","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C240 H240 N16 O32 -","8","1","","Jianlin Zhang; Yulong Zhang; Lili Lin; Qian Yao; Xiaohua Liu; Xiaoming Feng","Catalytic asymmetric desymmetrization of N-arylmaleimides: efficient construction of both atom chirality and axial chirality","Chem.Commun.","2015","51","","10554","","10.1039/C5cc03203B","","x-ray","1.54184","CuKα","","0.0559","0.0544","","","0.1461","0.1487","","","","","","1.028","","","","has coordinates","139321","2020-10-21","18:00:00",""
"7128320","37.3667","0.0005","37.3667","0.0005","4.75497","0.00013","90","","90","","90","","6639.2","0.2","293","2","293","2","","","","","","","","7","I 41","I 4bw","80","","","","- C20 H32 Cl Cu N4 O6 S2 -","- C20 H32 Cl Cu N4 O6 S2 -","- C160 H256 Cl8 Cu8 N32 O48 S16 -","8","1","","Luo, Bi; Chen, Liguang; Hong, Zhaoguo; You, Xin; Huang, Fu-Ping; Bian, He-Dong; Zhang, Liangliang; Zhao, Shulin","A simple and feasible atom-precise biotinylated Cu(i) complex for tumor-targeted chemodynamic therapy.","Chemical communications (Cambridge, England)","2021","57","49","6046","6049","10.1039/d1cc00515d","","x-ray","0.71073","MoKα","","0.097","0.0706","","","0.1961","0.222","","","","","","1.064","","","","has coordinates,has disorder","267041","2021-07-05","16:22:45",""
"7152217","19.2441","0.001","19.2441","0.001","14.2264","0.0011","90","","90","","90","","5268.5","0.6","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C176 H288 N32 O48 -","16","2","","Fedoseyenko, Dmytro; Raghuraman, Arjun; Ko, Eunhwa; Burgess, Kevin","Omegatides: constrained analogs of peptide primary sequence.","Organic & biomolecular chemistry","2012","10","5","921","924","10.1039/c2ob06692k","","","0.71073","MoKα","","0.0613","0.0412","","","0.0915","0.1014","","","","","","1.013","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7156456","18.3696","0.0016","18.3696","0.0016","21.91","0.003","90","","90","","90","","7393.4","1.4","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","oDL2cTtPP","","- C64 H66 N4 O4 -","- C64 H66 N4 O4 -","- C256 H264 N16 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1849","0.1274","","","0.2902","0.3176","","","","","","0.897","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7200654","12.6267","0.001","12.6267","0.001","14.244","0.002","90","","90","","90","","2271","0.4","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui","pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers","CrystEngComm","2009","11","6","1114","","10.1039/b819646j","","","0.71073","MoKα","","0.0789","0.0782","","","0.2459","0.2472","","","","","","1.026","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7204640","12.8274","0.0007","12.8274","0.0007","14.2567","0.0007","90","","90","","90","","2345.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C18 H15 Cr N12 O4 S -","- C18 H12 Cr N12 O4 S -","- C72 H48 Cr4 N48 O16 S4 -","4","0.5","","Krister Larsson; Lars Öhrström","A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes","CrystEngComm","2003","5","38","222","225","10.1039/b303107a","","x-ray","0.924","synchrotron","","0.0707","0.0692","","","0.1969","0.2001","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7206176","27.994","0.004","27.994","0.004","19.391","0.006","90","","90","","90","","15196","6","223","2","223","2","","","","","","","","6","I 41","I 4bw","80","","","","- C96 H157 Cl N56 O63 Rb2 -","- C96 H96 Cl N56 O38 Rb2 -","- C384 H384 Cl4 N224 O152 Rb8 -","4","0.5","","Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang","Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril","CrystEngComm","2011","13","16","5105","","10.1039/c1ce05048f","","","0.71073","MoKα","","0.1023","0.0693","","","0.1835","0.1997","","","","","","0.968","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7208597","14.933","0.0016","14.933","0.0016","12.2771","0.0016","90","","90","","90","","2737.7","0.5","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","","","- C15 H13 N2 S -","- C15 H13 N2 S -","- C120 H104 N16 S8 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K.","An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles","Green