# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T05:59:03+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -4 21 c' 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
"1010628","8.43","","8.43","","6.35","","90","","90","","90","","451.3","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Silver sulfate tetrammonia","","- Ag2 H12 N4 O4 S -","- Ag2 H12 N4 O4 S -","- Ag4 H24 N8 O8 S2 -","2","0.25","","Corey, R B; Wyckoff, R W G","The crystal structure of silver sulfate tetrammoniate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1934","87","","264","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100130","7.593","0.002","7.593","0.002","11.528","0.008","90","","90","","90","","664.63","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Pentasodium Ytterbium Tetracarbonate Dihydrate","","- C4 H4 Na5 O14 Yb -","- C4 H4 Na5 O14 Yb -","- C8 H8 Na10 O28 Yb2 -","2","0.25","","Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)","Journal of Alloys Compd.","2003","349","1-2","114","120","10.1016/S0925-8388(02)00910-6","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100513","17.096","0.002","17.096","0.002","9.824","0.001","90","","90","","90","","2871.29","","","","","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H22 N O4 P Zn -","- C10 H22 N O5 P Zn2 -","- C80 H176 N8 O40 P8 Zn16 -","8","1","","Ackermann, H.; Geiseler, G.; Harms, K.; Leo, R.; Massa, W.; Weller, F.; Dehnicke, K.","Triethylphosphanimin-Komplexe der Acetate von Kupfer(II) und Zink. Kristallstrukturen von [Zn(O~2~C-CH~3~)~2~(HNPEt~3~)], [Cu~5~(O~2~C-CH~3~)~10~(HNPEt~3~)~2~] und [Cu(O~2~C-CH~3~)~2~(HNPEt~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","9","1500","1506","10.1002/(sici)1521-3749(199909)625:9<1500::aid-zaac1500>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","177954","2020-10-21","18:00:00",""
"1100572","13.8165","0.0006","13.8165","0.0006","18.5683","0.001","90","","90","","90","","3544.61","","","","","","","","","","","","","9","P -4 21 c","P -4 2n","114","","","","- C32 H72 Cl8 Cu4 F12 N4 O12 P4 S4 -","- C104 H272 Cl12 Cu16 F12 N16 O12 P16 S4 -","- C208 H544 Cl24 Cu32 F24 N32 O24 P32 S8 -","2","0.25","","Krieger, Matthias; Schlecht, Sabine; Harms, Klaus; Dehnicke, Kurt","Synthese und Kristallstrukturen der Phosphanimin-Komplexe [Cu(μ-HNPEt~3~)]~4~(O~3~S-CF~3~)~4~ und [Pt~2~Me~6~(μ-I)~2~(μ-HNPMe~3~)]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","10","1565","1567","10.1002/(sici)1521-3749(199810)624:10<1565::aid-zaac1565>3.0.co;2-i","","","","","","","","","","","","","","","","","","","","","has coordinates","176950","2020-10-21","18:00:00",""
"1501614","17.281","0.002","17.281","0.002","20.591","0.002","90","","90","","90","","6149.2","1.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4 21 c","P -4 2n","114","","","","- C53 H80 N8 O16 y -","- C61 H83.84 N8 O8 S2 -","- C244 H335.36 N32 O32 S8 -","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","","0.1589","0.0989","","","0.2505","0.2721","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504488","19.0785","0.0003","19.0785","0.0003","8.4534","0.0002","90","","90","","90","","3076.95","0.1","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C128 H192 O16 -","8","1","","Dunet, Guillaume; Mayer, Peter; Knochel, Paul","Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.","Organic letters","2008","10","1","117","120","10.1021/ol702607t","","","0.71073","MoKα","","0.0713","0.0642","","","0.1971","0.2057","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504551","12.337","0.003","12.337","0.003","8.6191","0.0018","90","","90","","90","","1311.8","0.5","100","2","293","2","","","","","","","synthesis as described","4","P -4 21 c","P -4 2n","114","","","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C48 H56 N8 O8 -","2","0.25","","Roy, Olivier; Faure, Sophie; Thery, Vincent; Didierjean, Claude; Taillefumier, Claude","Cyclic beta-peptoids.","Organic letters","2008","10","5","921","924","10.1021/ol7030763","","x-ray","0.71073","MoKα","","0.0602","0.0445","","","0.1112","0.1154","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504778","16.2746","0.0004","16.2746","0.0004","13.7437","0.0005","90","","90","","90","","3640.19","0.18","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","TDTDT","","","- C30 H44 O4 S5 Si2 -","- C30 H44 O4 S5 Si2 -","- C120 H176 O16 S20 Si8 -","4","0.5","","Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Electronic modulation of fused oligothiophenes by chemical oxidation.","Organic letters","2008","10","16","3393","3396","10.1021/ol801136k","","","0.7107","MoKα","","0.0349","0.0325","","","0.0729","0.0743","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511523","7.051","","7.051","","38.709","","90","","90","","90","","1924.48","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","Sm11 Co40 B40","","- B40 Co40 Sm11 -","- B40 Co40 Sm11 -","- B80 Co80 Sm22 -","2","0.25","","Kuz'ma, Yu.B.; Zavalii, P.Yu.; Zavalii, L.V.","Sm11 (Co4 B4)10-a new member of the family of incommensurate structures","Kristallografiya","1990","35","","638","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512662","13.798","0.004","13.798","0.004","14.119","0.006","90","","90","","90","","2688","1.6","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C8 H16 Cl Cu N3 O5 -","- C8 H16 Cl Cu N3 O5 -","- C64 H128 Cl8 Cu8 N24 O40 -","8","1","","Haribabu Pagonda; P. Patil Yogesh; Hussain Reddy Katreddi; Nethaji Munirathinam","Novel tetranuclear distorted open-cubane copper complex containing oximate bridges: Synthesis, crystal structure, DNA binding and cleavage activity","Inorganica Chimica Acta","2012","392","","478","484","10.1016/j.ica.2012.03.042","","","0.71073","MoKα","","0.0652","0.0415","","","0.1042","0.1291","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513642","22.7","0.0018","22.7","0.0018","24.198","0.003","90","","90","","90","","12469","2","173","2","173","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C92 H84 Ag6 B6 Cl0 F24 N12 O24 -","- C92 H84 Ag6 B6 F24 N12 O24 -","- C368 H336 Ag24 B24 F96 N48 O96 -","4","0.5","","Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun","A controllable and dynamic assembly system based on discrete metallocages","Chemical Science","2014","5","2","483","","10.1039/c3sc52442f","","","0.71073","MoKα","","0.0714","0.0697","","","0.1946","0.1972","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513726","41","0.003","41","0.003","32.818","0.002","90","","90","","90","","55167","7","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","U124P32","","","- K19 O223.5 P8 U31 -","- K19 O223.5 P8 U31 -","- K152 O1788 P64 U248 -","8","1","","Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C.","Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters","Chemical Science","2014","5","1","303","","10.1039/c3sc52357h","","","0.71073","MoKα","","0.0993","0.0606","","","0.1551","0.1799","","","","","","1.191","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514299","21.2628","0.0015","21.2628","0.0015","9.0321","0.0009","90","","90","","90","","4083.5","0.6","123","","123","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H22 N2 O2 -","- C25 H21 N2 O2 -","- C200 H168 N16 O16 -","8","1","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0626","0.0441","","","0.0888","0.095","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514676","22.2937","0.0004","22.2937","0.0004","8.766","0.0002","90","","90","","90","","4356.78","0.15","293","2","293.15","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H23 Cl N3 Rh -","- C22 H23 Cl N3 Rh -","- C176 H184 Cl8 N24 Rh8 -","8","1","","Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo","Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes","Chemical Science","2013","4","5","1964","","10.1039/c3sc22241a","","","0.7107","MoKα","","0.0396","0.0319","","","0.0748","0.0788","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515651","22.3613","0.0006","22.3613","0.0006","8.7343","0.0003","90","","90","","90","","4367.4","0.2","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.042","0.0383","","","0.1005","0.1043","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517414","27.1414","0.0005","27.1414","0.0005","7.5825","0.0004","90","","90","","90","","5585.7","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C27 H18 Cl N5 O2.25 Ru -","- C27 H19 Cl N5 O2.25 Ru -","- C216 H152 Cl8 N40 O18 Ru8 -","8","1","","Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong","Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.","Metallomics : integrated biometal science","2014","6","12","2204","2212","10.1039/c4mt00158c","","","0.71073","MoKα","","0.0856","0.065","","","0.1963","0.2121","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517432","22.782","0.003","22.782","0.003","7.373","0.0015","90","","90","","90","","3826.7","1.1","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C43 H31 Cl6 N2 -","- C43 H31 Cl6 N2 -","- C172 H124 Cl24 N8 -","4","0.5","","Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao","Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.","Organic letters","2014","16","17","4622","","10.1021/ol502116m","","","0.8","Synchrotron","","0.0806","0.0773","","","0.2107","0.2146","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519222","14.0554","0.0004","14.0554","0.0004","9.5929","0.0001","90","","90","","90","","1895.12","0.08","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C12 H28 Cl2 Co N2 O4 -","- C12 H30 Cl2 Co N2 O4 -","- C48 H120 Cl8 Co4 N8 O16 -","4","0.5","","Kelly, Dave G.; Gelbrich, Thomas; Hursthouse, Michael B.","C12H28Cl2CoN2O4","Crystal Structure Report Archive","1999","","","808","","","","","0.71073","MoKα","","0.0352","0.0239","","","0.0577","0.061","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1526846","9.773","","9.773","","13.141","","90","","90","","90","","1255.12","","","","","","","","","","","","","6","P -4 21 c","P -4 2n","114","","Rb6.98 Na1.11 (Ga7.99 Si12.01 O40) (H2 O)3.32","","- Ga7.99 H6.64 Na1.11 O43.32 Rb6.98 Si12.01 -","- Ga7.99 Na1.112 O43.32 Rb6.984 Si12.01 -","- Ga7.99 Na1.112 O43.32 Rb6.984 Si12.01 -","1","0.125","","Lee, Y.-J.; Kim, S.-J.; Parise, J.B.","Synthesis and crystal structures of gallium- and germanium-variantsof the fibrous zeolites with the NAT, EDI and THOstructure types","Microporous and Mesoporous Materials","2000","34","","255","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528959","28.232","","28.232","","18.305","","90","","90","","90","","14589.9","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","((((C H3)3 Si)3 C In (C H3) O H)3)2 ((((C H3)3 Si)3 C)2 In C H3)","","- C87 H180 In7 O6 Si24 -","- C87 H243 In7 O6 Si24 -","- C348 H972 In28 O24 Si96 -","4","0.5","","Viefhaus, T.; Locke, K.; Schwarz, W.; Huebler, K.; Weidlein, J.","Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","715","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","186640","2020-10-21","18:00:00",""
"1529456","19.0391","0.0002","19.0391","0.0002","8.0073","0.0002","90","","90","","90","","2902.54","0.08","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C14 H13 N O5 Pb -","- C14 H13 N O5 Pb -","- C112 H104 N8 O40 Pb8 -","8","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","A new small molecule gelator and 3D framework ligator of lead(ii)","CrystEngComm","2015","17","42","8139","","10.1039/C5CE01689D","","","0.71073","MoKα","","0.0379","0.0283","","","0.0409","0.043","","","","","","1.052","","","","has coordinates","171098","2020-10-21","18:00:00",""
"1529524","13.741","","13.741","","6.0199","","90","","90","","90","","1136.65","","","","","","","","","","","","","6","P -4 21 c","P -4 2n","114","","(N H4) Te F5 (H Cl).25 (H2 O).25","","- Cl0.25 F5 H4.75 N O0.25 Te -","- Cl0.25 F5 H4.75 N O0.25 Te -","- Cl2 F40 H38 N8 O2 Te8 -","8","1","","Abriel, W.; du Bois, A.","Inclusion of H Cl and H2 O in the new tunnel type structure (N H4) Te F5 (H Cl).25 (H2 O).25","Materials Research Bulletin","1986","21","","1503","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","186593","2020-10-21","18:00:00",""
"1529607","7.906","","7.906","","15.539","","90","","90","","90","","971.263","","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","Yb15 C19","","- C19 Yb15 -","- C19 Yb15 -","- C38 Yb30 -","2","0.25","","Bauer, J.; Bienvenu, H.","Sur la structure cristalline des phases Yb15 C19 et Lu15 C19","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1980","290","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","154068","2020-10-21","18:00:00",""
"1530646","14.105","","14.105","","6.378","","90","","90","","90","","1268.91","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Na7 Fe4 (P2 O7)4 P O4","","- Fe4 Na7 O32 P9 -","- Fe4 Na7 O32 P9 -","- Fe8 Na14 O64 P18 -","2","0.25","","Rochere, M.; Kahn, A.; d'Yvoire, F.; Bretey, E.","Crystal Structure and Cation Transport Properties of the Ortho-Diphosphates Na7 (M P2 O7)4 P O4 (M=Al,Cr,Fe)","Materials Research Bulletin","1985","20","","27","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","155784","2020-10-21","18:00:00",""
"1531551","13.0574","","13.0574","","7.8935","","90","","90","","90","","1345.81","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Cs Cu5 S3 -","- Cs Cu5 S3 -","- Cs8 Cu40 S24 -","8","1","","Huster, J.; Bronger, W.","Cs Cu5 S3 - eine neue Verbindung in zwei Modifikationen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1395","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536235","7.4637","","7.4637","","11.57","","90","","90","","90","","644.528","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Na5 (Sc (C O3)4) (H2 O)2","","- C4 H4 Na5 O14 Sc -","- C4 H4 Na5 O14 Sc -","- C8 H8 Na10 O28 Sc2 -","2","0.25","","Dahm, M.; Adam, A.","Ab-initio-Berechnung des Tetracarbonatoscandat-Ions Na5 (Sc (C O3)4) * 2(H2 O). Einkristallstrukturbestimmung, Schwingungsspektren und thermischer Abbau","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2023","2031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538329","17.11","","17.11","","7.71","","90","","90","","90","","2257.12","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Zr O Cl2 (H2 O)8","","- Cl2 H16 O9 Zr -","- Cl2 O9 Zr -","- Cl16 O72 Zr8 -","8","1","","Mak, T.C.W.","Refinement of the crystal structure of zirconyl chloride octahydrate","Canadian Journal of Chemistry","1968","46","","3491","3497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541686","10.7588","","10.7588","","18.6845","","90","","90","","90","","2162.76","","","","","","","","","","","","","7","P -4 21 c","P -4 2n","114","","((C Se (N H2)2)2 ((C H3)3 P)2 Au2) Cl2","","- C8 H26 Au2 Cl2 N4 P2 Se2 -","- C8 H26 Au2 Cl2 N4 P2 Se2 -","- C32 H104 Au8 Cl8 N16 P8 Se8 -","4","0.5","","Fettouhi, M.; Wazeer, M.I.M.; Ahmad, S.; Isab, A.A.","X-ray structure and (77)Se, (31)P and (13)C MAS NMR of the dinuclear complex 1,2-bis(selenourea)-1kappaSe,2kappaSe -1,2-bis(trimethylphosphine)digold(I) chloride","Polyhedron","2004","23","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","173102","2020-10-21","18:00:00",""
"1544060","15.9363","0.0008","15.9363","0.0008","16.8801","0.0008","90","","90","","90","","4287","0.4","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","(η^5^-2,4-Dimethylcyclopenta[<i>b</i>]indolyl)(η^5^-pentamethylcyclopentadienyl)zirconium(IV) dichloride","","- C23 H27 Cl2 N Zr -","- C23 H27 Cl2 N Zr -","- C184 H216 Cl16 N8 Zr8 -","8","1","FF4008","Medvedev, Michael G.; Ryabov, Alexey N.; Uborsky, Dmitry V.; Kononovich, Dmitry S.; Izmer, Vyatcheslav V.; Voskoboynikov, Alexander Z.","(η5-2,4-Dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride","IUCrData","2016","1","9","","","10.1107/S2414314616014085","","","0.71073","MoKα","","0.0452","0.0422","","","0.0951","0.0963","","","","","","1.11","","","","has coordinates,has Fobs","186497","2020-10-21","18:00:00",""
"1545547","7.7299","0.0002","7.7299","0.0002","5.6587","0.0002","90","","90","","90","","338.115","0.017","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M.","Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph","Scientific Reports","2016","6","","39561","39561","10.1038/srep39561","","","","","","","","","","","","","","","","","","","","","has coordinates","194195","2020-10-21","18:00:00",""
"1545699","11.6403","0.0003","11.6403","0.0003","17.0402","0.0006","90","","90","","90","","2308.89","0.12","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","ain875","","","- C50 H46 Co4 N10 O8 -","- C50 H46 Co4 N10 O8 -","- C100 H92 Co8 N20 O16 -","2","0.25","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0233","0.0219","","","0.0577","0.0585","","","","","","1.094","","","","has coordinates","195271","2020-10-21","18:00:00",""
"1546106","21.2016","0.0013","21.2016","0.0013","7.9468","0.0005","90","","90","","90","","3572.1","0.4","210","2","210","2","","","","","","","","4","P -4 21 c","P -4 2n","114","NB-078-023","","","- C17 H27 N O3.5 -","- C17 H27 N O3.5 -","- C136 H216 N8 O28 -","8","1","","Shymanska, Nataliia V.; Pierce, Joshua G.","Stereoselective Synthesis of Quaternary Pyrrolidine-2,3-diones and β-Amino Acids.","Organic letters","2017","19","11","2961","2964","10.1021/acs.orglett.7b01185","","","0.71073","MoKα","","0.0736","0.0582","","","0.1486","0.1583","","","","","","1.085","","","","has coordinates","197500","2020-10-21","18:00:00",""
"1546113","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0371","0.0298","","","0.0792","0.0835","","","","","","1.124","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546114","22.206","0.003","22.206","0.003","8.692","0.002","90","","90","","90","","4286.1","1.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 B F10 N -","- C24 H18 B F10 N -","- C192 H144 B8 F80 N8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.102","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546218","21.6276","0.0014","21.6276","0.0014","8.1936","0.0006","90","","90","","90","","3832.6","0.4","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C184 H120 N24 O16 -","8","1","","Barve, Indrajeet J.; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Silver(I)-Catalyzed Regioselective Synthesis of Triazole Fused-1,5-Benzoxazocinones.","Organic letters","2017","19","9","2370","2373","10.1021/acs.orglett.7b00907","","","0.71073","MoKα","","0.1274","0.0981","","","0.2457","0.2641","","","","","","1.053","","","","has coordinates","197363","2020-10-21","18:00:00",""
"1546325","13.754","0.002","13.754","0.002","5.9258","0.0006","90","","90","","90","","1121","0.3","","","293","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- F5.25 H5 N1.25 Te -","- F5.25 N1.25 Te -","- F42 N10 Te8 -","8","1","","Kokunov, Yu. V.; Gorbunova, Yu. E.; Afanasjev, V. M.; Petrov, V. N.; Dadidovich, R. L.; Buslaev, Yu. A.","Synthesis, 19F, 125Te NMR spectra and crystal structure of NBu4TeF5 and NH4TeF5 (NH4F)0.25 ('(NH4)2TeF6')","Journal of Fluorine Chemistry","1990","50","","285","298","10.1016/S0022-1139(00)84994-5","","x-ray","0.71069","MoKα","","","0.066","","","","","","","","","","","","","","has coordinates","197849","2020-10-21","18:00:00",""
"1546346","11.0842","0.0013","11.0842","0.0013","18.299","0.003","90","","90","","90","","2248.2","0.5","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0625","0.0484","","","0.1315","0.1505","","","","","","1.145","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546347","10.96009","0.00019","10.96009","0.00019","18.3921","0.0006","90","","90","","90","","2209.32","0.09","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H40 Cl4 Fe4 N8 O10 -","- C36 H40 Cl4 Fe4 N8 O10 -","- C72 H80 Cl8 Fe8 N16 O20 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0631","0.0479","","","0.1116","0.1243","","","","","","1.1","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546348","11.148","0.002","11.148","0.002","19.893","0.004","90","","90","","90","","2472.3","0.8","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H52 Cl4 Fe4 N8 O8 -","- C40 H52 Cl4 Fe4 N8 O8 -","- C80 H104 Cl8 Fe8 N16 O16 -","2","0.25","","Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua","Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity","Chem. Sci.","2017","","","","","10.1039/C7SC01041A","","","0.71073","MoKα","","0.0357","0.0322","","","0.08","0.0819","","","","","","1.067","","","","has coordinates","197953","2020-10-21","18:00:00",""
"1546809","15.0581","0.0011","15.0581","0.0011","12.1751","0.0009","90","","90","","90","","2760.7","0.4","110","2","110","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H40 Fe4 N12 O16 -","- C60 H40 Fe4 N12 O16 -","- C120 H80 Fe8 N24 O32 -","2","0.25","","Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar","Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand","Dalton Transactions","2017","46","37","12612","12618","10.1039/C7DT02433A","","","0.71073","MoKα","","0.1641","0.0642","","","0.1252","0.1469","","","","","","1.13","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1548157","20.4693","0.0001","20.4693","0.0001","19.1467","0.0003","90","","90","","90","","8022.32","0.14","173","0.1","173","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C30 H44 N6 O12 S2 Zn2 -","- C30 H44 N6 O12 S2 Zn2 -","- C240 H352 N48 O96 S16 Zn16 -","8","1","","Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing","N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst","Catalysis Science & Technology","2018","8","1","335","","10.1039/C7CY02265D","","","0.71073","MoKα","","0.0388","0.0337","","","0.0741","0.0768","","","","","","1.028","","","","has coordinates","227961","2020-10-21","18:00:00",""
"1549124","16.392","0.0001","16.392","0.0001","21.9038","0.0002","90","","90","","90","","5885.5","0.07","123","","123","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C66 H44 F12 N6 O P2 Ru -","- C66 H44 F12 N6 O P2 Ru -","- C264 H176 F48 N24 O4 P8 Ru4 -","4","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0341","0.0335","","","0.0967","0.0974","","","","","","1.027","","","","has coordinates,has disorder","228817","2020-10-21","18:00:00",""
"1550056","24.0631","0.0001","24.0631","0.0001","7.4652","0.0001","90","","90","","90","","4322.6","0.06","150","2","150.01","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H30 N4 O2 Zn -","- C22 H30 N4 O2 Zn -","- C176 H240 N32 O16 Zn8 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0215","0.021","","","0.0547","0.0551","","","","","","1.072","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550800","11.3471","0.0002","11.3471","0.0002","16.1552","0.0005","90","","90","","90","","2080.09","0.08","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H32 Cl8 Hf N4 O4 -","- C40 H32 Cl8 Hf N4 O4 -","- C80 H64 Cl16 Hf2 N8 O8 -","2","0.25","","Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis","Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies","Polymer Chemistry","2019","10","25","3444","","10.1039/C8PY01750F","","","0.71073","MoKα","","0.0301","0.0218","","","0.0713","0.0835","","","","","","0.65","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1555860","32.715","0.006","32.715","0.006","20.819","0.004","90","","90","","90","","22282","7","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C116 H122 B2 F4 N8 O6 -","- C116 H122 B2 F4 N8 O6 -","- C928 H976 B16 F32 N64 O48 -","8","1","","Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya","m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.","Organic letters","2016","18","20","5380","5383","10.1021/acs.orglett.6b02761","","","0.71073","MoKα","","0.0494","0.0444","","","0.1102","0.1132","","","","","","1.026","","","","has coordinates","239185","2020-10-21","18:00:00",""
"1556488","13.5114","0.0014","13.5114","","17.556","0.003","90","","90","","90","","3205","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -4 21 c","P -4 2n","114","","","","- C12 H16 F6 K N O -","- C12 H16 F6 K N O -","- C96 H128 F48 K8 N8 O8 -","8","1","","Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.","K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides","Inorganics","2017","5","","13","","10.3390/inorganics5010013","","x-ray","0.71073","MoKα","","0.1014","0.0466","","","0.0794","0.0942","","","","","","0.963","","","","has coordinates","244980","2020-10-21","18:00:00",""