Chemistry","2012","14","9","2491","","10.1039/c2gc35575b","","","0.71073","MoKα","","0.0641","0.0553","","","0.1214","0.1302","","","","","","1.019","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7214962","12.7419","0.0004","12.7419","0.0004","14.2617","0.0009","90","","90","","90","","2315.47","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0245","0.0229","","","0.0575","0.0583","","","","","","1.015","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214963","12.6811","0.0004","12.6811","0.0004","14.2077","0.0008","90","","90","","90","","2284.74","0.16","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0339","0.0298","","","0.0703","0.0741","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214964","12.8487","0.0016","12.8487","0.0016","14.526","0.002","90","","90","","90","","2398.1","0.5","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0591","0.0533","","","0.1581","0.1625","","","","","","0.973","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214965","12.866","0.0003","12.866","0.0003","14.3888","0.0005","90","","90","","90","","2381.83","0.11","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0323","0.0296","","","0.0767","0.079","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214966","12.783","0.002","12.783","0.002","14.358","0.005","90","","90","","90","","2346.2","1","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0816","0.0495","","","0.0915","0.1063","","","","","","0.975","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214967","12.5812","0.0008","12.5812","0.0008","14.2715","0.0017","90","","90","","90","","2259","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0741","0.0706","","","0.191","0.1932","","","","","","1.129","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214968","12.7455","0.0004","12.7455","0.0004","14.2641","0.0009","90","","90","","90","","2317.17","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0306","0.0286","","","0.0774","0.0795","","","","","","1.083","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214969","12.6871","0.0003","12.6871","0.0003","14.2044","0.0004","90","","90","","90","","2286.38","0.1","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C20 H18 N10 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0564","0.054","","","0.1322","0.1355","","","","","","1.129","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214970","12.8656","0.0006","12.8656","0.0006","14.5185","0.0013","90","","90","","90","","2403.2","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0385","0.035","","","0.088","0.0899","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214971","12.8616","0.0004","12.8616","0.0004","14.383","0.0006","90","","90","","90","","2379.25","0.14","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0443","0.0347","","","0.0764","0.0858","","","","","","1.029","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214972","12.8115","0.0014","12.8115","0.0014","14.325","0.003","90","","90","","90","","2351.2","0.6","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0449","0.0365","","","0.0815","0.0866","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7217056","20.2631","0.0003","20.2631","0.0003","13.8155","0.0005","90","","90","","90","","5672.6","0.2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Mn N2 O5 -","- C32 H32 Mn N2 O5 -","- C256 H256 Mn8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0319","0.0273","","","0.0614","0.0631","","","","","","1.019","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217057","20.572","0.0008","20.572","0.0014","13.725","0.002","90","","90","","90","","5808.5","1","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Cu N2 O5 -","- C32 H32 Cu N2 O5 -","- C256 H256 Cu8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1035","0.0432","","","0.091","0.1063","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218021","20.184","0.004","20.184","0.004","13.719","0.003","90","","90","","90","","5589","2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Co N2 O5 -","- C32 H32 Co N2 O5 -","- C256 H256 Co8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0339","0.0334","","","0.0886","0.0891","","","","","","0.852","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7220381","20.4449","0.0005","20.4449","0.0005","34.6253","0.0009","90","","90","","90","","14473.2","0.6","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C82 H68 Ag2 N2 P4 S2 -","- C82 H68 Ag2 N2 P4 S2 -","- C656 H544 Ag16 N16 P32 S16 -","8","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1221","0.0888","","","0.2519","0.2832","","","","","","1.036","","","","has coordinates,has disorder","138552","2020-10-21","18:00:00",""
"7222314","6.3881","","6.3881","","16.608","","90","","90","","90","","677.736","","","","","","","","","","","","","6","I 41","I 4bw","80","","V2 ((N H3) C2 H4 (N H2)) (H P O4)4 (H2 O)","","- C2 H15 N2 O17 P4 V2 -","- C2 N2 O17 P4 V2 -","- C4 N4 O34 P8 V4 -","2","0.25","","Calin, N.; Serre, C.; Sevov, S.C.","V(III) V(IV) (H P O4)4 * enH * (H2 O): a mixed-valence vanadium phosphate with an open framework","Journal of Materials Chemistry","2003","13","","531","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","158812","2020-10-21","18:00:00",""
"7222666","11.07","","11.07","","16.093","","90","","90","","90","","1972.11","","","","","","","","","","","","","3","I 41","I 4bw","80","","Ca11 Re4 O24","","- Ca11 O24 Re4 -","- Ca11 O24 Re4 -","- Ca44 O96 Re16 -","4","0.5","","Jeitschko, W.; Moens, H.A.; Moeller, M.H.; Rodewald, U.C.","The crystal structure of the potential ferroelectric calcium rhenate(VI,VII) Ca11 Re4 O24 and its relation to the structure of Sr11 Os4 O24","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","163771","2020-10-21","18:00:00",""
"7223374","28.639","0.005","28.639","0.005","7.8757","0.0015","90","","90","","90","","6460","2","200","2","200","2","","","","","","","","4","I 41","I 4bw","80","","","","- C33 H32 N2 O8 -","- C33 H32 N2 O8 -","- C264 H256 N16 O64 -","8","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1124","0.0547","","","0.1313","0.1503","","","","","","0.91","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7224120","24.5154","0.0014","24.5154","0.0014","76.118","0.004","90","","90","","90","","45747","4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C108 H150 Ag6 N30 O21 -","- C108 H144 Ag6 N30 O21 -","- C1728 H2304 Ag96 N480 O336 -","16","2","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0487","0.0357","","","0.0693","0.0739","","","","","","1.019","","","","has coordinates,has disorder","181605","2020-10-21","18:00:00",""
"7228855","25.876","0.004","25.876","0.004","16.283","0.003","90","","90","","90","","10903","3","100","","100","","","","","","","","","5","I 41","I 4bw","80","2Zn","","","- C35 H36 N2 O10 Zn -","- C35 H35 N2 O10 Zn -","- C280 H280 N16 O80 Zn8 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.0783","0.0594","","","0.1754","0.1953","","","","","","1.021","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7231557","20.873","0.0007","20.873","0.0007","14.2157","0.0004","90","","90","","90","","6193.5","0.3","300","2","300","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0464","0.0458","","","0.1141","0.1144","","","","","","1.142","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231558","20.8811","0.0009","20.8811","0.0009","14.219","0.0004","90","","90","","90","","6199.8","0.4","295","2","295","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0456","0.0445","","","0.1094","0.1099","","","","","","1.087","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231560","20.7954","0.0007","20.7954","0.0007","14.1103","0.0005","90","","90","","90","","6102","0.4","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0218","0.0217","","","0.0526","0.0526","","","","","","1.062","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231562","20.792","0.002","20.792","0.002","14.1122","0.0007","90","","90","","90","","6100.8","0.9","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0271","0.027","","","0.0651","0.0652","","","","","","1.09","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7232410","16.174","0.002","16.174","0.002","16.357","0.003","90","","90","","90","","4279","1.1","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","Compound 3","","- C24 H12 Cu N O5 -","- C24 H12 Cu N O5 -","- C192 H96 Cu8 N8 O40 -","8","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.074","0.0621","","","0.1465","0.153","","","","","","1.045","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7233313","23.138","0.003","23.138","0.003","26.906","0.003","90","","90","","90","","14405","3","150","2","150","2","","","","","","","","7","I 41","I 4bw","80","","","","- C40.5 H36 Cl N3 O1.5 Os P2 -","- C40.5 H36 Cl N3 O1.5 Os P2 -","- C648 H576 Cl16 N48 O24 Os16 P32 -","16","2","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03416A","","","0.71073","MoKα","","0.1299","0.0591","","","0.0695","0.0833","","","","","","1.019","","","","has coordinates,has disorder","217365","2020-10-21","18:00:00",""