"1556941","15.2024","0.0018","15.2024","0.0018","7.9195","0.0013","90","","90","","90","","1830.3","0.4","173","2","173.02","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H52 O4 Ti -","- C40 H52 O4 Ti -","- C80 H104 O8 Ti2 -","2","0.25","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0799","0.0515","","","0.0995","0.1263","","","","","","1.084","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556942","12.312","0.0003","12.312","0.0003","17.7572","0.0008","90","","90","","90","","2691.73","0.15","173","2","172.99","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C56 H84 O4 Ti -","- C56 H84 O4 Ti -","- C112 H168 O8 Ti2 -","2","0.25","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0397","0.035","","","0.0846","0.0868","","","","","","1.023","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1556943","15.2973","0.0016","15.2973","0.0016","8.263","0.002","90","","90","","90","","1933.6","0.5","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C40 H48 F4 O4 Ti -","- C40 H48 F4 O4 Ti -","- C80 H96 F8 O8 Ti2 -","2","0.25","","Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.","Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.","Faraday discussions","2019","220","0","208","230","10.1039/c9fd00033j","","","1.54178","CuKα","","0.0955","0.0756","","","0.2282","0.241","","","","","","1.147","","","","has coordinates","246607","2020-10-21","18:00:00",""
"1560431","16.7319","0.0005","16.7319","0.0005","10.0975","0.0003","90","","90","","90","","2826.86","0.15","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- Ca2 H3 O17 P4 Zn3.5 -","- Ca2 H3 O17 P4 Zn3.5 -","- Ca16 H24 O136 P32 Zn28 -","8","1","","Chang, Tong-Ying; Hu, Chun-Li; Yan, Dong; Mao, Jiang-Gao","(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates","Journal of Solid State Chemistry","2017","251","","19","25","10.1016/j.jssc.2017.04.008","","","0.71073","MoKα","","0.0321","0.0291","","","0.0686","0.0708","","","","","","1.098","","","","has coordinates","262006","2021-02-16","10:35:21",""
"1560707","25.375","0.0004","25.375","0.0004","8.6456","0.0002","90","","90","","90","","5566.82","0.18","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","","- C30 H31 N O3 S2 -","- C30 H31 N O3 S2 -","- C240 H248 N8 O24 S16 -","8","1","BV4035","Vinotha, G.; Sundar, T. V.; Sharmila, N.","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","IUCrData","2021","6","2","x210210","","10.1107/S2414314621002108","","","0.71073","MoKα","","0.0557","0.043","","","0.1038","0.1102","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","262302","2021-02-27","06:15:23",""
"1561331","24.185","0.002","24.185","0.002","27.067","0.003","90","","90","","90","","15832","3","103","2","103","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- O357 P8 Ta12 W60 -","- O357 P8 Ta12 W60 -","- O714 P16 Ta24 W120 -","2","0.25","","Li, Shujun; Peng, Qingpo; Chen, Xuenian; Wang, Ruoya; Zhai, Jianxin; Hu, Weihua; Ma, Fengji; Zhang, Jie; Liu, Shuxia","A Ta/W mixed addenda heteropolyacid with excellent acid catalytic activity and proton-conducting property","Journal of Solid State Chemistry","2016","243","","1","7","10.1016/j.jssc.2016.08.003","","","0.71073","MoKα","","0.1574","0.0841","","","0.1524","0.1893","","","","","","0.889","","","","has coordinates","263414","2021-03-29","09:15:27",""
"1561409","13.5468","0.0004","13.5468","0.0004","6.4915","0.0002","90","","90","","90","","1191.29","0.06","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","barium gallium germanium selenide (4/4/1/12)","barium gallium germanium selenide (4/4/1/12)","","- Ba4 Ga4 Ge Se12 -","- Ba4 Ga4 Ge Se12 -","- Ba8 Ga8 Ge2 Se24 -","2","0.25","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur","Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties","Journal of Solid State Chemistry","2016","241","","131","136","10.1016/j.jssc.2016.06.004","","","0.71073","MoKα","","0.0268","0.0231","","","0.0481","0.0493","","","","","","1.077","","","","has coordinates","263521","2021-04-01","08:30:17",""
"1567616","22.544","0.003","22.544","0.003","9.5927","0.0011","90","","90","","90","","4875.3","1.1","100","","100","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C23 H15 F3 I2 N2 O3 S -","- C23 H15 F3 I2 N2 O3 S -","- C184 H120 F24 I16 N16 O24 S8 -","8","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.0358","0.0248","","","0.0467","0.0506","","","","","","1.098","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567632","20.192","0.0008","20.192","0.0008","11.043","0.0005","90","","90","","90","","4502.4","0.3","296.15","","296.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.1518","0.0709","","","0.1481","0.1737","","","","","","0.952","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1568288","17.6502","0.0016","17.6502","0.0016","20.387","0.003","90","","90","","90","","6351.2","1.2","173","","173","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H45 N2 Sc Si2 -","- C30 H45 N2 Sc Si2 -","- C240 H360 N16 Sc8 Si16 -","8","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.0697","0.0609","","","0.1183","0.1212","","","","","","1.267","","","","has coordinates","281611","2023-03-04","18:48:16",""
"1570950","23.6454","0.0008","23.6454","0.0008","8.8984","0.0003","90","","90","","90","","4975.1","0.3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H37 B7 Os2 -","- C20 H37 B7 Os2 -","- C160 H296 B56 Os16 -","8","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0289","0.0218","","","0.0376","0.0407","","","","","","1.071","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1571769","13.7","0.0006","13.7","0.0006","8.7123","0.0005","90","","90","","90","","1635.21","0.14","170","2","170","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Tetrakis(2,4,6-trimethylanilido)tin(IV)","","- C36 H48 N4 Sn -","- C36 H48 N4 Sn -","- C72 H96 N8 Sn2 -","2","0.25","WM4214","Lämmer, Christian; Merzweiler, Kurt","Tetrakis(2,4,6-trimethylanilido)tin(IV)","IUCrData","2024","9","5","","","10.1107/S2414314624004796","","","0.71073","MoKα","","0.0242","0.0224","","","0.0558","0.057","","","","","","1.069","","","","has coordinates","292167","2024-06-01","02:26:32",""
"1572253","11.849","0.0002","11.849","0.0002","7.8931","0.0003","90","","90","","90","","1108.18","0.05","100","","100","","","","","","","","","3","P -4 21 c","P -4 2n","114","","tetra(o-tolyl)molybdenum","","- C28 H28 Mo -","- C28 H28 Mo -","- C56 H56 Mo2 -","2","0.25","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","","0.71073","MoKα","","0.0505","0.0365","","","0.0843","0.0917","","","","","","1.127","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572519","12.2559","0.0006","12.2559","0.0006","15.4132","0.0016","90","","90","","90","","2315.2","0.3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C12 H9 Co0.75 N2 O2 -","- C12 H9 Co0.75 N2 O2 -","- C96 H72 Co6 N16 O16 -","8","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","","0.0431","","","0.1198","0.1252","","","","","","1.002","","","","has coordinates","294649","2024-09-06","08:51:20",""
"1573084","27.9576","0.0001","27.9576","0.0001","15.5123","0.0001","90","","90","","90","","12124.8","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C57 H78 N4 O P2 -","- C57 H78 N4 O P2 -","- C456 H624 N32 O8 P16 -","8","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: Beyond the Phosphorus Analogue of Enones","Chemical Science","2024","","","","","10.1039/D4SC06462C","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.0896","0.0904","","","","","","1.068","","","","has coordinates","295869","2024-11-11","23:13:10",""
"1573243","14.82724","0.00007","14.82724","0.00007","16.45463","0.00014","90","","90","","90","","3617.5","0.04","150","2","150.01","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H34 O6 P2 Ru -","- C42 H34 O6 P2 Ru -","- C168 H136 O24 P8 Ru4 -","4","0.5","","","","","","","","","","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0207","0.0193","","","0.0451","0.0457","","","","","","1.034","","","","has coordinates,has disorder","296048","2024-11-21","22:36:41",""
"2000824","14.232","0.001","14.232","0.001","10.169","0.004","90","","90","","90","","2059.7","0.8","","","","","","","","","","","","4","P -4 21 c","P -4 2n","","","","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C72 H88 N24 O24 -","8","1","AS0547","Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.","Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas","Acta Crystallographica Section C","1992","48","6","1051","1054","10.1107/S0108270191012908","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001446","13.239","0.001","13.239","0.001","18.4","0.002","90","","90","","90","","3225","0.5","293","1","133","1","","","","","","","","5","P -4 21 c","P -4 2n","114","Di-sodium-hexasulfido-bis(pentamethyldiethylendiamine)","","","- C18 H46 N6 Na2 S6 -","- C18 H46 N6 Na2 S6 -","- C72 H184 N24 Na8 S24 -","4","0.5","HL1023","Besser, S.; Herbst-Irmer, R.; Stalke, D.; Brooker, A. T.; Snaith, R.; Wright, D. S.","Structure of bis(pentamethyldiethylenetriamine)disodium hexasulfide","Acta Crystallographica Section C","1993","49","8","1482","1483","10.1107/S0108270193001167","","","0.71073","MoKα","","0.033","0.0269","","0.0616","0.057","","","","1.08","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001543","12.151","0.002","12.151","0.002","6.545","0.001","90","","90","","90","","966.3","0.3","293","1","293","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","Tetraphenyllead","","- C24 H20 Pb -","- C24 H20 Pb -","- C48 H40 Pb2 -","2","0.25","AL1039","Preut, H.; Huber, F.","Redetermination of tetraphenyllead","Acta Crystallographica Section C","1993","49","7","1372","1373","10.1107/S0108270193001878","","","0.71073","MoKα","","0.0347","0.0301","","0.0505","0.0412","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002028","7.5214","0.0005","7.5214","0.0005","9.261","0.001","90","","90","","90","","523.91","0.08","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- F2 O5 S2 -","- F2 O5 S2 -","- F8 O20 S8 -","4","0.5","HA0109","Blake, A. J.; Žák, Z.","Structure of disulfuryl difluoride at 100 K","Acta Crystallographica Section C","1993","49","1","7","9","10.1107/S0108270192005547","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","207412","2020-10-21","18:00:00",""
"2002499","12.773","0.005","12.773","0.005","5.142","0.004","90","","90","","90","","838.9","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","Dilead manganate(IV)","","- Mn O4 Pb2 -","- Mn O4 Pb2 -","- Mn8 O32 Pb16 -","8","1","","Teichert, A; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp zur Formel A2 M O4: Pb2 Mn O4, eine Tunnelstruktur mit einseitig koordinierten Pb2±Ionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","598","","319","325","10.1002/zaac.19915980129","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004482","7.9268","0.0004","7.9268","0.0004","9.1025","0.0005","90","","90","","90","","571.95","0.05","298","","","","","","","","","","Synthetic","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H4 O8 Sn6 -","- O8 Sn6 -","- O16 Sn12 -","2","0.25","BR1120","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) Oxyhydroxide by X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","2","286","288","10.1107/S0108270195012625","","","1.54184","CuKα","","","0.0332","","","0.0436","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2007139","15.747","0.001","15.747","0.001","13.148","0.001","90","","90","","90","","3260.3","0.4","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H104 Cl6 Mn N4 -","- C68 H104 Cl6 Mn N4 -","- C136 H208 Cl12 Mn2 N8 -","2","0.25","BK1313","Chang, Ning-Leh; Lynch, Vincent M.; Simonsen, Stanley H.","Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride","Acta Crystallographica Section C","1998","54","4","475","476","10.1107/S0108270197005842","","","0.71073","MoKα","","0.0466","0.035","","0.089","0.0842","","","","1.06","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010174","14.2266","0.0017","14.2266","0.0017","7.3943","0.0007","90","","90","","90","","1496.6","0.3","293","","293","","","","","","","","","4","P -4 21 c","P -4 2n","114","tetrakis(2-methoxybenzyl)tin","tetrakis(2-methoxybenzyl)tin","","- C32 H36 O4 Sn -","- C32 H36 O4 Sn -","- C64 H72 O8 Sn2 -","2","0.25","HA1113","Ross, Jennifer-Nicola; Wardell, James L.; Ferguson, George; Low, John N.","Symmetrical tetrasubstituted tin compounds: tetrakis(2-methoxyphenyl)tin and tetrakis(2-methoxybenzyl)tin","Acta Crystallographica Section C","1994","50","11","1703","1707","10.1107/S0108270194006815","","","0.71067","MolybdenumKα","","0.049","0.025","","0.047","0.037","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010639","18.944","0.003","18.944","0.003","6.3326","0.0011","90","","90","","90","","2272.6","0.6","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Sodium diphenylacetate","","- C14 H11 Na O2 -","- C14 H11 Na O2 -","- C112 H88 Na8 O16 -","8","1","LN1088","Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M.","Sodium diphenylacetate, an infinite columnar structure","Acta Crystallographica Section C","2000","56","2","168","170","10.1107/S0108270199014080","","","0.71073","MoKα","","0.078","0.038","","","","0.106","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015012","19.2181","0.0006","19.2181","0.0006","10.8347","0.0002","90","","90","","90","","4001.64","0.19","120","2","120","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","10-methyl-8-phenyl-11-(3-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","1","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.0634","0.041","","","0.0812","0.0892","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017114","12.826","0.0011","12.826","0.0011","7.2032","0.0006","90","","90","","90","","1184.97","0.17","213","2","213","2","","","","","","","","2","P -4 21 c","P -4 2n","114","","1,3,5,7-Tetraphenyladamantane","","- C34 H32 -","- C34 H32 -","- C68 H64 -","2","0.25","SF3104","Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane","Acta Crystallographica Section C","2009","65","5","o248","o252","10.1107/S0108270109013456","","","0.71073","MoKα","","0.0442","0.0348","","","0.0817","0.084","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018289","12.5738","0.0001","12.5738","0.0001","19.5895","0.0003","90","","90","","90","","3097.11","0.06","100","1","100","1","","","","","","","","5","P -4 21 c","P -4 2n","114","","poly[dicaesium(I) hexaaquacobalt(II) [octaaqua-tetra-μ-citrato-hexacobalt(II)] dodecahydrate]","","- C24 H68 Co7 Cs2 O54 -","- C24 H56 Co7 Cs2 O54 -","- C48 H112 Co14 Cs4 O108 -","2","0.25","GZ3201","Falvello, Larry R.; Forcén-Vázquez, Elena; Mayoral, Isabel; Tomás, Milagros; Palacio, Fernando","A square two-dimensional polymer of cobalt citrate cubanes","Acta Crystallographica Section C","2011","67","11","m359","m363","10.1107/S0108270111043587","","","0.71073","MoKα","","0.0454","0.0372","","","0.0918","0.0935","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018905","16.2247","0.0019","16.2247","0.0019","7.6586","0.0008","90","","90","","90","","2016.1","0.4","91","2","91","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-Bromo-6-hydroxy-7,8-dimethylchroman-2-one","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C88 H88 Br8 O24 -","8","1","FA3310","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one","Acta Crystallographica Section C","2013","69","4","407","411","10.1107/S0108270113005325","","","0.71073","MoKα","","0.0363","0.0323","","","0.0754","0.0776","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018978","12.2905","0.0014","12.2905","0.0014","16.133","0.004","90","","90","","90","","2437","0.7","291","2","291","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","","- C37 H52 Cl4 N8 O8 Zn2 -","- C37 H52 Cl4 N8 O8 Zn2 -","- C74 H104 Cl8 N16 O16 Zn4 -","2","0.25","MX3099","Wang, Ya-Qin; Xie, Fa-Zhi; Du, Lin","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","Acta Crystallographica Section C","2013","69","6","577","580","10.1107/S0108270113010937","","","0.71073","MoKα","","0.046","0.0311","","","0.0825","0.0863","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2020716","18.7952","0.0003","18.7952","0.0003","8.5279","0.0003","90","","90","","90","","3012.56","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Diphenylphosphinic 1-methylpropylamide","","- C16 H20 N O P -","- C16 H20 N O P -","- C128 H160 N8 O8 P8 -","8","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0588","0.0543","","","0.1412","0.1462","","","","","","1.091","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2104221","10.53507","0.00003","10.535067","","10.53715","0.00006","90","","90","","90","","1169.49","0.007","2","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","cyclohexanol","perdeutero cyclohexanol","","- C6 D12 O -","- C6 D12 O -","- C48 D96 O8 -","8","1","WS5067","Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T.","Polymorphism in cyclohexanol","Acta Crystallographica Section B","2008","64","5","573","582","10.1107/S0108768108025093","","neutron","","neutron","","","","","","","","","","1.15","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105431","12.141","","12.141","","12.1606","","90","","90","","90","","1792.52","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Cr3 (B7 O13) Cl","","- B7 Cl Cr3 O13 -","- B7 Cl Cr3 O13 -","- B56 Cl8 Cr24 O104 -","8","1","","Schmid, H.; Yvon, K.; Kubel, F.; Mao, S.Y.","Tetragonal ferroelastic/antiferroelectric chromium-chlorine boracite, Cr3B7O13Cl, fron x-ray diffraction on a single-domain crystal at 230 K","Acta Crystallographica B (39,1983-)","1991","47","","692","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2107424","7.482","","7.482","","6.353","","90","","90","","90","","355.643","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","D2 (S O4) (D2 O)4","","- D10 O8 S -","- D10 O8 S -","- D20 O16 S2 -","2","0.25","","Kjaellman, T.; Olovsson, I.","Hydrogen-Bond studies. LVIII. The crystal structure of normal and deuterated sulphuric acid tetrahydrate, ((H5 O2)(+))2 (S O4)(2-) and ((D5 O2)(+))2 (S O4)(2-)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1692","1697","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107425","7.484","","7.484","","6.349","","90","","90","","90","","355.609","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","H2 (S O4) (H2 O)4","","- H10 O8 S -","- H10 O8 S -","- H20 O16 S2 -","2","0.25","","Kjaellman, T.; Olovsson, I.","Hydrogen-bond studies. LVIII. The crystal structure of normal and deuterated sulphuric acid tetrahydrate, ((H5 O2)(+))2 (S O4)(2-) and ((D5 O2)(+))2 (S O4)(2-)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1692","1697","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108258","13.2415","0.0013","13.2415","0.0013","14.9977","0.0017","90","","90","","90","","2629.7","0.5","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C48 H40 Fe4 N4 O24 -","- C48 H40 Fe4 N4 O24 -","- C96 H80 Fe8 N8 O48 -","2","0.25","","Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.","Control of crystal structure using temperature and time","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007795","powder diffraction","","0.71073","MoKα","","0.0369","0.0294","","","0.0637","0.067","","","","","","1.039","","","","has coordinates,has Fobs","288502","2023-12-22","13:28:23",""
"2200280","9.9015","0.0012","9.9015","0.0012","13.4199","0.0016","90","","90","","90","","1315.7","0.3","298","","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","propane-1,3-diammonium bis(zinc phosphate)","","- C1.875 H7.5 N1.25 O5 P1.25 Zn1.25 -","- O4 P Zn -","- O40 P10 Zn10 -","10","1.25","BT6049","Harrison, William T. A.","[H~3~N(CH~2~)~3~NH~3~]~0.5~[ZnPO~4~], an organically templated zincophosphate analogue of the aluminosilicate zeolite edingtonite","Acta Crystallographica Section E","2001","57","6","m248","m250","10.1107/S1600536801008327","","","0.71073","MoKα","","0.1","0.085","","","","0.222","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200990","9.4019","0.0005","9.4019","0.0005","7.4051","0.0004","90","","90","","90","","654.58","0.06","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","Tetrakis(iodomethyl)tin","Tetrakis(iodomethyl)stannane","","- C4 H8 I4 Sn -","- C4 H8 I4 Sn -","- C8 H16 I8 Sn2 -","2","0.25","WN6084","Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","Tetrakis(iodomethyl)stannane","Acta Crystallographica Section E","2002","58","3","m105","m106","10.1107/S160053680200274X","","","0.71073","MoKα","","0.0426","0.0379","","","0.1022","0.1046","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201557","7.3086","0.0006","7.3086","0.0006","11.2295","0.0012","90","","90","","90","","599.83","0.09","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Silicon(iv) acetate","","- C8 H12 O8 Si -","- C8 H12 O8 Si -","- C16 H24 O16 Si2 -","2","0.25","OB6152","Wicke, Lena; Alig, Edith; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of silicon(IV) acetate","Acta Crystallographica Section E","2002","58","8","o927","o928","10.1107/S1600536802012916","","","0.71073","MoKα","","0.0242","0.0233","","","0.0624","0.0629","","","","","","1.104","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202314","12.557","0.002","12.557","0.002","16.6","0.003","90","","90","","90","","2617.5","0.8","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","zinc diisobutyldithiocarbamoylsulphinate","","- C18 H36 N2 O4 S4 Zn -","- C18 H36 N2 O4 S4 Zn -","- C72 H144 N8 O16 S16 Zn4 -","4","0.5","BT6269","Reck, Günter; Becker, Roland","(<i>N,N</i>-Diisobutyldithiocarbamoylsulfinato)zinc(II)","Acta Crystallographica Section E","2003","59","7","m489","m490","10.1107/S160053680301314X","","","0.71069","MoKα","","0.0342","0.0322","","","0.0915","0.0933","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202927","13.4","0.0019","13.4","0.0019","8.2","0.0016","90","","90","","90","","1472.4","0.4","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","Tetrakis(3,5-dimethylphenyl)tin(IV)","","- C32 H36 Sn -","- C32 H36 Sn -","- C64 H72 Sn2 -","2","0.25","TK6124","I. Wharf; Francine Bélanger-Gariépy","Tetrakis(3,5-dimethylphenyl)tin(IV)","Acta Crystallographica Section E","2003","59","8","m661","m663","10.1107/S1600536803016167","","","1.54178","CuKα","","0.043","0.038","","0.102","","0.099","","","1.13","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202941","12.205","0.0016","12.205","0.0016","5.3588","0.0007","90","","90","","90","","798.26","0.18","100","","100","","","","","","","","","6","P -4 21 c","P -4 2n","114","","Diammonium tetrathiocyanatocobaltate(II) tetrahydrate","","- C4 H8 Co N6 O4 S4 -","- C4 H16 Co N6 O4 S4 -","- C8 H32 Co2 N12 O8 S8 -","2","0.25","WM6002","Becker, Steffi; Lerner, Hans-Wolfram; Bolte, Michael","Diammonium tetrathiocyanatocobaltate(II) tetrahydrate","Acta Crystallographica Section E","2003","59","12","i156","i157","10.1107/S1600536803025029","","","0.71073","MoKα","","0.0616","0.0541","","","0.1726","0.1772","","","","","","1.044","","","","has coordinates,has Fobs","189064","2020-10-21","18:00:00",""
"2204267","12.011","0.0001","12.011","0.0001","14.4768","0.0003","90","","90","","90","","2088.48","0.05","213","2","213","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Bis(μ-N-methylethylamido)bis[tert-butylchloroaluminium]","","- C14 H34 Al2 Cl2 N2 -","- C14 H34 Al2 Cl2 N2 -","- C56 H136 Al8 Cl8 N8 -","4","0.5","BT6510","Hecht, Elmar","Bis(μ-<i>N</i>-methylethylamido)bis[<i>tert</i>-butylchloroaluminium]","Acta Crystallographica Section E","2004","60","10","m1387","m1388","10.1107/S1600536804021622","","","0.71073","MoKα","","0.0873","0.0597","","","0.1086","0.1236","","","","","","1.17","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205124","14.692","0.002","14.692","0.002","8.0106","0.0013","90","","90","","90","","1729.1","0.4","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","2-(5-Ethylpyridin-2-yl)ethanol","","- C9 H13 N O -","- C9 H13 N O -","- C72 H104 N8 O8 -","8","1","NC6018","Yathirajan, Hemmige S.; Gaonkar, Santhosh L.; Bolte, Michael","2-(5-Ethylpyridin-2-yl)ethanol","Acta Crystallographica Section E","2005","61","2","o492","o493","10.1107/S1600536805001947","","","0.71073","MoKα","","0.0348","0.0284","","","0.0685","0.07","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205543","20.2456","0.0006","20.2456","0.0006","8.5209","0.0005","90","","90","","90","","3492.6","0.3","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","2,3-Bis(5-bromothien-2-yl)-6,7-dichloroquinoxaline","","- C16 H6 Br2 Cl2 N2 S2 -","- C16 H6 Br2 Cl2 N2 S2 -","- C128 H48 Br16 Cl16 N16 S16 -","8","1","LH6378","Stacy, Vanessa; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","2,3-Bis(5-bromo-2-thienyl)-6,7-dichloroquinoxaline","Acta Crystallographica Section E","2005","61","4","o904","o905","10.1107/S1600536805006793","","","0.71073","MoKα","","0.0407","0.031","","","0.0644","0.0674","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206904","16.7345","0.0006","16.7345","0.0006","8.7634","0.0006","90","","90","","90","","2454.1","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Chloro{2-[tris(hydroxymethyl)methyliminomethyl]phenolato}copper(II)","","- C11 H14 Cl Cu N O4 -","- C11 H14 Cl Cu N O4 -","- C88 H112 Cl8 Cu8 N8 O32 -","8","1","CI6617","Ni, Jia; Chen, Yao-Wen; Zhang, Haidan","Chloro{2-[tris(hydroxymethyl)methyliminomethyl]phenolato}copper(II)","Acta Crystallographica Section E","2005","61","10","m2093","m2094","10.1107/S1600536805025626","","","0.71073","MoKα","","0.0408","0.0346","","","0.0735","0.0774","","","","","","1.008","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2214111","7.8705","0.0001","7.8705","0.0001","13.4367","0.0007","90","","90","","90","","832.33","0.05","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Poly[bis(μ~3~-dihydrogen malonato)calcium(II)]","","- C6 H6 Ca O8 -","- C6 H6 Ca O8 -","- C24 H24 Ca4 O32 -","4","0.5","CF2099","Aliouane, K.; Rahahlia, N.; Guehria-Laidoudi, A.; Dahaoui, S.; Lecomte, C.","Poly[bis(μ~3~-dihydrogen malonato)calcium(II)]","Acta Crystallographica Section E","2007","63","7","m1834","m1836","10.1107/S1600536807027092","","","0.71073","MoKα","","0.03","0.0284","","","0.0693","0.07","","","","","","1.108","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2214770","18.424","0.001","18.424","0.001","10.1082","0.0011","90","","90","","90","","3431.2","0.5","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","<i>tert</i>-Butyl 3-(4-bromophenylsulfonyl)pyrrolidine-1-carboxylate","","- C15 H20 Br N O4 S -","- C15 H20 Br N O4 S -","- C120 H160 Br8 N8 O32 S8 -","8","1","KP2116","Yao, Zheng; Li, Zhi-Gang; Deng, Jian-Cheng; Xu, Jing-Wei","<i>tert</i>-Butyl 3-(4-bromophenylsulfonyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section E","2007","63","8","o3485","o3485","10.1107/S1600536807032369","","","0.71073","MoKα","","0.0453","0.0325","","","0.0692","0.0734","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215967","24.462","0.0015","24.462","0.0015","8.8325","0.001","90","","90","","90","","5285.3","0.8","292","2","292","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","4,4'-Methylenedianilinium 2,2'-dithiodibenzoate","","- C27 H24 N2 O4 S2 -","- C27 H24 N2 O4 S2 -","- C216 H192 N16 O32 S16 -","8","1","HB2607","Han,Qiuxia","4,4'-Methylenedianilinium 2,2'-dithiodibenzoate","Acta Crystallographica Section E","2007","63","11","o4456","o4456","10.1107/S1600536807052403","","","0.71073","MoKα","","0.1098","0.0859","","","0.1645","0.1743","","","","","","1.166","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218390","11.9375","0.0009","11.9375","0.0009","15.546","0.002","90","","90","","90","","2215.4","0.4","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Bromido-1κBr-tricarbonyl-2κ^3^C-(2η^5^- cyclopentadienyl)molybdenum(I)tungsten(I)(W—Mo)","","- C8 H5 Br Mo O3 W -","- C8 H5 Br Mo O3 W -","- C64 H40 Br8 Mo8 O24 W8 -","8","1","DN2343","Onani, Martin O.; Gertenbach, Jan-André; Bala, Muhammad D.","Bromido-1κ<i>Br</i>-tricarbonyl-2κ^3^<i>C</i>-(2η^5^-cyclopentadienyl)molybdenum(I)tungsten(I)(<i>W</i>—<i>Mo</i>)","Acta Crystallographica Section E","2008","64","6","m780","","10.1107/S1600536808012828","","","0.71073","MoKα","","0.0337","0.0303","","","0.0675","0.0685","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2222006","19.571","0.0009","19.571","0.0009","4.8819","0.0002","90","","90","","90","","1869.89","0.14","296","1","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","4-Amino-2,3,5-trimethylpyridine monohydrate","","- C8 H14 N2 O -","- C8 H14 N2 O -","- C64 H112 N16 O8 -","8","1","FL2246","Dai, Li-Yan; Zhang, Fu-Liang; Shen, Liang; Chen, Ying-Qi","4-Amino-2,3,5-trimethylpyridine monohydrate","Acta Crystallographica Section E","2009","65","6","o1329","","10.1107/S1600536809016833","","","0.71075","MoKα","","","0.0347","","","","0.0876","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222373","14.0195","0.0005","14.0195","0.0005","12.1243","0.0004","90","","90","","90","","2382.99","0.14","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","1-(2-Chlorophenyl)-2-(isopropylamino)ethanol","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","1","IS2416","Tang, Zhan; Xu, Min; Zheng, Gui-Ru; Feng, Hai","1-(2-Chlorophenyl)-2-(isopropylamino)ethanol","Acta Crystallographica Section E","2009","65","7","o1501","","10.1107/S1600536809019953","","","0.71073","MoKα","","0.0799","0.0434","","","0.0719","0.0981","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224272","13.7343","0.0003","13.7343","","12.8253","0.0003","90","","90","","90","","2419.25","0.08","123","2","123","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","3-Hydroxy-<i>N</i>'-isopropylidene-2-naphthohydrazide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","HB5249","Lee, See Mun; Lo, Kong Mun; Ali, Hapipah Mohd; Ng, Seik Weng","3-Hydroxy-<i>N</i>'-isopropylidene-2-naphthohydrazide","Acta Crystallographica Section E","2009","65","12","o3282","","10.1107/S1600536809050661","","","0.71073","MoKα","","0.0514","0.0413","","","0.1053","0.1134","","","","","","1.012","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226585","18.883","0.003","18.883","0.003","7.2442","0.0019","90","","90","","90","","2583","0.9","164","2","164","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","1,3,5,7-Tetrakis(4-iodophenyl)adamantane benzene tetrasolvate","","- C58 H52 I4 -","- C58 H52 I4 -","- C116 H104 I8 -","2","0.25","LH5063","Bats, Jan W.; Pospiech, Steffen; Prisner, Thomas F.","1,3,5,7-Tetrakis(4-iodophenyl)adamantane benzene tetrasolvate","Acta Crystallographica Section E","2010","66","7","o1636","","10.1107/S1600536810021744","","","0.71073","MoKα","","0.0549","0.0395","","","0.1007","0.1048","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227526","19.3839","0.0003","19.3839","0.0003","14.0757","0.0002","90","","90","","90","","5288.74","0.14","100","0.1","100","0.1","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-[(<i>E</i>)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10- diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate","","- C33.5 H30.7 N2 O2.85 -","- C33.5 H30.7 N2 O2.85 -","- C268 H245.6 N16 O22.8 -","8","1","HB5631","Kumar, Raju Suresh; Osman, Hasnah; Perumal, Subbu; Hemamalini, Madhukar; Fun, Hoong-Kun","5-[(<i>E</i>)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate","Acta Crystallographica Section E","2010","66","11","o2736","o2737","10.1107/S1600536810039310","","","0.71073","MoKα","","0.0757","0.0579","","","0.1369","0.1476","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2228000","20.5004","0.0016","20.5004","0.0016","7.0241","0.0007","90","","90","","90","","2952","0.4","100","0.1","100","","","","","","","","","4","P -4 21 c","P -4 2n","114","","(<i>E</i>)-2-(3-Chlorobenzylidene)-5,6-dimethoxy-2,3-dihydro-1<i>H</i>-inden-1-one","","- C18 H15 Cl O3 -","- C18 H15 Cl O3 -","- C144 H120 Cl8 O24 -","8","1","SJ5044","Ali, Mohamed Ashraf; Ismail, Rusli; Tan, Soo Choon; Yeap, Chin Sing; Fun, Hoong-Kun","(<i>E</i>)-2-(3-Chlorobenzylidene)-5,6-dimethoxy-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2010","66","11","o2864","","10.1107/S1600536810040869","","","0.71073","MoKα","","0.0344","0.031","","","0.0812","0.084","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228099","17.962","0.004","17.962","","6.9992","0.0014","90","","90","","90","","2258.2","0.7","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-Ethyl-5-methyl-4-phenyl-5<i>H</i>-1,2,4-triazol-3(4<i>H</i>)-thione","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C88 H104 N24 S8 -","8","1","XU5008","Tan, Kong Wai; Maah, M. Jamil; Ng, Seik Weng","5-Ethyl-5-methyl-4-phenyl-5<i>H</i>-1,2,4-triazol-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2010","66","9","o2224","","10.1107/S1600536810030503","","","0.71073","MoKα","","0.0893","0.0654","","","0.169","0.1855","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2231217","16.1375","0.0006","16.1375","0.0006","7.5887","0.0006","90","","90","","90","","1976.24","0.19","89","2","89","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-Chloro-6-hydroxy-7,8-dimethylchroman-2-one","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C88 H88 Cl8 O24 -","8","1","LH5289","Cameron, Scott A.; Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","5-Chloro-6-hydroxy-7,8-dimethylchroman-2-one","Acta Crystallographica Section E","2011","67","8","o2141","o2142","10.1107/S1600536811029345","","","0.71073","MoKα","","0.0678","0.0497","","","0.1313","0.1425","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231725","19.0863","0.0007","19.0863","0.0007","8.9633","0.0004","90","","90","","90","","3265.2","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C144 H144 O24 S8 -","8","1","WN2447","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Lobo, Prajwal L.; Prasad, D. Jagadeesh; Bojapoojary","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2403","","10.1107/S160053681103323X","","","0.71073","MoKα","","0.0474","0.0358","","","0.0905","0.0996","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232490","14.054","0.003","14.054","0.003","6.1718","0.0016","90","","90","","90","","1219","0.5","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Heptasodium tetraaluminium tetrakis(diphosphate) orthophosphate","","- Al4 Na7 O32 P9 -","- Al4 Na7 O32 P9 -","- Al8 Na14 O64 P18 -","2","0.25","WM2530","Zhao, Dan","Heptasodium tetraaluminium tetrakis(diphosphate) orthophosphate, Na~7~Al~4~(P~2~O~7~)~4~(PO~4~)","Acta Crystallographica Section E","2011","67","11","i64","","10.1107/S1600536811041729","","","0.71073","MoKα","","0.0181","0.017","","","0.0467","0.0471","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233298","13.8883","0.0003","13.8883","0.0003","6.9126","0.0002","90","","90","","90","","1333.34","0.06","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","5,5-dichlorobarbituric acid","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C32 H16 Cl16 N16 O24 -","8","1","SU2351","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Tetragonal polymorph of 5,5-dichlorobarbituric acid","Acta Crystallographica Section E","2012","68","1","o235","o236","10.1107/S1600536811054626","","","0.71073","MoKα","","0.0216","0.0198","","","0.0488","0.0495","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233568","15.1162","0.0017","15.1162","0.0017","10.9448","0.0014","90","","90","","90","","2500.9","0.5","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","1-(Isopropylamino)-3-phenoxypropan-2-ol","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","LX2213","Hou, Xuehui; Li, Zigang; Lv, Quanjian","1-(Isopropylamino)-3-phenoxypropan-2-ol","Acta Crystallographica Section E","2012","68","2","o359","","10.1107/S1600536812000566","","","0.71073","MoKα","","0.1337","0.0643","","","0.1486","0.2211","","","","","","1.155","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233920","16.058","0.002","16.058","0.002","14.343","0.003","90","","90","","90","","3698.5","1","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","DL-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","LD2046","Zhao, Jing-Min","<small>DL</small>-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","3","o745","","10.1107/S1600536812005892","","","0.71073","MoKα","","0.147","0.0663","","","0.1293","0.1607","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234234","15.2631","0.0004","15.2631","","8.0571","0.0004","90","","90","","90","","1877","0.11","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","<i>N</i>-(4-Sulfamoylphenyl)acetamide","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C64 H80 N16 O24 S8 -","8","1","HB6682","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-(4-Sulfamoylphenyl)acetamide","Acta Crystallographica Section E","2012","68","4","o1155","","10.1107/S1600536812011701","","","0.71073","MoKα","","0.0381","0.0318","","","0.0751","0.0791","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235585","10.9928","0.0019","10.9928","0.0019","21.4549","0.0019","90","","90","","90","","2592.6","0.7","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Tetrakis[μ-<i>N</i>-(2,4,6-trimethylphenyl)acetamidato]- κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile- κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","","- C58 H66 N6 O4 Rh2 -","- C58 H66 N6 O4 Rh2 -","- C116 H132 N12 O8 Rh4 -","2","0.25","QK2033","Eagle, Cassandra T.; Kpogo, Kenneth K.; Zink, Landon C.; Smith, Albert E.","Tetrakis[μ-<i>N</i>-(2,4,6-trimethylphenyl)acetamidato]-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section E","2012","68","7","m877","","10.1107/S1600536812024518","","","0.71075","MoKα","","0.0727","0.0359","","","0.0651","0.074","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235814","18.9013","0.0004","18.9013","0.0004","9.9174","0.0004","90","","90","","90","","3543.08","0.18","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Diaqua[μ-11,23-di-<i>tert</i>-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^<i>N</i>^3^<i>,N</i>^7^,<i>O</i>^25^,<i>O</i>^26^:κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>^25^,<i>O</i>^26^]dicopper(II) bis(perchlorate)","","- C30 H42 Cl2 Cu2 N4 O12 -","- C30 H42 Cl2 Cu2 N4 O12 -","- C120 H168 Cl8 Cu8 N16 O48 -","4","0.5","GK2504","Xu, Qiang; Wang, Zhaodong; He, Jiahong; Song, Zhongrong; Chen, Fengming; Meng, Jiangping; Hu, Chengbo","Diaqua[μ-11,23-di-<i>tert</i>-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^<i>N</i>^3^,<i>N</i>^7^,<i>O</i>^25^,<i>O</i>^26^:κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>^25^,<i>O</i>^26^]dicopper(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","8","m1060","m1061","10.1107/S1600536812031248","","","0.71073","MoKα","","0.0515","0.0385","","","0.1019","0.115","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2237977","22.4689","0.0007","22.4689","0.0007","8.2443","0.0003","90","","90","","90","","4162.1","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","1","PK2475","Wang, Ke; Wang, Yifeng; Yao, Minjie; Xu, Danqian","Diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2013","69","5","o785","","10.1107/S1600536813009951","","","0.71073","MoKα","","0.09","0.0587","","","0.1472","0.1671","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238074","14.058","0.002","14.058","0.002","6.3103","0.0008","90","","90","","90","","1247.1","0.3","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Heptasodium tetrachromium(III) tetrakis(diphosphate) orthophosphate","","- Cr4 Na7 O32 P9 -","- Cr4 Na7 O32 P9 -","- Cr8 Na14 O64 P18 -","2","0.25","WM2734","Bourguiba Fakhar, Noura; Zid, Mohamed Faouzi; Driss, Ahmed","Na~7~Cr~4~(P~2~O~7~)~4~PO~4~","Acta Crystallographica Section E","2013","69","5","i27","i28","10.1107/S1600536813008726","","","0.71073","MoKα","","0.0259","0.0226","","","0.0591","0.0603","","","","","","1.123","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239708","9.6622","0.0006","9.6622","0.0006","9.38","0.001","90","","90","","90","","875.7","0.12","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Tetrapotassium tetra[nickel(II)/iron(III)] pentakis(orthophosphate)","","- Fe3.19 K3.84 Ni0.78 O20 P5 -","- Fe3.196 K3.84 Ni0.784 O20 P5 -","- Fe6.392 K7.68 Ni1.568 O40 P10 -","2","0.25","WM5027","Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Livitska, Oksana V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","The solid solution K~3.84~Ni~0.78~Fe~3.19~(PO~4~)~5~","Acta Crystallographica Section E","2014","70","7","i39","i40","10.1107/S1600536814013609","","","0.71073","MoKα","","0.0455","0.0398","","","","0.0954","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240234","10.6","0.01","10.6","0.01","7.03","0.01","90","","90","","90","","789.9","1.5","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Tetrakis(pyridin-2-yl)methane","Tetrakis(pyridin-2-yl)methane","","- C21 H16 N4 -","- C21 H16 N4 -","- C42 H32 N8 -","2","0.25","PK2537","Matsumoto, Kouzou; Kannami, Masaki; Fuyuhiro, Akira; Oda, Masaji","Crystal structure of a second polymorph of tetrakis(pyridin-2-yl)methane","Acta Crystallographica Section E","2014","70","12","o1277","o1278","10.1107/S1600536814025057","","","0.71075","MoKα","","0.037","0.036","","","0.089","0.09","","","","","","1.07","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240550","22.765","0.002","22.765","0.002","22.101","0.003","90","","90","","90","","11454","2","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","Heptakis(2,6-dimethylphenyl isocyanide-κ<i>C</i>)vanadium(I) iodide'","Heptakis(2,6-dimethylphenylisocyanido-κ<i>C</i>)vanadium(I) iodide","","- C63 H63 I N7 V -","- C63 H63 I N7 V -","- C504 H504 I8 N56 V8 -","8","1","WM5140","Minyaev, Mikhail E.; Ellis, John E.","Crystal structure of heptakis(2,6-dimethylphenyl isocyanide-κ<i>C</i>)vanadium(I) iodide","Acta Crystallographica Section E","2015","71","4","431","434","10.1107/S2056989015006015","","","0.71073","MoKα","","0.0443","0.0351","","","0.0753","0.0792","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2242507","21.8333","0.0002","21.8333","0.0002","8.67551","0.00017","90","","90","","90","","4135.55","0.1","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","2-[(β-Arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile","","- C23 H20 N2 O4 S -","- C23 H20 N2 O4 S -","- C184 H160 N16 O32 S8 -","8","1","HB7743","Hammad, Sherif F.; Masoud, Doaa M.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of racemic 2-[(β-arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2018","74","6","853","856","10.1107/S2056989018007284","","","1.54184","CuKα","","0.0336","0.0289","","","0.0697","0.0723","","","","","","1.039","","","","has coordinates,has Fobs","207963","2020-10-21","18:00:00",""
"2244022","15.6121","0.0016","15.6121","0.0016","11.8359","0.0013","90","","90","","90","","2884.9","0.5","298","2","298.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","Tetra-μ~3~-sulfato-tetrakis[bis(3-methylpyridine)cobalt(II)]","","- C48 H56 Co4 N8 O16 S4 -","- C48 H56 Co4 N8 O16 S4 -","- C96 H112 Co8 N16 O32 S8 -","2","0.25","ZL5027","Park, Ava M.; Golen, James A.; Manke, David R.","A cuboidal [Cu~4~(SO~4~)~4~] structure supported by β-picoline ligands","Acta Crystallographica Section E","2022","78","2","108","110","10.1107/S2056989022000780","","","0.71073","MoKα","","0.0212","0.019","","","0.0445","0.0459","","","","","","1.139","","","","has coordinates,has Fobs","272344","2022-01-29","03:01:04",""
"2310544","17.08","","17.08","","7.69","","90","","90","","90","","2243.38","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","(Zr O) Cl2 (H2 O)8","","- Cl2 H16 O9 Zr -","- Cl2 O9 Zr -","- Cl16 O72 Zr8 -","8","1","","Clearfield, A.; Vaughan, P.A.","The crystal structure of zirconyl chloride octahydrate and zirconyl bromide octahydrate","Acta Crystallographica (1,1948-23,1967)","1956","9","","555","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310545","17.65","","17.65","","7.95","","90","","90","","90","","2476.6","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Zr O Br2 (H2 O)8","","- Br2 H16 O9 Zr -","- Br2 O9 Zr -","- Br16 O72 Zr8 -","8","1","","Clearfield, A.; Vaughan, P.A.","The Crystal Structure of Zirconyl Chloride Octahydrate and Zirconyl Bromide Octahydrate","Acta Crystallographica (1,1948-23,1967)","1956","9","","555","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310634","9.636","","9.636","","5.28","","90","","90","","90","","490.261","","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","(Se O3)4","","- O12 Se4 -","- O12 Se4 -","- O24 Se8 -","2","0.25","","Mijlhoff, F.C.","The crystal structure of tetragonal selenium trioxide","Acta Crystallographica (1,1948-23,1967)","1965","18","","795","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","214434","2020-10-21","18:00:00",""
"2310697","9.193","","9.193","","4.299","","90","","90","","90","","363.314","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","(N S F)4","","- F4 N4 S4 -","- F4 N4 S4 -","- F8 N8 S8 -","2","0.25","","Wiegers, G.A.; Vos, A.","Refinement of the structure of tetrathiazylfluoride, (N S F)4","Acta Crystallographica (1,1948-23,1967)","1963","16","","152","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","151891","2020-10-21","18:00:00",""
"2311557","20.0633","0.0004","20.0633","0.0004","16.8156","0.0004","90","","90","","90","","6768.9","0.2","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","(Diphenylamido-κ<i>N</i>){3-methyl-6-[(4-methylphenyl)(phenylazanidyl)methylidene]cyclohexa-2,4-dien-1-yl-κ^2^<i>N</i>,<i>C</i>^1^}(η^5^-pentamethylcyclopentadienyl)titanium(IV)","","- C43 H44 N2 Ti -","- C43 H44 N2 Ti -","- C344 H352 N16 Ti8 -","8","1","WM5424","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the η<sup>4</sup>-ketimine titanium complex (di-phenyl-amido-κ<i>N</i>){3-methyl-6-[(4-methyl-phen-yl)(phenyl-aza-nid-yl)methyl-idene]cyclo-hexa-2,4-dien-1-yl-κ<sup>2</sup><i>N</i>,<i>C</i><sup>1</sup>}(η<sup>5</sup>-penta-methyl-cyclo-penta-dien-yl)titanium(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","34","37","10.1107/S2056989017017455","","","0.71073","MoKα","","0.0546","0.0432","","","0.1031","0.1104","","","","","","1.07","","","","has coordinates","245980","2020-10-21","18:00:00",""
"2311592","10.0293","0.0005","10.0293","0.0005","16.8924","0.0009","90","","90","","90","","1699.15","0.15","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Poly[(4-chloropyridine-2,6-dicarboxylato)zinc(II)]","","- C7 H2 Cl N O4 Zn -","- C7 H2 Cl N O4 Zn -","- C56 H16 Cl8 N8 O32 Zn8 -","8","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0353","0.0264","","","0.0617","0.064","","","","","","1.068","","","","has coordinates","246005","2020-10-21","18:00:00",""
"2311593","10.05","0.001","10.05","0.001","16.506","0.0016","90","","90","","90","","1667.1","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Poly[[(4-hydroxypyridine-2,6-dicarboxylato)zinc(II)] monohydrate]","","- C14 H10 N2 O12 Zn2 -","- C14 H10 N2 O12 Zn2 -","- C56 H40 N8 O48 Zn8 -","4","0.5","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0382","0.0334","","","0.0774","0.0787","","","","","","1.074","","","","has coordinates","246005","2020-10-21","18:00:00",""
"2311848","16.7143","0.0004","16.7143","0.0004","9.4518","0.0005","90","","90","","90","","2640.53","0.17","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C11 H7 N5 O4 S Zn -","- C11 H7 N5 O4 S Zn -","- C88 H56 N40 O32 S8 Zn8 -","8","1","YF3096","Liu, Yang; Feng, Yong Lan; Fu, Wei Wei","A new two-dimensional extended adenine and thiophenecarboxylate mixed-ligand zinc(II) complex: synthesis, structure, thermostability and luminescent properties.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 12","1069","1073","10.1107/S2053229615021221","","","0.71073","MoKα","","0.0704","0.0639","","","0.1792","0.1864","","","","","","1.138","","","","has coordinates","246137","2020-10-21","18:00:00",""