"7237401","12.8855","0.0004","12.8855","0.0004","19.6018","0.001","90","","90","","90","","3254.6","0.2","298","2","298","2","","","","","","","","4","I 41","I 4bw","80","","","","- C18 H15 N5 S -","- C18 H15 N5 S -","- C144 H120 N40 S8 -","8","1","","Venkataramudu, Uppari; Sahoo, Chakradhar; Leelashree, Solaiappan; Venkatesh, Mottamchetty; Ganesh, Damarla; Naraharisetty, Sri Ram Gopal; Chaudhary, Anil Kumar; Srinath, Sanyadanam; Chandrasekar, Rajadurai","Terahertz radiation and second-harmonic generation from a single-component polar organic ferroelectric crystal","Journal of Materials Chemistry C","2018","6","35","9330","","10.1039/C8TC02638F","","","1.54184","CuKα","","0.0374","0.0348","","","0.0881","0.0909","","","","","","1.042","","","","has coordinates","237646","2020-10-21","18:00:00",""
"7237599","27.33","0.004","27.33","0.004","5.9874","0.0009","90","","90","","90","","4472.2","1.1","173.01","0.1","173.01","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C14 H13 N O -","- C14 H13 N O -","- C224 H208 N16 O16 -","16","2","","Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan","Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule","Journal of Materials Chemistry C","2019","7","9","2530","","10.1039/C8TC06202A","","","0.71073","MoKα","","0.1534","0.0798","","","0.0981","0.1188","","","","","","0.979","","","","has coordinates","237794","2020-10-21","18:00:00",""
"7237600","27.4577","0.0012","27.4577","0.0012","5.9843","0.0004","90","","90","","90","","4511.7","0.4","100","0.1","100","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C56 H52 N4 O4 -","- C56 H52 N4 O4 -","- C224 H208 N16 O16 -","4","0.5","","Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan","Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule","Journal of Materials Chemistry C","2019","7","9","2530","","10.1039/C8TC06202A","","x-ray","0.71073","MoKα","","0.0613","0.0472","","","0.104","0.11","","","","","","1.066","","","","has coordinates","237794","2020-10-21","18:00:00",""
"7243061","57.3567","0.001","57.3567","0.001","29.225","0.0005","90","","90","","90","","96144","3","123","","123.15","","","","","","","","","5","I 41","I 4bw","80","","Rb@18-crown","","- C262.38 H275.18 N18 O85.27 Rb3.98 -","- C262.376 H275.172 N18 O85.263 Rb3.982 -","- C2099.01 H2201.38 N144 O682.104 Rb31.856 -","8","1","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams","CrystEngComm","2021","23","29","5053","5059","10.1039/D1CE00628B","","","1.54187","CuKα","","0.1059","0.0494","","","0.1363","0.1806","","","","","","0.92","","","","has coordinates,has disorder","268634","2021-09-06","10:19:55",""
"7243697","16.7448","0.0002","16.7448","0.0002","11.7851","0.0003","90","","90","","90","","3304.4","0.1","114","","114","","","","","","","","","5","I 41","I 4bw","80","","","","- C8 H7 F O2 Te0.5 -","- C8 H7 F O2 Te0.5 -","- C128 H112 F16 O32 Te8 -","16","2","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0275","0.0193","","","0.0396","0.0419","","","","","","1.033","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7712909","21.9417","0.0007","21.9417","0.0007","6.6868","0.0002","90","","90","","90","","3219.28","0.17","193","2","193","2","","","","","","","","6","I 41","I 4bw","80","","","","- C24 H38 Ge N4 O2 S2 -","- C24 H38 Ge N4 O2 S2 -","- C96 H152 Ge4 N16 O8 S8 -","4","0.5","","Lentz, Nicolas; Sodreau, Alexandre; Acuña, Alejandra; Ladeira, Sonia; Maerten, Eddy; Sotiropoulos, Jean-Marc; Rojas, Rene S.; Madec, David","Synthesis and Structures of Homoleptic Germylenes and Stannylenes with Sulfonimidamide Ligands","Dalton Transactions","2023","","","","","10.1039/D3DT01072D","","","0.71073","MoKα","","0.0236","0.0198","","","0.0483","0.0503","","","","","","1.022","","","","has coordinates","282935","2023-05-01","22:53:55",""