"4000922","8.9181","0.0003","8.9181","0.0003","7.9708","0.0006","90","","90","","90","","633.94","0.06","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- H2 O7 Se2 V -","- H O3.5 Se V0.5 -","- H8 O28 Se8 V4 -","8","1","","Kim, Sang-Hwan; Yeon, Jeongho; Sefat, Athena S.; Mandrus, David G.; Halasyamani, P. Shiv","Stereo-Active Lone-Pair Control on the Ferromagnetic Behavior in VO(SeO2OH)2: A New Acentric Ferromagnetic Material","Chemistry of Materials","2010","22","24","6665","","10.1021/cm102659w","","","0.71073","MoKα","","0.0186","0.0125","","","","0.0303","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001795","7.5879","0.0003","7.5879","0.0003","11.5313","0.0009","90","","90","","90","","663.93","0.06","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C4 H4 Lu Na5 O14 -","- C4 H4 Lu Na5 O14 -","- C8 H8 Lu2 Na10 O28 -","2","0.25","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0145","0.0139","","","0.0307","0.0309","","","","","","1.302","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001947","13.0397","0.0012","13.0397","0.0012","6.3042","0.0012","90","","90","","90","","1071.9","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S3 -","- Ba Cu0.25 Ga1.25 S3 -","- Ba8 Cu2 Ga10 S24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0212","0.0211","","","0.0577","0.0578","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001948","13.1585","0.0002","13.1585","0.0002","6.352","0.0002","90","","90","","90","","1099.82","0.04","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S2.32 Se0.68 -","- Ba Cu0.25 Ga1.25 S2.248 Se0.719 -","- Ba8 Cu2 Ga10 S17.984 Se5.752 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0193","0.0181","","","0.0398","0.0402","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001949","13.5975","0.0014","13.5975","0.0014","6.5266","0.0013","90","","90","","90","","1206.7","0.3","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 Se3 -","- Ba Cu0.25 Ga1.25 Se3 -","- Ba8 Cu2 Ga10 Se24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0278","0.0264","","","0.0665","0.0673","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4020769","20.8569","0.0004","20.8569","0.0004","9.0442","0.0002","90","","90","","90","","3934.32","0.14","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Ni tetrabenzoporphyrin","","","- C77 H53 Cl3 N4 Ni O16 -","- C79.22 H55.22 Cl9.66 N4 Ni O16 -","- C158.44 H110.44 Cl19.32 N8 Ni2 O32 -","2","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Irina P. Beletskaya; Patrick J. Carroll; Sergei A. Vinogradov","Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins","Journal of Organic Chemistry","2004","69","","522","535","10.1021/jo0350054","","","","","","","0.0617","","","0.1583","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4023133","16.004","0.007","16.004","0.007","7.492","0.002","90","","90","","90","","1918.9","1.3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C7 H10 O4 S2 -","- C7 H10 O4 S2 -","- C56 H80 O32 S16 -","8","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","","0.71069","MoKα","","0.0615","0.0356","","","0.0775","0.0852","","","","","","1.003","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023745","17.2898","0.0003","17.2898","0.0003","14.4921","0.0004","90","","90","","90","","4332.23","0.16","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C46 H54 Se4 -","- C46 H54.948 Se4 -","- C184 H219.792 Se16 -","4","0.5","","Daniel B. Werz; Felix R. Fischer; Stefan C. Kornmayer; Frank Rominger; Rolf Gleiter","Macrocyclic Cyclophanes with Two and Three α,ω-Dichalcogena-1,4-diethynylaryl Units: Syntheses and Structural Properties","Journal of Organic Chemistry","2008","73","","8021","8029","10.1021/jo801378p","","x-ray","0.71073","MoKα","","0.1385","0.0408","","","0.066","0.0883","","","","","","1.013","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4025866","18.283","0.004","18.283","0.004","7.148","0.002","90","","90","","90","","2389.3","1","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","2-ethyl-2-(2-iodylphenyl)butanoic acid","Pseudocyclic IBX Acid2","","- C12 H15 I O4 -","- C12 H15 I O4 -","- C96 H120 I8 O32 -","8","1","","Jarugu Narasimha Moorthy; Kalyan Senapati; Keshaba Nanda Parida","6-Membered Pseudocyclic IBX Acids: Syntheses, X-ray Structural Characterizations, and Oxidation Reactivities in Common Organic Solvents","Journal of Organic Chemistry","2010","75","","8416","8421","10.1021/jo101639j","","","0.71073","MoKα","","0.0594","0.0435","","","0.088","0.118","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026197","14.4658","0.0019","14.4658","0.0019","13.482","0.0018","90","","90","","90","","2821.2","0.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","2,6-Bis(triisopropylsilyl)-cyclopenta[2,1-b;3,4-b']dithiazole-4-one","","- C25 H42 N2 O S2 Si2 -","- C25 H42 N2 O S2 Si2 -","- C100 H168 N8 O4 S8 Si8 -","4","0.5","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0401","0.0344","","","0.0877","0.0929","","","","","","0.964","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4028016","15.9127","0.0003","15.9127","0.0003","19.3896","0.0005","90","","90","","90","","4909.72","0.18","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(26IO)4","","","- C48 H28 N12 O8 -","- C48 H28 N12 O8 -","- C192 H112 N48 O32 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.046","0.0422","","","0.1135","0.1164","","","","","","1.023","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028020","22.7814","0.0001","22.7814","0.0001","19.0308","0.0001","90","","90","","90","","9876.84","0.08","294","2","294","2","","","","","","","","5","P -4 21 c","P -4 2n","114","(26IO)4_OC","","","- C99 H61 Cl7 N24 O16 -","- C99 H61 Cl7 N24 O16 -","- C396 H244 Cl28 N96 O64 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0487","0.0458","","","0.1316","0.1358","","","","","","1.028","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028675","20.32","0.003","20.32","0.003","8.7899","0.0018","90","","90","","90","","3629.4","1.1","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C19 H18 Br Cl N2 -","- C19 H18 Br Cl N2 -","- C152 H144 Br8 Cl8 N16 -","8","1","","Bifu Liu; Hanling Gao; Yue Yu; Wanqing Wu; Huanfeng Jiang","Palladium-Catalyzed Intermolecular Aerobic Oxidative Cyclization of 2-Ethynylanilines with Isocyanides: Regioselective Synthesis of 4-Halo-2-aminoquinolines","Journal of Organic Chemistry","2013","78","","10319","10328","10.1021/jo401707j","","","0.71073","MoKα","","0.0726","0.0506","","","0.1456","0.159","","","","","","1.017","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4029841","22.6533","0.0016","22.6533","0.0016","7.243","0.0014","90","","90","","90","","3716.9","0.8","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C152 H104 N40 O16 -","8","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1175","0.0645","","","0.1608","0.1793","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030016","17.55","0.008","17.55","0.008","5.619","0.003","90","","90","","90","","1730.7","1.4","93","","93","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C48.5 H39 O3 -","- C48.5 H39.5 O3 -","- C97 H79 O6 -","2","0.25","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","","0.051","","","","0.1309","","","","","","1.099","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030895","13.502","0.001","13.502","0.001","7.9504","0.0008","90","","90","","90","","1449.4","0.2","","","293","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na3 S4 V -","- Na3 S4 V -","- Na24 S32 V8 -","8","1","","Klepp, K. O.; Gabl, G.","New complex sulfides of the Va-metals : Preparation and crystal structure of Na3VS4 (with a note on the crystal structure of the low temperature modofication of Na3PO4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1143","1154","","","x-ray","0.71073","MoKα","","","0.017","","","0.015","","","","","","","0.89","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4031837","13.2491","0.0008","13.2491","0.0008","16.54","0.003","90","","90","","90","","2903.4","0.6","120","","120","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C24 F16 S8 -","- C24 F16 S8 -","- C96 F64 S32 -","4","0.5","","Skowron, Pierre-Thomas; Dumartin, Melissa; Jeamet, Emeric; Perret, Florent; Gourlaouen, Christophe; Baudouin, Anne; Fenet, Bernard; Naubron, Jean-Valère; Fotiadu, Frédéric; Vial, Laurent; Leclaire, Julien","On-Demand Cyclophanes: Substituent-Directed Self-Assembling, Folding, and Binding.","The Journal of organic chemistry","2016","81","2","654","661","10.1021/acs.joc.5b02605","","x-ray","1.54184","CuKα","","0.0718","0.0637","","0.139","0.1242","0.139","","","","","","1.0281","","","","has coordinates","175702","2020-10-21","18:00:00",""
"4032307","23.4927","0.0017","23.4927","0.0017","9.703","0.0009","90","","90","","90","","5355.2","0.7","113","2","113","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33 H31 F N2 O2 S -","- C33 H31 F N2 O2 S -","- C264 H248 F8 N16 O16 S8 -","8","1","","Liu, Qiangqiang; Wang, Chan; Li, Qiang; Hou, Yajie; Wu, Ye; Liu, Lingyan; Chang, Weixing; Li, Jing","Povarov Reaction of Cycloiminium Formed in Situ via Hydroamination Cycloisomerization of Homopropargylic Amines with Electron-Rich Olefins.","The Journal of organic chemistry","2017","82","2","950","958","10.1021/acs.joc.6b02496","","","0.71073","MoKα","","0.0284","0.0262","","","0.0707","0.072","","","","","","1.037","","","","has coordinates","193289","2020-10-21","18:00:00",""
"4032493","19.0974","0.0009","19.0974","0.0009","8.3204","0.0004","90","","90","","90","","3034.5","0.2","100.02","","100.02","","","","","","","","","5","P -4 21 c","P -4 2n","114","","5,10,15,20-tetrakis((4-bromophenyl)thio)-2,3,7,8,12,13,17,18-octaethylporphyrin","","- C60 H58 Br4 N4 S4 -","- C60 H58 Br4 N4 S4 -","- C120 H116 Br8 N8 S8 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0361","0.0318","","","0.07","0.0713","","","","","","1.048","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4035642","17.5225","0.0004","17.5225","0.0004","13.2022","0.0007","90","","90","","90","","4053.6","0.3","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H18 N2 O2 S2 -","- C22 H18 N2 O2 S2 -","- C176 H144 N16 O16 S16 -","8","1","","Liu, Bei-Bei; Cao, Wen-Bin; Wang, Fei; Wang, Shun-Yi; Ji, Shun-Jun","[4 + 1] Cycloaddition Reaction of α,β-Alkynic Hydrazones and KSCN under Transition-Metal-Free Conditions: Synthesis of N-Iminoisothiazolium Ylides.","The Journal of organic chemistry","2018","83","18","11118","11124","10.1021/acs.joc.8b01725","","","0.71073","MoKα","","0.055","0.038","","","0.0882","0.1086","","","","","","1.135","","","","has coordinates","227091","2020-10-21","18:00:00",""
"4036219","16.391","0.003","16.391","0.003","11.774","0.002","90","","90","","90","","3163.3","1","293","2","293","2","","","","","","","see text","5","P -4 21 c","P -4 2n","114","","","","- C18 H15 F N2 O3 -","- C18 H15 F N2 O3 -","- C144 H120 F8 N16 O24 -","8","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.0393","0.0353","","","0.0816","0.0851","","","","","","1.113","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4037515","21.76262","0.00016","21.76262","0.00016","7.96088","0.00012","90","","90","","90","","3770.37","0.07","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","","Funt, Liya D.; Tomashenko, Olesya A.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Pyrrolotriazoloisoquinoline Frameworks by Intramolecular Cu-Mediated or Free Radical Arylation of Triazoles.","The Journal of organic chemistry","2017","82","14","7583","7594","10.1021/acs.joc.7b01341","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0725","0.0741","","","","","","1.055","","","","has coordinates","236273","2020-10-21","18:00:00",""
"4037687","17.2396","0.0002","17.2396","0.0002","8.5097","0.0002","90","","90","","90","","2529.12","0.07","200","","200","","","","","","","","local","3","P -4 21 c","P -4 2n","114","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C120 H128 N16 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0367","0.033","","0.0843","0.0815","0.0843","","","","","","0.9965","","","","has coordinates","245343","2020-10-21","18:00:00",""
"4037809","23.9419","0.001","23.9419","0.001","10.1217","0.0003","90","","90","","90","","5801.9","0.4","200","2","200","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H22 I3 N3 -","- C20 H22 I3 N3 -","- C160 H176 I24 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1114","0.0613","","","0.1361","0.1531","","","","","","1.12","","","","has coordinates","258188","2020-10-21","18:00:00",""
"4061137","28.98","0.002","28.98","0.002","9.3367","0.0008","90","","90","","90","","7841.3","1","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C26 H34 B2 N8 Tl2 -","- C26 H34 B2 N8 Tl2 -","- C208 H272 B16 N64 Tl16 -","8","1","","Zhang, Fan; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Tl(I)-, Cu(I)-, and Ag(I) Complexes of the Ditopic 1,3-Phenylene-Bridged Heteroscorpionate Ligand [1,3-C6H4(tBuBpz2)2]2-","Organometallics","2004","23","21","5075","5080","10.1021/om049531c","","","","","","","","","","","","","","","","","","","","","has coordinates","209901","2020-10-21","18:00:00",""
"4061913","18.9056","0.0012","18.9056","0.0012","7.5524","0.0007","90","","90","","90","","2699.4","0.3","110","0","110","2","","","","","","","","7","P -4 21 c","P -4 2n","114","1,3-Bis(chloromercurio)tetrafluorobenzene-DMF","","","- C9 H7 Cl2 F4 Hg2 N O -","- C9 H7 Cl2 F4 Hg2 N O -","- C72 H56 Cl16 F32 Hg16 N8 O8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062698","20.26","0.0007","20.26","0.0007","16.5838","0.0007","90","","90","","90","","6807.1","0.4","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C35 H41 Br Co N5 -","- C35 H41 Br Co N5 -","- C280 H328 Br8 Co8 N40 -","8","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon","","Organometallics","2004","","","","","10.1021/om049489l","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4064345","22.7127","0.0008","22.7127","0.0008","10.0886","0.0004","90","","90","","90","","5204.4","0.3","173","2","173","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C35 H29 B -","- C35 H29 B -","- C280 H232 B8 -","8","1","","Mercier, Lauren G.; Furukawa, Shunsuke; Piers, Warren E.; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Parvez, Masood; Harrington, Ross W.; Clegg, William","Design, Synthesis, and Characterization of Functionalized Silepins: High Quantum Yield Blue Emitters","Organometallics","2011","30","6","1719","","10.1021/om2000597","","","1.54178","CuKα","","0.043","0.0336","","","0.0777","0.0826","","","","","","1.019","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064606","19.9573","0.0008","19.9573","0.0008","18.9437","0.0008","90","","90","","90","","7545.2","0.5","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(mu-P(iPr)2)2[NiCl(CNArDipp2)]2","","","- C81 H110 Cl2 N2 Ni2 P2 -","- C74 H102 Cl2 N2 Ni2 P2 -","- C296 H408 Cl8 N8 Ni8 P8 -","4","0.5","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0666","0.0626","","","0.1865","0.1893","","","","","","1.041","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4065027","19.5247","0.0008","19.5247","0.0008","9.9352","0.0003","90","","90","","90","","3787.4","0.2","100","1","100","1","","","","","","","","6","P -4 21 c","P -4 2n","114","s259","","","- C96 H76 Cl2 Fe4 P4 Ru -","- C96 H76 Cl2 Fe4 P4 Ru -","- C192 H152 Cl4 Fe8 P8 Ru2 -","2","0.25","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71073","MoKα","","0.0552","0.0421","","","0.0889","0.096","","","","","","0.857","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065028","12.818","0.0002","12.818","0.0002","22.846","0.0003","90","","90","","90","","3753.62","0.1","223","1","223","1","","","","","","","","4","P -4 21 c","P -4 2n","114","Compound X","","","- C96 H70 P4 Ru -","- C96 H70 P4 Ru -","- C192 H140 P8 Ru2 -","2","0.25","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71073","MoKα","","0.0341","0.0269","","","0.0612","0.0664","","","","","","1.037","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065709","22.078","0.005","22.078","0.005","8.932","0.003","90","","90","","90","","4354","2","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C23 H28 N Yb -","- C23 H28 N Yb -","- C184 H224 N8 Yb8 -","8","1","","Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong","Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes","Organometallics","2010","29","9","2111","","10.1021/om100089a","","","0.71073","MoKα","","0.1142","0.055","","","0.1222","0.1355","","","","","","0.954","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4067699","17.1459","0.0007","17.1459","0.0007","17.4839","0.0005","90","","90","","90","","5139.9","0.3","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C55 H68 Cl2 N2 O2 Ti -","- C55 H68 Cl2 N2 O2 Ti -","- C220 H272 Cl8 N8 O8 Ti4 -","4","0.5","","Romain, Charles; Brelot, Lydia; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","Synthesis and Structural Characterization of a Novel Family of Titanium Complexes Bearing a Tridentate Bis-phenolate-N-heterocyclic Carbene Dianionic Ligand and Their Use in the Controlled ROP ofrac-Lactide","Organometallics","2010","29","5","1191","","10.1021/om901084n","","","0.71073","MoKα","","0.1006","0.0616","","","0.1327","0.1582","","","","","","1.044","","","","has coordinates,has disorder","178567","2020-10-21","18:00:00",""
"4068660","14.681","0.002","14.681","0.002","12.538","0.004","90","","90","","90","","2702.3","1","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C19 H26 Cl4 N2 Pd2 Te2 -","- C20 H24 Cl8 N2 Pd2 Te2 -","- C80 H96 Cl32 N8 Pd8 Te8 -","4","0.5","","Kaur, Rupinder; Menon, Saija C.; Panda, Snigdha; Singh, Harkesh B.; Patel, Rajan P.; Butcher, Ray J.","Facile Cleavage of Organochalcogen Hybrid (NEEN, NEN, EN, where E = Se or Te) Ligand C−E and E−E Bonds by Pd(II)","Organometallics","2009","28","8","2363","","10.1021/om801015e","","","0.71073","MoKα","","0.0692","0.0364","","","0.0855","0.1478","","","","","","0.951","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4069288","18.045","0.003","18.045","0.003","26.868","0.005","90","","90","","90","","8749","3","113","2","113","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H60 N4 O0.5 Sm -","- C42 H60 N4 O0.5 Sm -","- C336 H480 N32 O4 Sm8 -","8","1","","Hao, Jingjun; Song, Haibin; Cui, Chunming","Monomeric and Linear Polymeric Samarium(II) Complexes of the 2-(N-Arylimino)pyrrolide Ligand","Organometallics","2009","28","10","3100","","10.1021/om9001236","","","0.71073","MoKα","","0.0993","0.0823","","","0.2355","0.2544","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4069708","15.0494","0.0007","15.0494","0.0007","20.1228","0.0015","90","","90","","90","","4557.5","0.5","140","2","140","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22.5 H40 Cl O P -","- C22.5 H40 Cl O P -","- C180 H320 Cl8 O8 P8 -","8","1","","Solari, Euro; Gauthier, Sébastien; Scopelliti, Rosario; Severin, Kay","Multifaceted Chemistry of [(Cymene)RuCl2]2and PCy3","Organometallics","2009","28","15","4519","","10.1021/om900374e","","","0.71073","MoKα","","0.1385","0.0598","","","0.0477","0.0634","","","","","","0.883","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070774","19.933","0.001","19.933","0.001","11.6274","0.0011","90","","90","","90","","4619.9","0.5","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","[Ir(ICy)(COD)Cl]","","","- C23 H36 Cl Ir N2 -","- C23 H36 Cl Ir N2 -","- C184 H288 Cl8 Ir8 N16 -","8","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0438","0.037","","","0.0881","0.0904","","","","","","1.077","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4072382","23.531","0.003","23.531","0.003","9.3592","0.0019","90","","90","","90","","5182.3","1.4","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C23 H41 B F4 N P Pd -","- C23 H41 B F4 N P Pd -","- C184 H328 B8 F32 N8 P8 Pd8 -","8","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.025","0.0224","","","0.0489","0.0499","","","","","","1.022","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4073746","15.3065","0.0005","15.3065","0.0005","16.118","0.001","90","","90","","90","","3776.3","0.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H110 Li6 N4 O12 -","- C72 H110 Li6 N4 O12 -","- C144 H220 Li12 N8 O24 -","2","0.25","","Koller, Jürgen; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of (2,6-iPrNCN)HfCl2-and (3,5-MeNCN)2Hf2-(where NCN = 2,6-bis[phenylazanidyl]methylphenyl): New Trianionic Pincer Ligands","Organometallics","2007","26","22","5438","","10.1021/om700597u","","","0.71073","MoKα","","0.086","0.0493","","","0.1221","0.1384","","","","","","0.943","","","","has coordinates,has disorder","178626","2020-10-21","18:00:00",""
"4074980","16.799","0.0011","16.799","","6.7283","0.0004","90","","90","","90","","1898.77","0.17","295","","295","","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","10, [Pt2(L)(CO)2]","","","- C24 H12 N2 O2 Pt2 -","- C24 H12 N2 O2 Pt2 -","- C96 H48 N8 O8 Pt8 -","4","0.5","","Zucca, Antonio; Petretto, Giacomo Luigi; Stoccoro, Sergio; Cinellu, Maria Agostina; Minghetti, Giovanni; Manassero, Mario; Manassero, Carlo; Male, Louise; Albinati, Alberto","Dinuclear C,N,C Cyclometalated Platinum Derivatives with Bridging Delocalized Ligands. Fourfold Deprotonation of 6,6‘-Diphenyl-2,2‘-bipyridine, H4L, Promoted by “Pt(R)2” Fragments (R = Me, Ph). Crystal Structures of [Pt2(L)(3,5-Me2py)2] and {Pt2(L)(dppe)}2(dppe = 1,2-Bis(diphenylphosphino)ethane). X-ray Powder Diffraction of [Pt2(L)(CO)2]","Organometallics","2006","25","9","2253","","10.1021/om051075k","powder diffraction","","","Cu","","","","","","","","0.267","","5.33","","","","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4075084","22.2933","0.0008","22.2933","0.0008","14.1706","0.0007","90","","90","","90","","7042.7","0.5","293","2","293","2","","","","","","","","9","P -4 21 c","P -4 2n","114","","","","- C108 H172 Cl4 Cu4 Ge4 I4 N8 O8 Si8 -","- C108 H172 Cl4 Cu4 Ge4 I4 N8 O8 Si8 -","- C216 H344 Cl8 Cu8 Ge8 I8 N16 O16 Si16 -","2","0.25","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1191","0.0509","","","0.1132","0.1467","","","","","","0.916","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4076367","17.895","0.0004","17.895","0.0019","16.1841","0.0002","90","","90","","90","","5182.7","0.6","150","1","150","1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C19 H40 Cl N3 Si2 Sn -","- C19 H40 Cl N3 Si2 Sn -","- C152 H320 Cl8 N24 Si16 Sn8 -","8","1","","Chlupatý, Tomáš; Padělková, Zdeňka; DeProft, Frank; Willem, Rudolph; Růžička, Aleš","Addition of Lappert's Stannylenes to Carbodiimides, Providing a New Class of Tin(II) Guanidinates","Organometallics","2012","31","6","2203","","10.1021/om201118m","","","0.71073","MoKα","","0.05","0.0322","","","0.0557","0.0649","","","","","","1.177","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4077418","22.882","0.011","22.882","0.011","12.761","0.007","90","","90","","90","","6681","6","235","","235","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H44 Cl2 O4 Zr -","- C30 H44 Cl2 O4 Zr -","- C240 H352 Cl16 O32 Zr8 -","8","1","","Damrau, Hans-Robert H.; Royo, Eva; Obert, Stephan; Schaper, Frank; Weeber, Armin; Brintzinger, Hans-Herbert","Racemo-Selective Synthesis ofansa-Zirconocene Derivates from Zirconium Biphenolate Complexes","Organometallics","2001","20","25","5258","","10.1021/om010605j","","","0.71073","MoKα","","0.0943","0.0591","","0.1747","0.1354","","","","1.054","1.105","1.105","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4079055","14.9723","0.0004","14.9723","0.0004","15.2555","0.0009","90","","90","","90","","3419.8","0.2","100","1","100","1","","","","","","","see text","4","P -4 21 c","P -4 2n","114","","","","- C19 H26 Br Ta -","- C19 H26 Br Ta -","- C152 H208 Br8 Ta8 -","8","1","","Otten, Edwin; Meetsma, Auke; Hessen, Bart","ansa-Cyclopentadienyl-Arene Tantalum Complexes: Structure and Reactivity of Neutral, Cationic, and Dicationic Derivatives","Organometallics","2012","31","17","6071","","10.1021/om300421m","","","0.71073","MoKα","","0.0385","0.0307","","","0.0662","0.0693","","","","","","1.042","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4080457","16.2485","0.0014","16.2485","0.0014","12.1427","0.0015","90","","90","","90","","3205.8","0.6","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C48 H92 Si4 Zr4 -","- C48 H92 Si4 Zr4 -","- C96 H184 Si8 Zr8 -","2","0.25","","Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin","Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units","Organometallics","2013","32","7","2145","","10.1021/om400012a","","","0.71073","MoKα","","0.025","0.0232","","","0.066","0.0664","","","","","","1.064","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4083123","33.5486","0.001","33.5486","0.001","20.9004","0.0007","90","","90","","90","","23523.6","1.3","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C121 H110 Au6 F12 O7 P6 -","- C121 H110 Au6 F12 O7 P6 -","- C968 H880 Au48 F96 O56 P48 -","8","1","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0682","0.0425","","","0.0948","0.1037","","","","","","1.055","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083126","34.1255","0.0009","34.1255","0.0009","20.3712","0.0008","90","","90","","90","","23723.3","1.3","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C243 H236 Au12 Cl4 F24 O17 P12 -","- C243 H236 Au12 Cl4 F24 O17 P12 -","- C972 H944 Au48 Cl16 F96 O68 P48 -","4","0.5","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0478","0.0309","","","0.0594","0.066","","","","","","1.086","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4084663","16.0175","0.0004","16.0175","0.0004","24.3076","0.0015","90","","90","","90","","6236.4","0.4","200","","200","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C37 H35 O4 P Ru -","- C37 H35 O4 P Ru -","- C296 H280 O32 P8 Ru8 -","8","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0238","","","","0.0647","","","","","","1.054","","","","has coordinates","275193","2022-05-07","02:47:36",""
"4086070","8.7291","","8.7291","","6.8619","","90","","90","","90","","522.857","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Si (C H2 Br)4","","- C4 H8 Br4 Si -","- C4 H8 Br4 Si -","- C8 H16 Br8 Si2 -","2","0.25","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4087816","14.7891","0.0007","14.7891","0.0007","18.9371","0.0009","90","","90","","90","","4141.9","0.3","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 S Y2 -","- C40 H60 S Y2 -","- C160 H240 S4 Y8 -","4","0.5","","Fieser, Megan E.; Johnson, Casey W.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes","Organometallics","2015","34","17","4387","","10.1021/acs.organomet.5b00613","","","0.71073","MoKα","","0.0357","0.0286","","","0.0611","0.0633","","","","","","1.051","","","","has coordinates","237018","2020-10-21","18:00:00",""
"4087817","14.6701","0.0007","14.6701","0.0007","18.9233","0.0009","90","","90","","90","","4072.5","0.3","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 Lu2 S -","- C40 H60 Lu2 S -","- C160 H240 Lu8 S4 -","4","0.5","","Fieser, Megan E.; Johnson, Casey W.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes","Organometallics","2015","34","17","4387","","10.1021/acs.organomet.5b00613","","","0.71073","MoKα","","0.0148","0.0141","","","0.0331","0.0334","","","","","","1.093","","","","has coordinates","237018","2020-10-21","18:00:00",""
"4088619","18.6586","0.0005","18.6586","0.0005","11.1468","0.0002","90","","90","","90","","3880.68","0.16","223","2","223","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C176 H192 N32 O8 -","8","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.1257","0.0758","","","0.1208","0.1403","","","","","","1.144","","","","has coordinates","237714","2020-10-21","18:00:00",""
"4100215","25.992","0.006","25.992","0.006","10.506","0.003","90","","90","","90","","7098","3","273","2","273","2","","","","","","","","4","P -4 21 c","P -4 2n","114","[Me3NN]Ni-NHAd","","","- C33 H45 N3 Ni -","- C33 H45 N3 Ni -","- C264 H360 N24 Ni8 -","8","1","","Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, T. H.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0533186","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101343","23.516","0.003","23.516","","10.6177","0.0014","90","","90","","90","","5871.7","1.1","203","2","203","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C18 H44 I2 N2 O P2 U -","- C18 H14 I2 N2 O P2 U -","- C144 H112 I16 N16 O8 P16 U8 -","8","1","","Hayton, Trevor W; Boncella, James M; Scott, Brian L; Batista, Enrique R; Hay, P Jeffrey","Synthesis and reactivity of the imido analogues of the uranyl ion.","Journal of the American Chemical Society","2006","128","32","10549","10559","10.1021/ja0629155","","","0.71073","MoKα","","0.0449","0.0344","","","0.0753","0.0773","","","","","","1.595","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101930","24.8859","0.0014","24.8859","0.0014","15.1743","0.0017","90","","90","","90","","9397.6","1.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C37.5 H41.5 N4.5 O12.5 Zn3 -","- C37.5 H38 N4.5 O12.5 Zn3 -","- C300 H304 N36 O100 Zn24 -","8","1","","Ming-Hua Zeng; Qiang-Xin Wang; Yan-Xi Tan; Sheng Hu; Hai-Xia Zhao; La-Sheng Long; Mohamedally Kurmoo","Rigid Pillars and Double Walls in a Porous Metal-Organic Framework: Single-Crystal to Single-Crystal, Controlled Uptake and Release of Iodine and Electrical Conductivity","Journal of the American Chemical Society","2010","132","","2561","2563","10.1021/ja908293n","","","0.71073","MoKα","","0.0886","0.0468","","","0.1126","0.1437","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102283","14.5207","0.0008","14.5207","0.0008","20.52","0.002","90","","90","","90","","4326.7","0.5","193","2","193","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C42.5 H43 Cl4 In O6 P2 -","- C42.5 H43 Cl4 In O6 P2 -","- C170 H172 Cl16 In4 O24 P8 -","4","0.5","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0818","0.0645","","","0.1536","0.1627","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102826","15.596","0.001","15.596","0.001","12.165","0.001","90","","90","","90","","2959","0.4","150","0.1","150","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H60 Cu4 I4 P4 -","- C60 H60 Cu4 I4 P4 -","- C120 H120 Cu8 I8 P8 -","2","0.25","","Sandrine Perruchas; Xavier F. Le Goff; Sébastien Maron; Isabelle Maurin; François Guillen; Alain Garcia; Thierry Gacoin; Jean-Pierre Boilot","Mechanochromic and Thermochromic Luminescence of a Copper Iodide Cluster","Journal of the American Chemical Society","2010","132","","10967","10969","10.1021/ja103431d","","","0.71069","MoKα","","0.0281","0.0234","","","0.0468","0.0482","","","","","","1.02","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4103513","25.8279","0.0004","25.8279","0.0004","33.8254","0.0011","90","","90","","90","","22564.3","0.9","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C226 H360 Cl20 Mn40 N8 Na4 O160 -","- C226 H360 Cl20 Mn40 N8 Na4 O160 -","- C452 H720 Cl40 Mn80 N16 Na8 O320 -","2","0.25","","Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue","Journal of the American Chemical Society","2010","132","","16146","16155","10.1021/ja106666h","","","0.71073","MoKα","","0.1591","0.0679","","","0.1517","0.1667","","","","","","0.961","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4104623","16.308","0.002","16.308","0.002","25.786","0.003","90","","90","","90","","6857.8","1.4","301","2","301","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C61 H70 Au2 Cl2 F12 N6 P2 -","- C61 H70 Au2 Cl2 F12 N6 P2 -","- C244 H280 Au8 Cl8 F48 N24 P8 -","4","0.5","","Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies","Journal of the American Chemical Society","2009","131","","9076","9085","10.1021/ja9027692","","","0.71073","MoKα","","0.032","0.0276","","","0.0792","0.0823","","","","","","1.128","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4105451","10.1235","0.0002","10.1235","0.0002","12.411","0.0005","90","","90","","90","","1271.94","0.06","153","2","153","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C24 H44 P4 -","- C24 H44 P4 -","- C48 H88 P8 -","2","0.25","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.71073","MoKα","","0.0222","0.0213","","","0.0573","0.0583","","","","","","1.112","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105616","35.6567","0.0001","35.6567","0.0001","16.9867","0.0001","90","","90","","90","","21596.9","0.15","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O39 Si V2 W10 -","- C68 Cl4 N4 O39 Si V2 W10 -","- C544 Cl32 N32 O312 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.052","","","","0.1366","","","","","","1.088","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105617","35.6802","0.0004","35.6802","0.0004","16.9427","0.0002","90","","90","","90","","21569.4","0.4","153","2","153","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C68 Cl4 N4 O40 Si V2 W10 -","- C68 Cl4 N4 O40 Si V2 W10 -","- C544 Cl32 N32 O320 Si8 V16 W80 -","8","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0609","","","","0.1683","","","","","","1.095","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4108547","15.2867","0.0004","15.2867","0.0004","23.8065","0.0013","90","","90","","90","","5563.2","0.4","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C52 H60 Cl2 N2 Na2 Zr2 -","- C52 H60 Cl2 N2 Na2 Zr2 -","- C208 H240 Cl8 N8 Na8 Zr8 -","4","0.5","","Doris Pun; Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","N2 Hydrogenation from Activated End-On Bis(indenyl) Zirconium Dinitrogen Complexes","Journal of the American Chemical Society","2008","130","","14046","14047","10.1021/ja8048332","","","0.71073","MoKα","","0.0458","0.0364","","","0.0951","0.0995","","","","","","1.07","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4108882","14.739","0.004","14.739","0.004","16.662","0.009","90","","90","","90","","3620","2","25","2","25","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C35 H42 Fe N6 O3 S2 -","- C35 H42 Fe N6 O3 S2 -","- C140 H168 Fe4 N24 O12 S8 -","4","0.5","","Gregory J. Halder; Karena W. Chapman; Suzanne M. Neville; Boujemaa Moubaraki; Keith S. Murray; Jean-François Létard; Cameron J. Kepert","Elucidating the Mechanism of a Two-Step Spin Transition in a Nanoporous Metal-Organic Framework","Journal of the American Chemical Society","2008","130","","17552","17562","10.1021/ja8068038","","","0.71073","MoKα","","0.1192","0.0809","","","0.2043","0.2378","","","","","","1.098","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4109088","12.853","0.004","12.853","0.004","23.193","0.014","90","","90","","90","","3831","3","193","2","193","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C72 H84 Co8 F6 K N12 O2 P -","- C72 H84 Co8 F6 K N12 O2 P -","- C144 H168 Co16 F12 K2 N24 O4 P2 -","2","0.25","","Julie L. Boyer; Maya Ramesh; Haijun Yao; Thomas B. Rauchfuss; Scott R. Wilson","Redox-Switched Complexation/Decomplexation of K+ and Cs+ by Molecular Cyanometalate Boxes","Journal of the American Chemical Society","2007","129","","1931","1936","10.1021/ja0646545","","","0.71073","MoKα","","0.0469","0.0332","","","0.0618","0.0656","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111071","9.2759","0.0008","9.2759","0.0008","6.6127","0.0004","90","","90","","90","","568.97","0.08","100","1","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H8 N4 O12 -","- C5 H8 N4 O12 -","- C10 H16 N8 O24 -","2","0.25","","Elizabeth A. Zhurova; Adam I. Stash; Vladimir G. Tsirelson; Vladimir V. Zhurov; Ekaterina V. Bartashevich; Vladimir A. Potemkin; A. Alan Pinkerton","Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal","Journal of the American Chemical Society","2006","128","","14728","14734","10.1021/ja0658620","","","0.71073","MoKα","","","0.0104","","","","0.0125","","","","","","1.17","","","","has coordinates","192343","2020-10-21","18:00:00",""
"4111859","16.2367","0.0015","16.2367","0.0015","13.041","0.0017","90","","90","","90","","3438","0.6","153","2","153","2","","","","","","","","4","P -4 21 c","P -4 2n","114","TIPS-T5-TIPS","","","- C30 H44 S5 Si2 -","- C30 H44 S5 Si2 -","- C120 H176 S20 Si8 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0589","0.0483","","","0.1092","0.119","","","","","","1.037","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4112904","19.3873","0.0014","19.3873","0.0014","19.837","0.003","90","","90","","90","","7456.1","1.4","118","2","118","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C35 H50 F3 N2 O3 S V -","- C35 H50 F3 N2 O3 S V -","- C280 H400 F24 N16 O24 S8 V8 -","8","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.0648","0.0431","","","0.0955","0.1015","","","","","","0.9","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113350","16.6331","0.0008","16.6331","0.0008","23.423","0.002","90","","90","","90","","6480.2","0.7","173","2","173","2","","","","","","","Nermeen W. Aboelella","4","P -4 21 c","P -4 2n","114","04027","","","- C66 H86 Cu2 N6 -","- C66 H86 Cu2 N6 -","- C264 H344 Cu8 N24 -","4","0.5","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.71073","MoKα","","0.0505","0.0387","","","0.0886","0.0935","","","","","","1.059","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113820","23.125","0.011","23.125","0.011","8.854","0.008","90","","90","","90","","4735","5","273","2","273","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C27 H21 Ir N6 -","- C27 H21 Ir N6 -","- C216 H168 Ir8 N48 -","8","1","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0477","0.0366","","","0.0644","0.0675","","","","","","1.054","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113860","13.107","0.0015","13.1084","0.0015","10.8607","0.0011","90","","90","","90","","1866","0.4","295","2","295","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C32 H68 Cr2 N8 -","- C32 H68 Cr2 N8 -","- C64 H136 Cr4 N16 -","2","0.25","","Azwana R. Sadique; Mary Jane Heeg; Charles H. Winter","A Weak, Short Metal-Metal Bond in a Chromium(II) Amidinate Complex","Journal of the American Chemical Society","2003","125","","7774","7775","10.1021/ja035082g","","","0.71073","MoKα","","0.0534","0.0341","","","0.0938","0.1","","","","","","0.992","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4114115","16.169","0.002","16.169","0.002","18.199","0.004","90","","90","","90","","4757.9","1.3","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","vanadosilicate","","","- C8 H16 Ge0 N6.5 O27.5 Si4 V9 -","- C8 H16 N6.5 O27.5 Si4 V9 -","- C32 H64 N26 O110 Si16 V36 -","4","0.5","","Akhilesh Tripathi; Timothy Hughbanks; Abraham Clearfield","The First Framework Solid Composed of Vanadosilicate Clusters","Journal of the American Chemical Society","2003","125","","10528","10529","10.1021/ja0365173","","","0.71073","MoKα","","0.065","0.072","","","0.1537","0.1455","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114254","22.3876","0.0002","22.3876","0.0002","14.8709","0.0002","90","","90","","90","","7453.36","0.14","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","[FeClDFB]{Et4N]2","","- C33 H56 Cl F2 Fe N6 O4 -","- C33 H56 Cl F2 Fe N6 O4 -","- C264 H448 Cl8 F16 Fe8 N48 O32 -","8","1","","Anindya Ghosh; Alexander D. Ryabov; Sherry M. Mayer; David C. Horner; Duane E. Prasuhn; Sayam Sen Gupta; Leonard Vuocolo; Caleb Culver; Michael P. Hendrich; Cliffton E. F. Rickard; Richard E. Norman; Colin P. Horwitz; Terrence J. Collins","Understanding the Mechanism of H±Induced Demetalation as a Design Strategy for Robust Iron(III) Peroxide-Activating Catalysts","Journal of the American Chemical Society","2003","125","","12378","12379","10.1021/ja0367344","","","0.71073","MoKα","","0.0617","0.0518","","","0.1366","0.1463","","","","","","1.019","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114458","16.7419","0.0005","16.7419","0.0005","18.2494","0.0011","90","","90","","90","","5115.1","0.4","91","2","91","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H35 O6 Rb -","- C25 H35 O6 Rb -","- C200 H280 O48 Rb8 -","8","1","","Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge","An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide","Journal of the American Chemical Society","2003","125","","15002","15003","10.1021/ja037201y","","","0.71073","MoKα","","0.0408","0.0314","","","0.0725","0.0774","","","","","","1.043","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4115534","10.9385","0.0006","10.9385","0.0006","15.9633","0.0012","90","","90","","90","","1910","0.2","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H27 N5 O8 -","- C33 H18 N5 O8 -","- C66 H36 N10 O16 -","2","0.25","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1272","0.1071","","","0.2829","0.2888","","","","","","1.946","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4116085","25.0187","0.0003","25.0187","0.0003","8.6641","0.0002","90","","90","","90","","5423.17","0.16","188","2","188","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C19 H35 N7 O10 Zn2 -","- C19 H35 N7 O10 Zn2 -","- C152 H280 N56 O80 Zn16 -","8","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Hydrolysis of β-Lactam Antibiotics Catalyzed by Dinuclear Zinc(II) Complexes: Functional Mimics of Metallo-β-lactamases","Journal of the American Chemical Society","2000","122","","6411","6422","10.1021/ja993704l","","","0.71073","MoKα","","0.0761","0.0409","","","0.0772","0.0842","","","","","","1.009","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4118588","12.5729","0.0019","12.5729","0.0019","25.944","0.008","90","","90","","90","","4101.2","1.5","298","2","298","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H42 Ho4 N2 O24 -","- C42 H28 Ho4 N2 O24 -","- C84 H56 Ho8 N4 O48 -","2","0.25","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1064","0.0664","","","0.1692","0.1908","","","","","","1.017","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4119440","27.8826","0.0003","27.8826","0.0003","19.9897","0.0004","90","","90","","90","","15540.8","0.4","170","2","170","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C77 H75 Cl Li N15 O2 Sm U -","- C77 H75 Cl Li N15 O2 Sm U -","- C616 H600 Cl8 Li8 N120 O16 Sm8 U8 -","8","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.073","0.0654","","","0.1612","0.1653","","","","","","1.067","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119442","27.7905","0.0004","27.7905","0.0004","20.0281","0.0005","90","","90","","90","","15467.9","0.5","170","2","170","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C82 H80 Cl Li N16 O2 U Y -","- C82 H80 Cl Li N16 O2 U Y -","- C656 H640 Cl8 Li8 N128 O16 U8 Y8 -","8","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.1011","0.0539","","","0.0977","0.119","","","","","","1.06","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4120735","20.1648","0.0004","20.1648","0.0004","16.4142","0.0005","90","","90","","90","","6674.3","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C46.67 H54.67 Cl1.33 Co1.33 N6.67 -","- C46.6667 H54.6667 Cl1.33333 Co1.33333 N6.66667 -","- C280 H328 Cl8 Co8 N40 -","6","0.75","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","1.54178","CuKα","","0.0447","0.0394","","","0.0985","0.1006","","","","","","1.095","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4123745","17.392","0.0012","17.392","0.0012","18.982","0.0012","90","0.001","90","0.001","90","0.001","5741.7","0.7","293","2","293","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C64 H147 Cl4 Mo12 N4 O40 P Zn4 -","- C64 H144 Cl4 Mo12 N4 O40 P Zn4 -","- C128 H288 Cl8 Mo24 N8 O80 P2 Zn8 -","2","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71069","MoKα","","0.0552","0.0392","","","0.0988","0.1079","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4127733","20.0754","0.0016","20.0754","0.0016","22.1042","0.0018","90","","90","","90","","8908.5","1.2","220","2","220","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C128 H110 Cl6 N32 Ni4 O36 -","- C128 H104 Cl6 N32 Ni4 O36 -","- C256 H208 Cl12 N64 Ni8 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1136","0.0833","","","0.2118","0.2277","","","","","","1.085","","","","has coordinates,has disorder","220911","2020-10-21","18:00:00",""
"4127735","19.851","0.0008","19.851","0.0008","22.6268","0.001","90","","90","","90","","8916.4","0.6","200","2","200","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C124 H102 B4 F16 N30 O12 Zn4 -","- C124 H98 B4 F16 N30 O12 Zn4 -","- C248 H196 B8 F32 N60 O24 Zn8 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1055","0.0736","","","0.1741","0.1877","","","","","","1.082","","","","has coordinates,has disorder","220913","2020-10-21","18:00:00",""
"4127737","19.73","0.0016","19.73","0.0016","22.2762","0.0017","90","","90","","90","","8671.5","1.2","180","2","180","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C120 H96 B4 Co4 F16 N28 O12 -","- C120 H92 B4 Co4 F16 N28 O12 -","- C240 H184 B8 Co8 F32 N56 O24 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.1487","0.0733","","","0.1712","0.1883","","","","","","1.028","","","","has coordinates,has disorder","220915","2020-10-21","18:00:00",""
"4127738","19.841","0.0013","19.841","0.0013","22.7968","0.0015","90","","90","","90","","8974.3","1","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C124 H104 Cl6 Fe4 N30 O36 -","- C124 H98 Cl6 Fe4 N30 O36 -","- C248 H196 Cl12 Fe8 N60 O72 -","2","0.25","","Wei, Jianwei; Zhao, Liang; He, Cheng; Zheng, Sijia; Reek, Joost N. H.; Duan, Chunying","Metal-Organic Capsules with NADH Mimics as Switchable Selectivity Regulators for Photocatalytic Transfer Hydrogenation.","Journal of the American Chemical Society","2019","141","32","12707","12716","10.1021/jacs.9b05351","","","0.71073","MoKα","","0.0916","0.0708","","","0.1821","0.1931","","","","","","1.079","","","","has coordinates,has disorder","220916","2020-10-21","18:00:00",""
"4129356","19.6307","0.0004","19.6307","0.0004","34.1665","0.0008","90","","90","","90","","13166.6","0.5","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C62 H61 B Cl F25 N Si2 Zr -","- C62 H61 B Cl F25 N Si2 Zr -","- C496 H488 B8 Cl8 F200 N8 Si16 Zr8 -","8","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54178","CuKα","","0.0568","0.0555","","","0.1459","0.1472","","","","","","1.054","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4130198","13.763","0.003","13.763","0.003","6.746","0.004","90","","90","","90","","1277.8","0.9","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Ta -","- C28 H16 F6 S4 Ta -","- C56 H32 F12 S8 Ta2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0478","","","","0.1459","","","","","","1.019","","","","has coordinates","240727","2020-10-21","18:00:00",""
"4130199","13.7406","0.0018","13.7406","0.0018","6.744","0.003","90","","90","","90","","1273.3","0.6","293","","293","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Sb -","- C28 H16 F6 S4 Sb -","- C56 H32 F12 S8 Sb2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0404","","","","0.0737","","","","","","1.275","","","","has coordinates","240728","2020-10-21","18:00:00",""
"4130200","13.5835","0.0013","13.5835","0.0013","6.737","0.003","90","","90","","90","","1243.1","0.6","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 As F6 S4 -","- C28 H16 As F6 S4 -","- C56 H32 As2 F12 S8 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0467","","","","0.1245","","","","","","1.049","","","","has coordinates","240730","2020-10-21","18:00:00",""
"4130469","23.5737","0.0013","23.5737","0.0013","29.204","0.0017","90","","90","","90","","16229.2","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C176 H128 Au10 Cl2 P8 S4 -","- C176 H128 Au10 Cl2 P8 S4 -","- C704 H512 Au40 Cl8 P32 S16 -","4","0.5","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0776","0.0638","","","0.1584","0.1724","","","","","","1.103","","","","has coordinates","240893","2020-10-21","18:00:00",""
"4131152","19.57","0.002","19.57","0.002","9.704","0.002","90","","90","","90","","3716.5","0.9","173","","","","","","","","","","see text","4","P -4 21 c","P -4 2n","114","","","","- C20 H18 Br2 O2 -","- C20 H18 Br2 O2 -","- C160 H144 Br16 O16 -","8","1","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241432","2020-10-21","18:00:00",""
"4133322","17.0065","0.0004","17.0065","0.0004","21.4575","0.0006","90","","90","","90","","6206","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C51.5 H70 F24 Mo2 O11 -","- C51.5 H70 F24 Mo2 O11 -","- C206 H280 F96 Mo8 O44 -","4","0.5","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0446","0.0396","","","0.0847","0.0869","","","","","","1.173","","","","has coordinates,has disorder","243143","2020-10-21","18:00:00",""
"4135078","32.431","0.005","32.431","0.005","24.806","0.005","90","","90","","90","","26090","8","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C104 H100 Au10 Cl2 N4 P8 S4 -","- C832 H800 Au80 Cl16 N32 P64 S32 -","8","1","","Yan, Liang-Liang; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Concentration- and Solvation-Induced Reversible Structural Transformation and Assembly of Polynuclear Gold(I) Sulfido Complexes.","Journal of the American Chemical Society","2020","142","26","11560","11568","10.1021/jacs.0c04677","","","0.82657","synchrotron","","0.0703","0.0699","","","0.1844","0.185","","","","","","1.029","","","","has coordinates,has disorder","253724","2020-10-21","18:00:00",""
"4135390","15.4791","0.0013","15.4791","0.0013","26.403","0.002","90","","90","","90","","6326.2","0.9","100","2","99.99","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33.75 H36 Cl N2 Ni P2 -","- C33.75 H36 Cl N2 Ni P2 -","- C270 H288 Cl8 N16 Ni8 P16 -","8","1","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.71073","MoKα","","0.0611","0.0523","","","0.1476","0.1547","","","","","","1.131","","","","has coordinates,has disorder","260425","2021-01-04","03:12:23",""
"4135393","15.426","0.003","15.426","0.003","26.835","0.006","90","","90","","90","","6386","2","15","2","15","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C131 H141 Cl4 F3 N12 P8 Pd4 -","- C262 H282 Cl8 F6 N24 P16 Pd8 -","2","0.25","","Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.","Enthalpy-Controlled Insertion of a ""Nonspectator"" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.","Journal of the American Chemical Society","2020","142","51","21285","21291","10.1021/jacs.0c11161","","","0.24797","synchrotron","","0.0425","0.0371","","","0.097","0.1018","","","","","","1.087","","","","has coordinates,has disorder","260425","2021-01-04","03:12:24",""
"4301906","22.856","0.002","22.856","0.002","27.634","0.003","90","","90","","90","","14436","2","113","2","113","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C208 H196 Mn16 N68 O68 -","- C208 H132 Mn16 N68 O68 -","- C416 H264 Mn32 N136 O136 -","2","0.25","","Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson","Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly","Inorganic Chemistry","2009","48","","3323","3341","10.1021/ic801078h","","","0.7107","MoKα","","0.0946","0.0934","","","0.268","0.2707","","","","","","1.111","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302657","17.041","0.0014","17.041","0.0014","25.371","0.002","90","","90","","90","","7367.6","1","293","2","293","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C48 H108 Cl9 Cu8 N8 Na5 O114 Sm4 -","- C48 H108 Cl9 Cu8 N8 Na5 O114 Sm4 -","- C96 H216 Cl18 Cu16 N16 Na10 O228 Sm8 -","2","0.25","","Jing-xin Ma; Xiao-feng Huang; You Song; Xue-qin Song; Wei-sheng Liu","From Metalloligand to Interpenetrating Channels: Synthesis, Characterization, and Properties of a 2p-3d-4f Heterometallic Coordination Polymer {[Na5Cu8Sm4(NTA)8(ClO4)8(H2O)22].ClO4.8H2O}n","Inorganic Chemistry","2009","48","","6326","6328","10.1021/ic900566v","","","0.71073","MoKα","","0.0538","0.0461","","","0.1234","0.1302","","","","","","1.07","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302828","18.2052","0.0012","18.2052","0.0012","10.0224","0.0013","90","","90","","90","","3321.7","0.5","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C28 H44 K5 N8 O52 Tb5 -","- C28 H4 K5 N8 O52 Tb5 -","- C56 H8 K10 N16 O104 Tb10 -","2","0.25","","Wen-Guan Lu; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Three-Dimensional Lanthanide Anionic Metal-Organic Frameworks with Tunable Luminescent Properties Induced by Cation Exchange","Inorganic Chemistry","2009","48","","6997","6999","10.1021/ic900506z","","","0.71073","MoKα","","0.0435","0.0347","","","0.0787","0.0826","","","","","","1.093","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4306394","20.6272","0.0001","20.6272","0.0001","34.6376","0.0003","90","","90","","90","","14737.7","0.16","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C116 H100 Ag4 Cl0 F24 N12 P8 -","- C116 H100 Ag4 F24 N12 P8 -","- C464 H400 Ag16 F96 N48 P32 -","4","0.5","","Stefan Welsch; Christophe Lescop; Manfred Scheer; Régis Réau","AgI Bimetallic Molecular Clips with Adaptive Coordination Behavior for Supramolecular Chemistry","Inorganic Chemistry","2008","47","","8592","8594","10.1021/ic801222j","","","0.71073","MoKα","","0.0691","0.056","","","0.1554","0.1649","","","","","","1.041","","","","has coordinates,has disorder","179101","2020-10-21","18:00:00",""
"4306715","12.4354","0.0013","12.4354","0.0013","16.385","0.003","90","","90","","90","","2533.8","0.6","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(Et4N)3[Fe4S4Cl4].Et4N(HS)","tetrakis(Tetraethylammonium) tetrakis((μ~3~-sulfido)-chloro-iron) hydrosulfide","","- C32 H80 Cl5 Fe4 N4 S4 -","- C32 H80 Cl5 Fe4 N4 S4 -","- C64 H160 Cl10 Fe8 N8 S8 -","2","0.25","","Karl S. Hagen; Mohammad Uddin","A Continuous Symmetry Measure of [4Fe-4S]+ Core Distortions and Analysis of Supramolecular Synthons in Crystal Structures of (Et4N)3[Fe4S4Cl4].Et4NCl at 100 and 295 K","Inorganic Chemistry","2008","47","","11807","11815","10.1021/ic801533q","","x-ray","0.71073","MoKα","","0.0363","0.0335","","","0.0708","0.0719","","","","","","1.037","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306716","12.255","0.0004","12.255","0.0004","16.2778","0.0012","90","","90","","90","","2444.7","0.2","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(Et4N)3[Fe4S4Cl4].Et4NCl","tetrakis(Tetraethylammonium) tetrakis((μ~3~-sulfido)-chloro-iron) chloride","","- C32 H80 Cl5 Fe4 N4 S4 -","- C32 H80 Cl5 Fe4 N4 S4 -","- C64 H160 Cl10 Fe8 N8 S8 -","2","0.25","","Karl S. Hagen; Mohammad Uddin","A Continuous Symmetry Measure of [4Fe-4S]+ Core Distortions and Analysis of Supramolecular Synthons in Crystal Structures of (Et4N)3[Fe4S4Cl4].Et4NCl at 100 and 295 K","Inorganic Chemistry","2008","47","","11807","11815","10.1021/ic801533q","","x-ray","0.71073","MoKα","","0.0362","0.0338","","","0.0857","0.0866","","","","","","1.154","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306717","12.385","0.0011","12.385","0.0011","16.344","0.0015","90","","90","","90","","2507","0.4","295","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(Et4N)3[Fe4S4Cl4].Et4NCl","tetrakis(Tetraethylammonium) tetrakis((μ~3~-sulfido)-chloro-iron) chloride","","- C32 H80 Cl5 Fe4 N4 S4 -","- C32 H80 Cl5 Fe4 N4 S4 -","- C64 H160 Cl10 Fe8 N8 S8 -","2","0.25","","Karl S. Hagen; Mohammad Uddin","A Continuous Symmetry Measure of [4Fe-4S]+ Core Distortions and Analysis of Supramolecular Synthons in Crystal Structures of (Et4N)3[Fe4S4Cl4].Et4NCl at 100 and 295 K","Inorganic Chemistry","2008","47","","11807","11815","10.1021/ic801533q","","x-ray","0.71073","MoKα","","0.0348","0.031","","","0.0734","0.0741","","","","","","0.961","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306718","12.2465","0.0005","12.2465","0.0005","16.2413","0.001","90","","90","","90","","2435.8","0.2","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(Et4N)3[Fe4S4Cl4].Et4NCl","tetrakis(Tetraethylammonium) tetrakis((μ~3~-sulfido)-chloro-iron) chloride","","- C32 H80 Cl5 Fe4 N4 S4 -","- C32 H80 Cl5 Fe4 N4 S4 -","- C64 H160 Cl10 Fe8 N8 S8 -","2","0.25","","Karl S. Hagen; Mohammad Uddin","A Continuous Symmetry Measure of [4Fe-4S]+ Core Distortions and Analysis of Supramolecular Synthons in Crystal Structures of (Et4N)3[Fe4S4Cl4].Et4NCl at 100 and 295 K","Inorganic Chemistry","2008","47","","11807","11815","10.1021/ic801533q","","x-ray","0.71073","MoKα","","0.0238","0.0232","","","0.0593","0.0595","","","","","","1.204","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306719","12.2784","0.0003","12.2784","0.0003","16.2649","0.0009","90","","90","","90","","2452.08","0.16","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(Et4N)3[Fe4S4Cl4].Et4NCl","tetrakis(Tetraethylammonium) tetrakis((μ~3~-sulfido)-chloro-iron) chloride","","- C32 H80 Cl5 Fe4 N4 S4 -","- C32 H80 Cl5 Fe4 N4 S4 -","- C64 H160 Cl10 Fe8 N8 S8 -","2","0.25","","Karl S. Hagen; Mohammad Uddin","A Continuous Symmetry Measure of [4Fe-4S]+ Core Distortions and Analysis of Supramolecular Synthons in Crystal Structures of (Et4N)3[Fe4S4Cl4].Et4NCl at 100 and 295 K","Inorganic Chemistry","2008","47","","11807","11815","10.1021/ic801533q","","x-ray","0.71073","MoKα","","0.0504","0.0426","","","0.0839","0.0862","","","","","","0.96","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306720","12.3771","0.0008","12.3771","0.0008","16.309","0.0018","90","","90","","90","","2498.4","0.4","295","2","295","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(Et4N)3[Fe4S4Cl4].Et4NCl","tetrakis(Tetraethylammonium) tetrakis((μ~3~-sulfido)-chloro-iron) chloride","","- C32 H80 Cl5 Fe4 N4 S4 -","- C32 H80 Cl5 Fe4 N4 S4 -","- C64 H160 Cl10 Fe8 N8 S8 -","2","0.25","","Karl S. Hagen; Mohammad Uddin","A Continuous Symmetry Measure of [4Fe-4S]+ Core Distortions and Analysis of Supramolecular Synthons in Crystal Structures of (Et4N)3[Fe4S4Cl4].Et4NCl at 100 and 295 K","Inorganic Chemistry","2008","47","","11807","11815","10.1021/ic801533q","","x-ray","0.71073","MoKα","","0.0457","0.0421","","","0.099","0.1006","","","","","","1.157","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306721","12.4153","0.0004","12.4153","0.0004","16.1984","0.0011","90","","90","","90","","2496.8","0.2","295","2","295","2","","","","","","","","6","P -4 21 c","P -4 2n","114","(Et4N)3[Fe4S4(SH)4].Et4NCl","tetrakis(Tetraethylammonium) tetrakis((μ~3~-sulfido) -hydrosulfido-iron) chloride","","- C32 H84 Cl Fe4 N4 S8 -","- C32 H84 Cl Fe4 N4 S8 -","- C64 H168 Cl2 Fe8 N8 S16 -","2","0.25","","Karl S. Hagen; Mohammad Uddin","A Continuous Symmetry Measure of [4Fe-4S]+ Core Distortions and Analysis of Supramolecular Synthons in Crystal Structures of (Et4N)3[Fe4S4Cl4].Et4NCl at 100 and 295 K","Inorganic Chemistry","2008","47","","11807","11815","10.1021/ic801533q","","x-ray","0.71073","MoKα","","0.0595","0.0544","","","0.0982","0.1001","","","","","","1.043","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4308205","20.17","0.002","20.17","0.002","11.844","0.003","90","","90","","90","","4818.5","1.4","233","2","233","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(1) [Sc(mu-ONep)2(ONep)]4","","","- C60 H132 O12 Sc4 -","- C60 H132 O12 Sc4 -","- C120 H264 O24 Sc8 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0505","0.0452","","","0.1298","0.1328","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308206","18.035","0.002","18.035","0.002","11.773","0.003","90","","90","","90","","3829.3","1.1","178","2","178","2","","","","","","","","4","P -4 21 c","P -4 2n","114","[Y(ONep)3]4","","","- C60 H132 O12 Y4 -","- C60 H132 O12 Y4 -","- C120 H264 O24 Y8 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0705","0.0494","","","0.1089","0.1192","","","","","","1.027","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308207","20.704","0.0013","20.704","0.0013","11.9418","0.0015","90","","90","","90","","5118.9","0.8","203","2","203","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(5) [Pr(mu-ONep)2(ONep)]4 *TOl","","","- C60 H132 O12 Pr4 -","- C60 H132 O12 Pr4 -","- C120 H264 O24 Pr8 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0433","0.0395","","","0.1088","0.1107","","","","","","1.167","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308208","18.2051","0.0018","18.2051","0.0018","11.749","0.002","90","","90","","90","","3893.9","0.9","203","2","203","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(7) [Sm(m-ONep)2(ONep)]4","","","- C60 H132 O12 Sm4 -","- C60 H132 O12 Sm4 -","- C120 H264 O24 Sm8 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0782","0.0621","","","0.1152","0.1206","","","","","","1.15","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308209","20.4403","0.0008","20.4403","0.0008","12.0304","0.0009","90","","90","","90","","5026.4","0.5","203","2","203","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(8) [Eu(m-ONep)2(ONep)]4","","","- C60 H132 Eu4 O12 -","- C60 H132 Eu4 O12 -","- C120 H264 Eu8 O24 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0282","0.027","","","0.0763","0.077","","","","","","1.125","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308210","18.367","0.003","18.367","0.003","11.927","0.004","90","","90","","90","","4023.5","1.6","203","2","203","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(9) [Gd(m-ONep)(ONep)]4","","","- C60 H132 Gd4 O12 -","- C60 H132 Gd4 O12 -","- C120 H264 Gd8 O24 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0601","0.0454","","","0.1222","0.1363","","","","","","1.14","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308211","18.106","0.0006","18.106","0.0006","11.7612","0.0007","90","","90","","90","","3855.6","0.3","203","2","203","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(10) [Tb(m-ONep)(ONep)]4","","","- C60 H132 O12 Tb4 -","- C60 H132 O12 Tb4 -","- C120 H264 O24 Tb8 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0271","0.0257","","","0.0629","0.0639","","","","","","1.064","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308212","18.0322","0.0006","18.0322","0.0006","11.7258","0.0007","90","","90","","90","","3812.8","0.3","168","2","168","2","","","","","","","","4","P -4 21 c","P -4 2n","114","DyOnep","","","- C60 H132 Dy4 O12 -","- C60 H100 Dy4 O12 -","- C120 H200 Dy8 O24 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0481","0.0385","","","0.0763","0.079","","","","","","1.187","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308213","18.04","0.0012","18.04","0.0012","11.7617","0.0015","90","","90","","90","","3827.7","0.6","203","2","203","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(12) [Ho(m-ONep)2(ONep)]4","","","- C60 H132 Ho4 O12 -","- C60 H132 Ho4 O12 -","- C120 H264 Ho8 O24 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.066","0.0615","","","0.0976","0.0989","","","","","","1.285","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308214","20.1985","0.0014","20.1985","0.0014","12.0226","0.0016","90","","90","","90","","4905","0.8","168","2","168","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(13) [Er(ONep)3]4","","","- C66 H146 Er4 O12 -","- C60 H132 Er4 O12 -","- C120 H264 Er8 O24 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0477","0.041","","","0.146","0.1526","","","","","","1.102","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308215","20.2106","0.0017","20.2106","0.0017","12.045","0.002","90","","90","","90","","4920","1","203","2","203","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(14)TmOnep","","","- C60 H132 O12 Tm4 -","- C60 H132 O12 Tm4 -","- C120 H264 O24 Tm8 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0417","0.0359","","","0.1449","0.1535","","","","","","1.203","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308216","20.296","0.0009","20.296","0.0009","11.7989","0.001","90","","90","","90","","4860.3","0.5","168","2","168","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(15) [Yb(ONep)(mu-ONep)2]4*(Hexane)","","","- C60 H132 O12 Yb4 -","- C60 H132 O12 Yb4 -","- C120 H264 O24 Yb8 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0332","0.0303","","","0.0805","0.0818","","","","","","1.08","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308217","20.304","0.003","20.304","0.003","11.772","0.002","90","","90","","90","","4853","1.3","168","2","168","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(16) [Lu(ONep)(mu-ONep)2]4*(Hexane)","","","- C66 H146 Lu4 O12 -","- C60 H132 Lu4 O12 -","- C120 H264 Lu8 O24 -","2","0.25","","Timothy J. Boyle; Leigh Anna M. Ottley; Sherrika D. Daniel-Taylor; Louis J. Tribby; Scott D. Bunge; Alison L. Costello; Todd M. Alam; John C. Gordon; T. Mark MCleskey","Isostructural neo-Pentoxide Derivatives of Group 3 and the Lanthanide Series Metals for the Production of Ln2O3 Nanoparticles","Inorganic Chemistry","2007","46","","3705","3713","10.1021/ic070253u","","","0.71073","MoKα","","0.0354","0.0305","","","0.0753","0.077","","","","","","1.102","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308609","10.007","0.0004","10.007","","10.50284","0.00022","90","","90","","90","","1051.75","0.05","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.24008","","0.46","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308610","9.9172","0.0005","9.9172","","10.46232","0.00028","90","","90","","90","","1028.98","0.06","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.26747","","0.51","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308611","9.82345","0.00035","9.82345","","10.4222","0.0006","90","","90","","90","","1005.74","0.07","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.21552","","0.67","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308612","9.713","0.0005","9.713","","10.3196","0.0008","90","","90","","90","","973.58","0.09","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.24222","","0.51","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308613","9.6395","0.0006","9.6395","","10.2468","0.001","90","","90","","90","","952.13","0.11","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.1822","","0.51","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308614","9.5718","0.0006","9.5718","","10.1813","0.0013","90","","90","","90","","932.8","0.13","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.21991","","0.55","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308615","9.4233","0.0007","9.4233","","10.0338","0.0015","90","","90","","90","","890.99","0.15","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.37391","","0.56","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308616","9.3434","0.0007","9.3434","","9.9487","0.0016","90","","90","","90","","868.51","0.15","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.26919","","0.55","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308617","9.25","0.0009","9.25","","9.8543","0.0017","90","","90","","90","","843.16","0.17","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.27543","","0.61","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308618","9.1729","0.0017","9.1729","","9.726","0.004","90","","90","","90","","818.4","0.4","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C5 H5 K -","- C5 H5 K -","- C40 H40 K8 -","8","1","","Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson","Effect of Crystal Packing on the Structures of Polymeric Metallocenes","Inorganic Chemistry","2005","44","","964","968","10.1021/ic049214y","powder diffraction","x-ray","0.431329","","","","","","","","","0.33992","","0.9","","","","","","","has coordinates,has Fobs","179124","2020-10-21","18:00:00",""
"4308688","20.324","0.005","20.324","0.005","11.976","0.004","90","","90","","90","","4947","2","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(1) [Dy4(ONep)12]*(tol)","","","- C67 H140 Dy4 O12 -","- C60 H132 Dy4 O12 -","- C120 H264 Dy8 O24 -","2","0.25","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.0316","0.0264","","","0.0719","0.0735","","","","","","1.117","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308816","16.2945","0.0004","16.2945","0.0004","17.4321","0.0008","90","","90","","90","","4628.4","0.3","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","Tetrapropylammonium manganese (II) dicyanamide","Tetrapropylammonium manganese (II) dicyanamide","","- C18 H28 Mn N10 -","- C18.002 H28 Mn N10.001 -","- C144.016 H224 Mn8 N80.008 -","8","1","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0523","0.0425","","","0.1105","0.1194","","","","","","1.062","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308817","16.1461","0.0006","16.1461","0.0006","17.4126","0.0013","90","","90","","90","","4539.4","0.4","180","2","180","2","","","","","","","","4","P -4 21 c","P -4 2n","114","Tetrapropylammonium manganese (II) dicyanamide","Tetrapropylammonium manganese (II) dicyanamide","","- C18 H28 Mn N10 -","- C18.004 H28 Mn N10.002 -","- C144.032 H224 Mn8 N80.016 -","8","1","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0533","0.0519","","","0.112","0.1126","","","","","","1.162","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4308819","16.0985","0.0003","16.0985","0.0003","17.0287","0.0008","90","","90","","90","","4413.2","0.2","160","2","160","2","","","","","","","","4","P -4 21 c","P -4 2n","114","Tetrapropylammonium nickel (II) dicyanamide","Tetrapropylammonium nickel (II) dicyanamide","","- C18 H28 N10 Ni -","- C18 H28 N10 Ni -","- C144 H224 N80 Ni8 -","8","1","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0661","0.0658","","","0.1674","0.1675","","","","","","1.232","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00",""
"4309754","13.4198","0.0013","13.4198","0.0013","14.932","0.002","90","","90","","90","","2689.1","0.5","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C24 H56 O32 P4 Re4 U -","- C24 H56 O32 P4 Re4 U -","- C48 H112 O64 P8 Re8 U2 -","2","0.25","","Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield","The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes","Inorganic Chemistry","2005","44","","7606","7615","10.1021/ic0507971","","","0.71073","MoKα","","0.0268","0.024","","","0.0521","0.0528","","","","","","1.009","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4310684","16.8483","0.0006","16.8483","0.0006","16.5554","0.0008","90","","90","","90","","4699.5","0.3","140","2","140","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C64 H76 Cl24 N8 O8 Rh4 -","- C64 H76 Cl24 N8 O8 Rh4 -","- C128 H152 Cl48 N16 O16 Rh8 -","2","0.25","","Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin","Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes","Inorganic Chemistry","2004","43","","1609","1617","10.1021/ic035328i","","","0.71073","MoKα","","0.0262","0.0243","","","0.0602","0.0611","","","","","","1.039","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4311545","23.013","0.001","23.013","0.001","8.8481","0.0005","90","","90","","90","","4685.9","0.4","193.2","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H34 Ir2 O2 S2 -","- C22 H34 Ir2 O2 S2 -","- C176 H272 Ir16 O16 S16 -","8","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.038","","","","0.0781","","","","","","0.964","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312641","21.31","0.001","21.31","0.001","17.26","0.001","90","","90","","90","","7838","0.7","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H24 Co N6 S2 -","- C28 H24 Co N6 S2 -","- C224 H192 Co8 N48 S16 -","8","1","","Dong Mok Shin; In Su Lee; Dahye Cho; Young Keun Chung","Three Topological Isomeric Coordination Polymer Networks from the Assembly of a Rigid Linear Spacer and a Square Planar Metal Node: Structures, Isomerism Control, and Solid-to-Solid Transformation","Inorganic Chemistry","2003","42","","7722","7724","10.1021/ic035111o","","","0.71073","MoKα","","0.2103","0.1177","","","0.3278","0.3826","","","","","","1.22","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4313838","12.5497","0.0002","12.5497","0.0002","8.9196","0.0003","90","","90","","90","","1404.79","0.06","170","2","170","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C3 H12 N3 O P -","- C3 H12 N3 O P -","- C24 H96 N24 O8 P8 -","8","1","","Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez","Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage","Inorganic Chemistry","2003","42","","3994","4005","10.1021/ic034151p","","","0.71073","MoKα","","0.0343","0.0301","","","0.0801","0.0822","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4313983","12.5982","0.0018","12.5982","0.0018","9.195","0.0018","90","","90","","90","","1459.4","0.4","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C3 H6 Cu N O5 -","- C5 H6 Cu N O5 -","- C40 H48 Cu8 N8 O40 -","8","1","","Tian-Fu Liu; Hao-Ling Sun; Song Gao; Shi-Wei Zhang; Tai-Chu Lau","Ferromagnetic Ordering and Metamagnetism in Malonate Bridged 3D Diamond-like and Honeycomb-like Networks: [Cu(mal)(DMF)]n and {[Cu(mal)(0.5pyz)].H2O}n (mal = Malonate Dianion, DMF =N,N-dimethylformamide, pyz = Pyrazine)","Inorganic Chemistry","2003","42","","4792","4794","10.1021/ic034346x","","","0.71073","MoKα","","0.0515","0.0343","","","0.0573","0.0599","","","","","","0.887","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4314883","17.2009","0.0002","17.2009","0.0002","8.5389","0.0002","90","","90","","90","","2526.41","0.07","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H48 Eu4 O38 S4 -","- C28 H48 Eu4 O38 S4 -","- C56 H96 Eu8 O76 S8 -","2","0.25","","Xia Li; Hao-Ling Sun; Xiao-Shuo Wu; Xiao Qiu; Miao Du","Unique (3,12)-Connected Porous Lanthanide-Organic Frameworks Based on Ln4O4 Clusters: Synthesis, Crystal Structures, Luminescence, and Magnetism","Inorganic Chemistry","2010","49","","1865","1871","10.1021/ic902241n","","","0.71073","MoKα","","0.0157","0.0152","","","0.0379","0.0381","","","","","","1.114","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4314884","17.1743","0.0003","17.1743","0.0003","8.5106","0.0002","90","","90","","90","","2510.26","0.09","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H48 Gd4 O38 S4 -","- C28 H48 Gd4 O38 S4 -","- C56 H96 Gd8 O76 S8 -","2","0.25","","Xia Li; Hao-Ling Sun; Xiao-Shuo Wu; Xiao Qiu; Miao Du","Unique (3,12)-Connected Porous Lanthanide-Organic Frameworks Based on Ln4O4 Clusters: Synthesis, Crystal Structures, Luminescence, and Magnetism","Inorganic Chemistry","2010","49","","1865","1871","10.1021/ic902241n","","","0.71073","MoKα","","0.0203","0.0188","","","0.0395","0.04","","","","","","1.013","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4314885","17.1205","0.0007","17.1205","0.0007","8.4672","0.0006","90","","90","","90","","2481.8","0.2","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H44 O36 S4 Tb4 -","- C28 H44 O36 S4 Tb4 -","- C56 H88 O72 S8 Tb8 -","2","0.25","","Xia Li; Hao-Ling Sun; Xiao-Shuo Wu; Xiao Qiu; Miao Du","Unique (3,12)-Connected Porous Lanthanide-Organic Frameworks Based on Ln4O4 Clusters: Synthesis, Crystal Structures, Luminescence, and Magnetism","Inorganic Chemistry","2010","49","","1865","1871","10.1021/ic902241n","","","0.71073","MoKα","","0.0317","0.027","","","0.0553","0.0569","","","","","","0.995","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4316077","12.7066","0.0007","12.7066","0.0007","21.6126","0.0014","90","","90","","90","","3489.5","0.4","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","8","P -4 21 c","P -4 2n","114","[Li(THF)4]{Fe4(mu3-S)4[N(TMS)2]4}","[Li(THF)4]{Fe4(mu3-S)4[N(TMS)2]4}","","- C40 H104 Fe4 Li N4 O4 S4 Si8 -","- C40 H104 Fe4 Li N4 O4 S4 Si8 -","- C80 H208 Fe8 Li2 N8 O8 S8 Si16 -","2","0.25","","Christopher R. Sharp; Jeremiah S. Duncan; Sonny C. Lee","[Fe4S4]q Cubane Clusters (q= 4+, 3+, 2+) with Terminal Amide Ligands","Inorganic Chemistry","2010","49","","6697","6705","10.1021/ic100742c","","","0.71073","MoKα","","0.087","0.0468","","","0.0904","0.1032","","","","","","1.04","","","","has coordinates,has disorder","179240","2020-10-21","18:00:00",""
"4316287","12.2883","0.0005","12.2883","0.0005","14.8822","0.0006","90","","90","","90","","2247.25","0.16","100","","100","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C60 H46 Fe4 N4 -","- C60 H46 Fe4 N4 -","- C120 H92 Fe8 N8 -","2","0.25","","Victor N. Nemykin; Gregory T. Rohde; Christopher D. Barrett; Ryan G. Hadt; Jared R. Sabin; Giacomo Reina; Pierluca Galloni; Barbara Floris","Long-Range Electronic Communication in Free-Basemeso-Poly(Ferrocenyl)-Containing Porphyrins","Inorganic Chemistry","2010","49","","7497","7509","10.1021/ic101012a","","","0.71075","MoKα","","0.0628","0.034","","0.0857","0.0608","0.0857","","","","","","0.8725","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4317046","14.2815","0.0003","14.2815","0.0003","19.73","0.0008","90","","90","","90","","4024.2","0.2","103","2","103","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C43 H66 N2 Y2 -","- C43 H60 N2 Y2 -","- C172 H240 N8 Y8 -","4","0.5","","Benjamin M. Schmiege; Joseph W. Ziller; William J. Evans","Reduction of Dinitrogen with an Yttrium Metallocene Hydride Precursor, [(C5Me5)2YH]2","Inorganic Chemistry","2010","49","","10506","10511","10.1021/ic101558e","","","0.71073","MoKα","","0.0399","0.034","","","0.0843","0.0877","","","","","","1.079","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317103","32.987","0.005","32.987","0.005","31.918","0.006","90","","90","","90","","34731","10","90","2","90","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C108 H138 F36 N6 P12 Pt3 -","- C108 H138 F36 N6 P12 Pt3 -","- C864 H1104 F288 N48 P96 Pt24 -","8","1","","Yao-Rong Zheng; Zhigang Zhao; Hyunuk Kim; Ming Wang; Koushik Ghosh; J. Bryant Pollock; Ki-Whan Chi; Peter J. Stang","Coordination-Driven Self-Assembly of Truncated Tetrahedra Capable of Encapsulating 1,3,5-Triphenylbenzene","Inorganic Chemistry","2010","49","","10238","10240","10.1021/ic1018373","","","0.9","synchrotron","","0.0981","0.0841","","","0.2244","0.2396","","","","","","1.06","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4318926","16.895","0.003","16.895","0.003","15.042","0.003","90","","90","","90","","4293.6","1.4","90","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C19 H19 Br N3 O5 Re -","- C19 H19 Br N3 O5 Re -","- C152 H152 Br8 N24 O40 Re8 -","8","1","","Sangeeta Ray Banerjee; Murali K. Levadala; Neva Lazarova; Lihui Wei; John F. Valliant; Karin A. Stephenson; John W. Babich; Kevin P. Maresca; Jon Zubieta","Bifunctional Single Amino Acid Chelates for Labeling of Biomolecules with the {Tc(CO)3}+ and {Re(CO)3}+ Cores. Crystal and Molecular Structures of [ReBr(CO)3(H2NCH2C5H4N)], [Re(CO)3{(C5H4NCH2)2NH}]Br, [Re(CO)3{(C5H4NCH2)2NCH2CO2H}]Br, [Re(CO)3{X(Y)NCH2CO2CH2CH3}]Br (X = Y = 2-pyridylmethyl; X = 2-pyridylmethyl, Y = 2-(1-methylimidazolyl)methyl; X = Y = 2-(1-methylimidazolyl)methyl), [ReBr(CO)3{(C5H4NCH2)NH(CH2C4H3S)}], and [Re(CO)3{(C5H4NCH2)N(CH2C4H3S)(CH2CO2)}]","Inorganic Chemistry","2002","41","","6417","6425","10.1021/ic020476e","","","0.71073","MoKα","","0.0492","0.0397","","","0.0943","0.0987","","","","","","1.056","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4319096","19.5732","0.0004","19.5732","0.0004","10.8225","0.0002","90","","90","","90","","4146.21","0.14","200","2","200","2","","","","","","","","5","P -4 21 c","P -4 2n","114","tetra(4-methoxycarbonylphenyl)tetracyclohexanoporphyrin","","","- C88 H112 Cl2 N4 O12 -","- C88 H112 Cl2 N4 O12 -","- C176 H224 Cl4 N8 O24 -","2","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Patrick J. Carroll; Sergio Dalosto; Sergei A. Vinogradov","Influence of Nonplanarity and Extended Conjugation on Porphyrin Basicity","Inorganic Chemistry","2002","41","","6944","6946","10.1021/ic0260522","","","0.71069","MoKα","","0.0699","0.0659","","0.1526","0.1503","","","","1.168","1.179","1.179","","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319097","20.9448","0.0003","20.9448","0.0003","9.0485","0.0001","90","","90","","90","","3969.44","0.09","200","2","200","2","","","","","","","","4","P -4 21 c","P -4 2n","114","meso-tetraphenyloctamethoxycarbonyltetrabenzoporphyrin","","","- C76 H54 N4 O16 -","- C76 H54 N4 O16 -","- C152 H108 N8 O32 -","2","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Patrick J. Carroll; Sergio Dalosto; Sergei A. Vinogradov","Influence of Nonplanarity and Extended Conjugation on Porphyrin Basicity","Inorganic Chemistry","2002","41","","6944","6946","10.1021/ic0260522","","","0.71069","MoKα","","0.0952","0.0834","","0.2195","0.2107","","","","1.167","1.219","1.219","","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319645","13.4571","0.0015","13.4571","0.0015","13.724","0.002","90","","90","","90","","2485.3","0.5","203","2","203","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","copmpound 1","","- C18 H32 Cl2 N2 Si2 Ti2 -","- C18 H32 Cl2 N2 Si2 Ti2 -","- C72 H128 Cl8 N8 Si8 Ti8 -","4","0.5","","Guangcai Bai; Herbert W. Roesky; Haijun Hao; Mathias Noltemeyer; Hans-Georg Schmidt","Synthesis of the Titanium Compound [(MeC5H4)TiCl(μ-NSiMe3)]2 with Migration of a SiMe3 Group and Preparation of Cp2ZrCl(η2-NHNCHSiMe3}","Inorganic Chemistry","2001","40","","2424","2426","10.1021/ic010007x","","","0.71073","MoKα","","0.0312","0.0304","","0.0804","0.0779","","","","1.123","1.116","1.116","","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319875","16.5689","0.0001","16.5689","0.0001","7.452","0.0001","90","","90","","90","","2045.79","0.03","163","2","163","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C10 H15 O Re -","- C10 H15 O Re -","- C80 H120 O8 Re8 -","8","1","","Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu","Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation","Inorganic Chemistry","2001","40","","2942","2952","10.1021/ic0100931","","","0.71073","MoKα","","0.0511","0.0349","","0.0681","0.0615","","","","1.087","1.045","1.045","","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4320351","16.105","0.002","16.105","0.002","20.25","0.004","90","0.001","90","0.001","90","0.001","5252.3","1.4","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C128 H84 Cd6 O4 Pt4 -","- C128 H84 Cd6 O4 Pt4 -","- C256 H168 Cd12 O8 Pt8 -","2","0.25","","Juan Forniés; Julio Gómez; Elena Lalinde; M. Teresa Moreno","Luminescent Alkynyl Platinum-Cadmium Complexes: Structural Characterization of an Unusual Decanuclear Cluster [Pt4Cd6(C\τbCPh)4(μ-C\τbCPh)12(μ3-OH)4]","Inorganic Chemistry","2001","40","","5415","5419","10.1021/ic010433i","","","0.71073","MoKα","","0.0797","0.0696","","","0.1867","0.2038","","","","","","1.212","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320708","12.5335","0.0004","12.5335","0.0004","17.6353","0.0009","90","","90","","90","","2770.3","0.19","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- Al H34 K6 Mn O56 W11 -","- Al K6 Mn0.96 O56 W11.04 -","- Al2 K12 Mn1.92 O112 W22.08 -","2","0.25","","Jennifer J. Cowan; Alan J. Bailey; Robert A. Heintz; Bao T. Do; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock","Formation, Isomerization, and Derivatization of Keggin Tungstoaluminates","Inorganic Chemistry","2001","40","","6666","6675","10.1021/ic0106120","","","0.71073","MoKα","","0.0453","0.043","","","0.1163","0.1171","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321383","17.205","0.002","17.205","0.002","14.822","0.003","90","","90","","90","","4387.5","1.1","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C72 H72 Cl4 Cu8 N12 O40 -","- C72 H72 Cl4 Cu8 N12 O40 -","- C144 H144 Cl8 Cu16 N24 O80 -","2","0.25","","Ming-Liang Tong; Hung Kay Lee; Ye-Xiang Tong; Xiao-Ming Chen; Thomas C. W. Mak","An Octanuclear Copper(II) Complex Containing thegem-Diol Anionic Form of Di-2-pyridyl Ketone (dpd-2H) and 2-Hydroxypyridine: Synthesis, Crystal Structure, and Properties of [Cu8(dpd-2H)4(μ2-O2CMe)4{2-(OH)C5H4N}4]- (ClO4)4.4H2O","Inorganic Chemistry","2000","39","","4666","4669","10.1021/ic000114b","","","0.71073","MoKα","","0.0567","0.0546","","","0.1431","0.1451","","","","","","1.12","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321830","17.824","0.005","17.824","0.005","8.558","0.003","90","","90","","90","","2718.8","1.4","296.2","","296.2","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C10 H15 Ag S3 W -","- C10 H15 Ag S3 W -","- C80 H120 Ag8 S24 W8 -","8","1","","Jian-Ping Lang; Kazuyuki Tatsumi","Aggregation of the Half-Sandwich Trisulfido Complex of Tungsten with Silver Ions: Synthesis of a Cyanide-Bridged Helical Polymer {[(η5-C5Me5)WS3]2Ag3(CN)}∞and a Cyclic Cluster [(η5-C5Me5)WS3Ag]4","Inorganic Chemistry","1999","38","","1364","1367","10.1021/ic980883j","","","0.7107","MoKα","","0","0","","","0","0.0732","","","","","","2.45","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322865","12.4914","0.0004","12.4914","0.0004","16.2283","0.0008","90","","90","","90","","2532.18","0.17","213","2","213","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C32 H84 Cl Fe4 N4 S8 -","- C32 H84 Cl Fe4 N4 S8 -","- C64 H168 Cl2 Fe8 N8 S16 -","2","0.25","","B. M. Segal; H. R. Hoveyda; R. H. Holm","Terminal Ligand Assignments Based on Trends in Metal-Ligand Bond Lengths of Cubane-Type [Fe4S4]2+,+ Clusters","Inorganic Chemistry","1998","37","","3440","3443","10.1021/ic980092h","","","0.71073","MoKα","","0.1146","0.0549","","0.0973","0.0784","","","","1.064","1.069","1.069","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4323053","14.837","0.002","14.837","0.002","15.117","0.003","90","","90","","90","","3327.8","0.9","163","2","163","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C56 H96 Eu4 O20 -","- C56 H92 Eu4 O20 -","- C112 H184 Eu8 O40 -","2","0.25","","William J. Evans; Michael A. Greci; Joseph W. Ziller","Utility of 2-Methoxyethanol in the Synthesis of Polyeuropium Complexes: {[Eu(OCH2CH2OMe)2(OC6H3R2-2,6)-][H+]}4 (R = Me,iPr) and [EuAl2(OCH2CH2OMe)3Me5]2","Inorganic Chemistry","1998","37","","5221","5226","10.1021/ic9803311","","","0.71073","MoKα","","0.0377","0.0305","","0.0603","0.0576","","","","1.147","1.164","1.164","","","","","has coordinates,has disorder","179333","2020-10-21","18:00:00",""
"4323502","12.782","0.002","12.782","0.002","9.943","0.002","90","","90","","90","","1624.5","0.5","293","2","293","2","","","","","","","synthesized","5","P -4 21 c","P -4 2n","114","trans,trans-Tetrachloro-bis(cyclohexylamido)-bis(cyclohexylamine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(cyclohexylamido)-(trans,trans)-1,2- bis(cyclohexylamine) ditungsten(III)","","- C24 H50 Cl4 N4 W2 -","- C24 H50 Cl4 N4 W2 -","- C48 H100 Cl8 N8 W4 -","2","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 7. Preparation, Characterization, and Structures of W2Cl4(NHR)2(NH2R)2 and W2Cl4(NHR)2(PMe3)2 (R =sec-Butyl and Cyclohexyl) and 31P{1H} NMR Studies of Trans-to-Cis Isomerizations of W2Cl4(NHR)2(PMe3)2","Inorganic Chemistry","1997","36","","3268","3276","10.1021/ic961485o","","","1.54184","CuKα","","0.0574","0.0278","","0.0777","0.0657","","","","1.044","1.128","1.128","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4324106","17.2926","0.0004","17.2926","0.0004","22.8962","0.0008","90","","90","","90","","6846.7","0.3","133.1","","133.1","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C29 H33 Fe N6 O7 -","- C29 H33 Fe N6 O7 -","- C232 H264 Fe8 N48 O56 -","8","1","","Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa","Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers","Inorganic Chemistry","2011","50","","172","177","10.1021/ic1015498","","","0.71075","MoKα","","","0.0749","","","","0.1039","","","","","","1.139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325002","22.3179","0.0003","22.3179","0.0003","15.1244","0.0002","90","","90","","90","","7533.29","0.17","153","2","153","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C39 H43 I2 N2 Pt -","- C39 H43 I2 N2 Pt -","- C312 H344 I16 N16 Pt8 -","8","1","","Joanna R. Webb; Colleen Munro-Leighton; Aaron W. Pierpont; Joshua T. Gurkin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; Jeffrey L. Petersen; Paul D. Boyle","Pt(II) and Pt(IV) Amido, Aryloxide, and Hydrocarbyl Complexes: Synthesis, Characterization, and Reaction with Dihydrogen and Substrates that Possess C-H Bonds","Inorganic Chemistry","2011","50","","4195","4211","10.1021/ic200153n","","","0.71073","MoKα","","0.0281","0.0232","","","0.0783","0.0837","","","","","","0.679","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325355","26.2209","0.0015","26.2209","0.0015","26.591","0.003","90","","90","","90","","18282","3","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C76.5 H63.5 Bi2 Cl4 Mn6 N7.5 O38.5 -","- C67.2 H48 Bi2 Mn6 N3.4 O38.4 -","- C537.6 H384 Bi16 Mn48 N27.2 O307.2 -","8","1","","Theocharis C. Stamatatos; Katie Oliver; Khalil A. Abboud; George Christou","Synthetic Entry into Polynuclear Bismuth-Manganese Chemistry: High Oxidation State BiIII2MnIV6 and BiIIIMnIII10 Complexes","Inorganic Chemistry","2011","50","","5272","5282","10.1021/ic200656q","","","0.71073","MoKα","","0.0997","0.074","","","0.154","0.1647","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4325473","16.053","0.001","16.053","0.001","6.515","0.0006","90","","90","","90","","1678.9","0.2","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C2 Eu4 F5 N4 -","- C2 Eu4 F5 N4 -","- C16 Eu32 F40 N32 -","8","1","","Leonid Unverfehrt; Markus Ströbele; Jochen Glaser; Thorsten Langer; Rolf-Dieter Hoffmann; Rainer Pöttgen; H.-Jürgen Meyer","Refined Crystal Structure and Idealized Structure of Mixed-Valent Eu4F5(CN2)2: Transition Possible","Inorganic Chemistry","2011","50","","6010","6018","10.1021/ic102556u","","","0.71073","MoKα","","0.0275","0.0203","","","0.0441","0.0459","","","","","","0.959","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4326244","18.3083","0.0001","18.3083","0.0001","13.5804","0.0002","90","","90","","90","","4552.07","0.08","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C48 H64 As4 Cu4 Mo12 N24 O52 -","- C48 H52 As4 Cu4 Mo12 N24 O52 -","- C96 H104 As8 Cu8 Mo24 N48 O104 -","2","0.25","","Bo Liu; Zhen-Tao Yu; Jin Yang; Wu Hua; Ying-Ying Liu; Jian-Fang Ma","First Three-Dimensional Inorganic-Organic Hybrid Material Constructed From an ""Inverted Keggin"" Polyoxometalate and a Copper(I)-Organic Complex","Inorganic Chemistry","2011","50","","8967","8972","10.1021/ic201135g","","","0.71073","MoKα","","0.0195","0.0172","","","0.0358","0.036","","","","","","0.984","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4327427","17.305","0.002","17.305","0.002","15.158","0.003","90","","90","","90","","4539.3","1.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C41.5 H38 Cl3.5 Hg N8 O4 -","- C41.5 H38 Cl3.5 Hg N8 O4 -","- C166 H152 Cl14 Hg4 N32 O16 -","4","0.5","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.115","0.0845","","","0.1756","0.186","","","","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329294","16.9298","0.0005","16.9298","0.0005","8.2882","0.0003","90","","90","","90","","2375.55","0.13","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C21 H51 Cl8 N17 O6 Pt4 -","- C21 H51 Cl8 N17 O6 Pt4 -","- C42 H102 Cl16 N34 O12 Pt8 -","2","0.25","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Amidoximes Provide Facile Platinum(II)-Mediated Oxime-Nitrile Coupling","Inorganic Chemistry","2012","51","","5950","5964","10.1021/ic3006019","","","0.71073","MoKα","","0.027","0.0231","","","0.0591","0.0607","","","","","","1.1","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4330351","25.3447","0.0009","25.3447","0.0009","14.4707","0.0006","90","","90","","90","","9295.3","0.6","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","[(HPNPRu)2(Cl)3](BF4) (6)","","","- C32 H74 B Cl3 F4 N2 P4 Ru2 -","- C32 H74 B Cl3 F4 N2 P4 Ru2 -","- C256 H592 B8 Cl24 F32 N16 P32 Ru16 -","8","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0425","0.0336","","","0.1011","0.1069","","","","","","1.235","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4332272","17.257","0.0017","17.257","0.0017","39.409","0.004","90","","90","","90","","11736","2","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C120 H144 Cu2 N24 O10 Zn2 -","- C112 H118 Cu2 N24 O6 Zn2 -","- C448 H472 Cu8 N96 O24 Zn8 -","4","0.5","","Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.","Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes","Inorganic Chemistry","2006","45","9","3686","3694","10.1021/ic060176n","","","1.54248","CuKα","","0.1859","0.1671","","","0.4492","0.461","","","","","","1.657","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332593","10.0228","0.0019","10.0228","0.0019","16.583","0.006","90","","90","","90","","1665.9","0.8","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C7 H4 N O6 Zn -","- C7 H4 N O6 Zn -","- C56 H32 N8 O48 Zn8 -","8","1","","Gao, Hong-Ling; Yi, Long; Zhao, Bin; Zhao, Xiao-Qing; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis and Characterization of Metal−Organic Frameworks Based on 4-Hydroxypyridine-2,6-dicarboxylic Acid and Pyridine-2,6-dicarboxylic Acid Ligands","Inorganic Chemistry","2006","45","15","5980","5988","10.1021/ic060550j","","","0.71073","MoKα","","0.0455","0.0399","","","0.0939","0.0963","","","","","","1.108","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4335151","21.4243","0.0002","21.4243","0.0002","17.8779","0.0003","90","","90","","90","","8205.97","0.18","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C146 H120 Cl30 Cu12 Fe4 P8 S6 -","- C146 H120 Cl30 Cu12 Fe4 P8 S6 -","- C292 H240 Cl60 Cu24 Fe8 P16 S12 -","2","0.25","","Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan","Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands","Inorganic Chemistry","2013","52","","6798","6805","10.1021/ic3021854","","","0.71073","MoKα","","0.0917","0.0626","","","0.1717","0.211","","","","","","1.081","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335589","12.6726","0.0015","12.6726","0.0015","6.1281","0.0014","90","","90","","90","","984.1","0.3","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ga4 Ge Pb4 S12 -","- Ga4 Ge Pb4 S12 -","- Ga8 Ge2 Pb8 S24 -","2","0.25","","Yu-Kun Chen; Mei-Chun Chen; Liu-Jiang Zhou; Ling Chen; Li-Ming Wu","Syntheses, Structures, and Nonlinear Optical Properties of Quaternary Chalcogenides: Pb4Ga4GeQ12 (Q = S, Se)","Inorganic Chemistry","2013","52","","8334","8341","10.1021/ic400995z","","","0.71073","MoKα","","0.0631","0.056","","","0.0881","0.0914","","","","","","1.037","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335590","13.064","0.007","13.064","0.007","6.31","0.005","90","","90","","90","","1076.9","1.2","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ga4 Ge Pb4 Se12 -","- Ga4 Ge Pb4 Se12 -","- Ga8 Ge2 Pb8 Se24 -","2","0.25","","Yu-Kun Chen; Mei-Chun Chen; Liu-Jiang Zhou; Ling Chen; Li-Ming Wu","Syntheses, Structures, and Nonlinear Optical Properties of Quaternary Chalcogenides: Pb4Ga4GeQ12 (Q = S, Se)","Inorganic Chemistry","2013","52","","8334","8341","10.1021/ic400995z","","","0.71073","MoKα","","0.0602","0.0534","","","0.1342","0.1385","","","","","","1.069","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4337115","13.7008","0.0002","13.7008","0.0002","5.6633","0.0001","90","","90","","90","","1063.07","0.03","293","","293","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Bi3.56 K1.319 O11 P2 -","- Bi3.56 K1.3195 O11 P2 -","- Bi14.24 K5.278 O44 P8 -","4","0.5","","Aliev, A.; Endara, D.; Huvé, M; Colmont, M.; Roussel, P.; Delevoye, L.; Tran, T. T.; Halasyamani, P. S.; Mentré, O","Labile Degree of Disorder in Bismuth-Oxophosphate Compounds: Illustration through Three New Structural Types.","Inorganic chemistry","2014","53","2","861","871","10.1021/ic402930d","","x-ray","0.71073","MoKα","","0.0419","0.0314","","","0.0364","0.0618","","","","2.2","2.2","3.42","","","","has coordinates","288070","2023-12-06","12:51:22",""
"4337326","21.5512","0.0018","21.5512","0.0018","19.1984","0.0019","90","","90","","90","","8916.8","1.4","130","2","130","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C110 H176 Co12 O58 P4 -","- C110 H176 Co12 O58 P4 -","- C220 H352 Co24 O116 P8 -","2","0.25","","Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit","High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.","Inorganic chemistry","2014","53","3","1606","1613","10.1021/ic402673v","","","0.71073","MoKα","","0.0676","0.0566","","","0.169","0.1796","","","","","","1.002","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337477","19.5893","0.0001","19.5893","0.0001","15.6809","0.0001","90","","90","","90","","6017.4","0.06","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C94 H192 Bi4 N12 O24 -","- C94 H192 Bi4 N12 O24 -","- C188 H384 Bi8 N24 O48 -","2","0.25","","Cosham, Samuel D.; Hill, Michael S.; Horley, Graeme A.; Johnson, Andrew L.; Jordan, Laura; Molloy, Kieran C.; Stanton, David C.","Synthesis and materials chemistry of bismuth tris-(di-i-propylcarbamate): deposition of photoactive Bi2O3 thin films.","Inorganic chemistry","2014","53","1","503","511","10.1021/ic402499r","","","0.71073","MoKα","","0.027","0.0228","","","0.0546","0.0572","","","","","","1.086","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337851","19.449","0.002","19.449","0.002","20.958","0.002","90","","90","","90","","7927.6","1.4","301","2","301","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C124 H108 Au10 Cl2 N4 O8 P8 S4 -","- C124 H108 Au10 N4 P8 S4 -","- C248 H216 Au20 N8 P16 S8 -","2","0.25","","Cheng, Eddie Chung-Chin; Lo, Wing-Yin; Lee, Terence Kwok-Ming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, Characterization, and Luminescence Studies of Discrete Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular Aurophilic Contacts.","Inorganic chemistry","2014","53","7","3854","","10.1021/ic500215d","","","0.71073","MoKα","","0.0594","0.0477","","","0.1384","0.1525","","","","","","1.062","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337852","19.442","0.002","19.442","0.002","21.17","0.002","90","","90","","90","","8002.1","1.4","301","2","301","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C120 H96 Au10 Cl6 N4 O8 P8 S4 -","- C120 H96 Au10 Cl6 N4 O8 P8 S4 -","- C240 H192 Au20 Cl12 N8 O16 P16 S8 -","2","0.25","","Cheng, Eddie Chung-Chin; Lo, Wing-Yin; Lee, Terence Kwok-Ming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, Characterization, and Luminescence Studies of Discrete Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular Aurophilic Contacts.","Inorganic chemistry","2014","53","7","3854","","10.1021/ic500215d","","","0.71073","mokα","","0.0653","0.0507","","","0.1393","0.1559","","","","","","1.082","","","","has coordinates","134500","2020-10-21","18:00:00",""
"4338667","17.0336","0.0012","17.0336","0.0012","7.7023","0.0005","90","","90","","90","","2234.8","0.3","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","hafnyl chloride octahydrate","","","- Cl8 H64 Hf4 O36 -","- Cl8 Hf4 O36 -","- Cl16 Hf8 O72 -","2","0.25","","Kalaji, Ali; Skanthakumar, S.; Kanatzidis, Mercouri G.; Mitchell, John F.; Soderholm, L.","Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study.","Inorganic chemistry","2014","53","12","6321","6328","10.1021/ic500938k","","","0.71073","MoKα","","0.0306","0.0255","","","0.061","0.0629","","","","","","1.055","","","","has coordinates,has disorder","179489","2020-10-21","18:00:00",""
"4339714","19.923","0.002","19.923","0.002","18.511","0.003","90","","90","","90","","7347.5","1.6","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C38 H44 N4 Ni2 O10.5 -","- C36 H34 N4 Ni2 O10.5 -","- C288 H272 N32 Ni16 O84 -","8","1","","Paital, Alok Ranjan; Wong, Wing Tak; Aromí, Guillem; Ray, Debashis","New [LNiII2]+ complexes incorporating 2-formyl or 2,6-diformyl-4-methyl phenol as inhibitors of the hydrolysis of the ligand L3-: Ni...Ni ferromagnetic coupling and S=2 ground states.","Inorganic chemistry","2007","46","14","5727","5733","10.1021/ic700496c","","","0.71073","MoKα","","0.149","0.0612","","","0.1351","0.1702","","","","","","1.023","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4339993","9.527","0.003","9.527","0.003","5.171","0.001","90","","90","","90","","469.3","0.2","153","2","153","2","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- O12 Se4 -","- O12 Se4 -","- O24 Se8 -","2","0.25","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0518","0.0298","","","0.0691","0.0752","","","","","","1.049","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340221","19.3498","0.0004","19.3498","0.0004","15.6532","0.0008","90","","90","","90","","5860.8","0.3","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","{Hydrotris(3-isopropylpyrazol-1-yl)borato}- dioxo(p-tolylthiolato)molybdenum(VI)","","- C25 H35 B Mo N6 O2 S -","- C25 H35 B Mo N6 O2 S -","- C200 H280 B8 Mo8 N48 O16 S8 -","8","1","","Malarek, Michael S.; Evans, David J.; Smith, Paul D.; Bleeker, Ashley R.; White, Jonathan M.; Young, Charles G.","Pi-acid/pi-base carbonyloxomolybdenum(IV) complexes and their oxomolybdenum(VI/IV) precursors.","Inorganic chemistry","2006","45","5","2209","2216","10.1021/ic0510314","","","0.71073","","","0.033","0.0281","","","0.0608","0.0621","","","","","","0.968","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4343390","16.9122","0.0006","16.9122","0.0006","17.8911","0.0006","90","","90","","90","","5117.3","0.3","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H42 Fe Si2 -","- C24 H42 Fe Si2 -","- C192 H336 Fe8 Si16 -","8","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.035","0.0302","","","0.0708","0.0733","","","","","","1.007","","","","has coordinates","141329","2020-10-21","18:00:00",""
"4344685","17.4852","0.0006","17.4852","0.0006","19.1052","0.0006","90","","90","","90","","5841.1","0.3","283","2","283","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C108 H136 B4 Co5 N42 -","- C108 H136 B4 Co5 N42 -","- C216 H272 B8 Co10 N84 -","2","0.25","","Werner, Tamas W.; Reschke, Stephan; Bunzen, Hana; von Nidda, Hans-Albrecht Krug; Deisenhofer, Joachim; Loidl, Alois; Volkmer, Dirk","[Co5Tp*4(Me2bta)6]: A Highly Symmetrical Pentanuclear Kuratowski Complex Featuring Tris(pyrazolyl)borate and Benzotriazolate Ligands.","Inorganic chemistry","2016","55","3","1053","1060","10.1021/acs.inorgchem.5b01982","","","0.71073","MoKα","","0.0457","0.0378","","","0.0997","0.1085","","","","","","1.112","","","","has coordinates","175570","2020-10-21","18:00:00",""
"4345646","24.767","0.0006","24.767","0.0006","16.3241","0.0005","90","","90","","90","","10013.3","0.5","296","2","296","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C41 H38 Eu F12 N O9 S4 -","- C41 H38 Eu F12 N O9 S4 -","- C328 H304 Eu8 F96 N8 O72 S32 -","8","1","","Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai","Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.","Inorganic chemistry","2017","56","9","5135","5140","10.1021/acs.inorgchem.7b00273","","","0.71073","MoKα","","0.0667","0.0455","","","0.1071","0.121","","","","","","1.109","","","","has coordinates,has disorder","196132","2020-10-21","18:00:00",""
"4346539","16.2752","0.0005","16.2752","0.0005","17.4231","0.0004","90","","90","","90","","4615.1","0.2","300","2","300","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Mn N10 -","- C18 H28 Mn N10 -","- C144 H224 Mn8 N80 -","8","1","","Bermúdez-García, Juan M; Sánchez-Andújar, Manuel; Yáñez-Vilar, Susana; Castro-García, Socorro; Artiaga, Ramón; López-Beceiro, Jorge; Botana, Luis; Alegría, Ángel; Señarís-Rodríguez, María A","Role of Temperature and Pressure on the Multisensitive Multiferroic Dicyanamide Framework [TPrA][Mn(dca)3] with Perovskite-like Structure.","Inorganic chemistry","2015","54","24","11680","11687","10.1021/acs.inorgchem.5b01652","","","0.71073","MoKα","","0.0533","0.0401","","","0.0958","0.1052","","","","","","1.024","","","","has coordinates,has disorder","231830","2020-10-21","18:00:00",""
"4346659","33.2861","0.0014","33.2861","0.0014","56.069","0.002","90","","90","","90","","62122","4","173.15","","173.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C96 H256 Cl14 N6 O32 Ti6 -","- C96 H256 Cl14 N6 O32 Ti6 -","- C1536 H4096 Cl224 N96 O512 Ti96 -","16","2","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.1435","0.1059","","","0.2696","0.3191","","","","","","1.036","","","","has coordinates","231910","2020-10-21","18:00:00",""
"4347328","32.9676","0.0003","32.9676","0.0003","26.6956","0.0004","90","","90","","90","","29014.5","0.6","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","FJI-C2","","","- C108 H34 Cd7 N24 O52 -","- C108 H46 Cd7 N24 O52 -","- C432 H184 Cd28 N96 O208 -","4","0.5","","Wang, Xu-Sheng; Liang, Jun; Li, Lan; Lin, Zu-Jin; Bag, Partha Pratim; Gao, Shui-Ying; Huang, Yuan-Biao; Cao, Rong","An Anion Metal-Organic Framework with Lewis Basic Sites-Rich toward Charge-Exclusive Cationic Dyes Separation and Size-Selective Catalytic Reaction.","Inorganic chemistry","2016","55","5","2641","2649","10.1021/acs.inorgchem.6b00019","","","1.54184","CuKα","","0.0616","0.0522","","","0.1509","0.1666","","","","","","0.633","","","","has coordinates","232267","2020-10-21","18:00:00",""
"4347713","19.5906","0.0006","19.5906","0.0006","20.6319","0.0007","90","","90","","90","","7918.4","0.4","123","","123","","","","","","","","see text","7","P -4 21 c","P -4 2n","114","","","","- C28 H41.5 F12 N10.5 O P2 Ru -","- C28 H41.5 F12 N10.5 O P2 Ru -","- C224 H332 F96 N84 O8 P16 Ru8 -","8","1","","Hollering, Manuela; Weiss, Daniel T.; Bitzer, Mario J.; Jandl, Christian; Kühn, Fritz E","Controlling Coordination Geometries: Ru-Carbene Complexes with Tetra-NHC Ligands.","Inorganic chemistry","2016","55","12","6010","6017","10.1021/acs.inorgchem.6b00509","","x-ray","0.71073","MoKα","","0.0998","0.05","","","0.1014","0.1211","","","","","","1.011","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4347786","10.0675","0.0004","10.0675","0.0004","9.7196","0.0007","90","","90","","90","","985.13","0.09","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","sila-PETNC","Tetrakis(nitrocarbamoylmethyl)silane","","- C8 H12 N8 O16 Si -","- C8 H12 N8 O16 Si -","- C16 H24 N16 O32 Si2 -","2","0.25","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0514","0.0409","","","0.0938","0.0997","","","","","","1.051","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347811","13.6483","0.0005","13.6483","0.0005","14.641","0.0008","90","","90","","90","","2727.3","0.2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C24 H26 Cl2 N6 Ni O8 -","- C24 H26 Cl2 N6 Ni O8 -","- C96 H104 Cl8 N24 Ni4 O32 -","4","0.5","","Sikari, Rina; Sinha, Suman; Jash, Upasona; Das, Siuli; Brandão, Paula; de Bruin, Bas; Paul, Nanda D.","Deprotonation Induced Ligand Oxidation in a Ni(II) Complex of a Redox Noninnocent N(1)-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation.","Inorganic chemistry","2016","55","12","6114","6123","10.1021/acs.inorgchem.6b00646","","","0.71073","MoKα","","0.038","0.0292","","","0.0621","0.0655","","","","","","1.037","","","","has coordinates","232515","2020-10-21","18:00:00",""
"4347856","16.89378","0.00009","16.89378","0.00009","25.8611","0.0002","90","","90","","90","","7380.75","0.08","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C120 H122 Cl4 Eu4 N10 Ni8 O50 -","- C120 H122 Cl4 Eu4 N10 Ni8 O50 -","- C240 H244 Cl8 Eu8 N20 Ni16 O100 -","2","0.25","","Griffiths, Kieran; Kumar, Prashant; Mattock, James D.; Abdul-Sada, Alaa; Pitak, Mateusz B.; Coles, Simon J.; Navarro, Oscar; Vargas, Alfredo; Kostakis, George E.","Efficient Ni(II)2Ln(III)2 Electrocyclization Catalysts for the Synthesis of trans-4,5-Diaminocyclopent-2-enones from 2-Furaldehyde and Primary or Secondary Amines.","Inorganic chemistry","2016","55","14","6988","6994","10.1021/acs.inorgchem.6b00720","","","0.71075","MoKα","","0.028","0.0268","","","0.0897","0.0904","","","","","","1.174","","","","has coordinates,has disorder","232541","2020-10-21","18:00:00",""
"4347969","10.9562","0.0004","10.9562","0.0004","6.2181","0.0002","90","","90","","90","","746.41","0.05","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C12 H12 Cu2 N8 Zn -","- C12 H12 Cu2 N8 Zn -","- C24 H24 Cu4 N16 Zn2 -","2","0.25","","Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu","Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.","Inorganic chemistry","2016","55","12","6201","6207","10.1021/acs.inorgchem.6b00814","","","1.54178","CuKα","","0.0204","0.0204","","","0.0589","0.0589","","","","","","1.128","","","","has coordinates","232598","2020-10-21","18:00:00",""
"4348210","19.1999","0.001","19.1999","0.001","25.815","0.003","90","","90","","90","","9516.3","1.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C27 H7 Mn2 N6 O11 -","- C27 H7 Mn2 N6 O11 -","- C216 H56 Mn16 N48 O88 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.1784","0.0896","","","0.2219","0.2723","","","","","","1.047","","","","has coordinates","232830","2020-10-21","18:00:00",""
"4348324","16.53","0.013","16.53","0.013","8.322","0.006","90","","90","","90","","2274","3","153","2","153","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C10 H10 F18 N2 S4 -","- C10 H10 F18 N2 S4 -","- C40 H40 F72 N8 S16 -","4","0.5","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0639","0.0324","","","0.0736","0.0882","","","","","","1.054","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348979","30.4012","0.0017","30.4012","0.0017","23.676","0.003","90","","90","","90","","21882","3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C110 H128 Cu4 Gd N5 O16 -","- C110 H48 Cu4 Gd N5 O16 -","- C880 H384 Cu32 Gd8 N40 O128 -","8","1","","Richardson, Paul; Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","‘All three-in-one’: ferromagnetic interactions, single-molecule magnetism and magnetocaloric properties in a new family of [Cu4Ln] (LnIII = Gd, Tb, Dy) clusters","Inorganic Chemistry Frontiers","2015","2","10","945","","10.1039/C5QI00146C","","","0.71073","MoKα","","0.0784","0.0644","","","0.1536","0.1623","","","","","","1.077","","","","has coordinates,has disorder","233523","2020-10-21","18:00:00",""
"4348980","30.3009","0.0019","30.3009","0.0019","23.5735","0.0015","90","","90","","90","","21644","2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C110 H128 Cu4 N5 O16 Tb -","- C110 H48 Cu4 N5 O16 Tb -","- C880 H384 Cu32 N40 O128 Tb8 -","8","1","","Richardson, Paul; Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","‘All three-in-one’: ferromagnetic interactions, single-molecule magnetism and magnetocaloric properties in a new family of [Cu4Ln] (LnIII = Gd, Tb, Dy) clusters","Inorganic Chemistry Frontiers","2015","2","10","945","","10.1039/C5QI00146C","","","0.71073","MoKα","","0.0788","0.0612","","","0.151","0.1641","","","","","","1.06","","","","has coordinates","233523","2020-10-21","18:00:00",""
"4349494","19.07","0.003","19.07","0.003","12.81","0.003","90","","90","","90","","4658.5","1.5","173.15","","173.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0422","0.0416","","","0.1078","0.1085","","","","","","1.037","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349933","13.5013","0.0002","13.5013","0.0002","27.8106","0.001","90","","90","","90","","5069.5","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -4 21 c","P -4 2n","114","","Mn(L1)2","","- C62 H68 Mn P2 -","- C62 H68 Mn P2 -","- C248 H272 Mn4 P8 -","4","0.5","","Wang, Gao-Xiang; Yin, Jianhao; Li, Jiapeng; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and characterization of manganese(ii) complexes supported by cyclopentadienyl-phosphine ligands","Inorganic Chemistry Frontiers","2019","6","2","428","","10.1039/C8QI01054D","","x-ray","0.71073","MoKα","","0.0379","0.0368","","","0.0969","0.0978","","","","","","1.074","","","","has coordinates","236956","2020-10-21","18:00:00",""
"4505056","9.1699","0.001","9.1699","0.001","11.0088","0.0017","90","","90","","90","","925.7","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C12 H16 Ag Cl N4 O6 -","- C12 H16 Ag Cl N4 O6 -","- C24 H32 Ag2 Cl2 N8 O12 -","2","0.25","","Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand","Crystal Growth & Design","2005","5","1","73","","10.1021/cg0498756","","","0.71073","MoKα","","","0.0371","","","0.101","0.1059","","","","","","1.048","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505352","22.358","0.003","22.358","","8.1101","0.0013","90","","90","","90","","4054.1","0.8","293","","293","","","","","","","","?","6","P -4 21 c","P -4 2n","114","","","","- C10 H18 Cl2.5 Hg2.25 N8 Ni -","- C40 H72 Cl10 Hg9 N32 Ni4 -","- C80 H144 Cl20 Hg18 N64 Ni8 -","2","0.25","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0461","","","","0.0508","","","","","","4.8799","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506011","11.8293","0.0003","11.8293","0.0003","15.2015","0.0005","90","","90","","90","","2127.18","0.1","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 Co N4 O4 -","- C24 H18 Co N4 O4 -","- C96 H72 Co4 N16 O16 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0248","0.024","","","0.0675","0.0681","","","","","","1.065","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506013","11.775","0.0018","11.775","0.0018","15.111","0.003","90","","90","","90","","2095.1","0.6","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 N4 O4 Zn -","- C24 H18 N4 O4 Zn -","- C96 H72 N16 O16 Zn4 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0229","0.0219","","","0.0577","0.0583","","","","","","1.069","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4507177","13.137","0.005","13.137","0.005","15.308","0.005","90","0.005","90","0.005","90","0.005","2641.9","1.7","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C13.5 H5 Co0.25 N2.5 O5 -","- C13.5 H5 Co0.25 N2.5 O5 -","- C108 H40 Co2 N20 O40 -","8","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0689","0.0652","","","0.1641","0.1671","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507777","8.042","0.0003","8.042","0.0003","28.3749","0.0012","90","","90","","90","","1835.11","0.12","295","2","295","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C56 H72 Cl8 N16 O16 -","8","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0974","0.0654","","","0.1503","0.168","","","","","","1.076","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4508518","12.9399","0.0003","12.9399","0.0003","16.4208","0.0006","90","","90","","90","","2749.52","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H40 Cu4 N24 O4 -","- C60 H40 Cu4 N24 O4 -","- C120 H80 Cu8 N48 O8 -","2","0.25","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.0304","0.0261","","","0.0607","0.0623","","","","","","1.019","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4509047","22.1138","0.001","22.1138","0.001","8.0576","0.0008","90","","90","","90","","3940.3","0.5","291","2","291","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H52 Co2 O22 -","- C24 H52 Co2 O22 -","- C96 H208 Co8 O88 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart R.; Wang, Jian-Ge","Structural Variation from 1D to 3D: Effects of Temperature and pH Value on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System","Crystal Growth & Design","2009","9","4","1741","","10.1021/cg800732e","","","0.71073","MoKα","","0.0402","0.0379","","","0.1262","0.1289","","","","","","1.093","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4510644","16.628","0.0004","16.628","0.0004","11.049","0.0005","90","","90","","90","","3054.94","0.17","100","2","100","2","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","","Poly[(mu-isophthalato-k2O,O':k2O'',O''')(mu-9-methyladenine-kN1:kN7)copper(II)]","","- C14 H11 Cu N5 O4 -","- C14 H4 Cu N5 O4 -","- C112 H32 Cu8 N40 O32 -","8","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.142","0.1286","","","0.2582","0.2662","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4512502","11.6687","0.0001","11.6687","0.0001","25.111","0.0004","90","","90","","90","","3419.08","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","4","","- C58 H58 N6 O23 Pb4 -","- C58 H58 N6 O23 Pb4 -","- C116 H116 N12 O46 Pb8 -","2","0.25","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0393","0.0313","","","0.0671","0.0698","","","","","","1.098","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4514166","12.8527","0.0008","12.8527","0.0008","10.7921","0.0007","90","","90","","90","","1782.77","0.19","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0337","0.0315","","","0.0862","0.0876","","","","","","1.115","","","","has coordinates","200648","2020-10-21","18:00:00",""
"4518778","7.1681","0.0002","7.1681","0.0002","7.2748","0.0003","90","","90","","90","","373.79","0.02","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","Na2.97SbS3.97Cl0.03 tetragonal","","","- M4 Na2.97 Sb -","- M4 Na2.97 Sb -","- M8 Na5.94 Sb2 -","2","0.25","","Gamo, Hirotada; Phuc, Nguyen Huu Huy; Muto, Hiroyuki; Matsuda, Atsunori","Effects of Substituting S with Cl on the Structural and Electrochemical Characteristics of Na3SbS4 Solid Electrolytes","ACS Applied Energy Materials","2021","4","6","6125","6134","10.1021/acsaem.1c00927","powder diffraction","","1.54059","CuKα~1~","","0.0205","","","","","","0.01887","0.03816","1.6259","","","","","","","has coordinates","266946","2021-07-04","01:22:31",""
"4518779","7.1653","0.0001","7.1653","0.0001","7.2896","0.0002","90","","90","","90","","374.259","0.013","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","Na3SbS4 tetragonal","","","- Na3 S4 Sb -","- Na3 S4 Sb -","- Na6 S8 Sb2 -","2","0.25","","Gamo, Hirotada; Phuc, Nguyen Huu Huy; Muto, Hiroyuki; Matsuda, Atsunori","Effects of Substituting S with Cl on the Structural and Electrochemical Characteristics of Na3SbS4 Solid Electrolytes","ACS Applied Energy Materials","2021","4","6","6125","6134","10.1021/acsaem.1c00927","powder diffraction","","1.54059","CuKα~1~","","0.02236","","","","","","0.02309","0.03194","1.516","","","","","","","has coordinates","266946","2021-07-04","01:22:42",""
"4519045","14.5452","0.0002","14.5452","0.0002","29.1039","0.0008","90","","90","","90","","6157.3","0.2","193","2","193","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C39 H34 B N O -","- C39 H34 B N O -","- C312 H272 B8 N8 O8 -","8","1","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0431","0.0391","","","0.0991","0.1023","","","","","","1.041","","","","has coordinates","269472","2021-10-03","19:12:10",""
"5900023","9.38","","9.38","","6.7","","90","","90","","90","","589.5","","","","","","","","","","","","","4","P -4 21 c","","114","","1,3-Dinitrato-2,2-bis(nitratomethyl)propane","","- C5 H8 N4 O12 -","- C5 H8 N4 O12 -","- C10 H16 N8 O24 -","2","0.25","","Booth, A. D.; Llewellyn, F. J.","The crystal structure of pentaerythritol tetranitrate","Journal of the Chemical Society","1947","","","837","846","10.1039/JR9470000837","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910055","9.193","","9.193","","4.299","","90","","90","","90","","363.314","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- F4 N4 S4 -","- F64 N64 S64 -","- F64 N64 S64 -","","","","Wyckoff, R. W. G.","Page 104 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","4","","104","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7000975","23.065","0.003","23.065","0.003","15.363","0.005","90","","90","","90","","8173","3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C38 H34 Fe Mn N8 O6 -","- C38 H32.5 Fe Mn N8 O6 -","- C304 H260 Fe8 Mn8 N64 O48 -","8","1","","Ni, Zhong-Hai; Tao, Jun; Wernsdorfer, Wolfgang; Cui, Ai-Li; Kou, Hui-Zhong","Supramolecular metallomacrocycles based on trans-dicyanoferrite(III) building blocks: synthesis, crystal structure and magnetic properties","Dalton Transactions","2009","","15","2788","2794","10.1039/b814860k","","","0.71073","MoKα","","0.0673","0.0582","","","0.164","0.1735","","","","","","1.011","","","","has coordinates","209583","2020-10-21","18:00:00",""
"7000976","23.047","0.003","23.047","0.003","15.195","0.003","90","","90","","90","","8071","2","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C38 H34 Fe Mn N8 O6 -","- C38 H32 Fe Mn N8 O5.5 -","- C304 H256 Fe8 Mn8 N64 O44 -","8","1","","Ni, Zhong-Hai; Tao, Jun; Wernsdorfer, Wolfgang; Cui, Ai-Li; Kou, Hui-Zhong","Supramolecular metallomacrocycles based on trans-dicyanoferrite(III) building blocks: synthesis, crystal structure and magnetic properties","Dalton Transactions","2009","","15","2788","2794","10.1039/b814860k","","","0.71075","MoKα","","0.0941","0.0846","","","0.2304","0.2367","","","","","","1.009","","","","has coordinates,has disorder","209583","2020-10-21","18:00:00",""
"7000977","23.1615","0.0001","23.1615","0.0001","15.1805","0.0001","90","","90","","90","","8143.66","0.07","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C38 H33 Cl Fe Mn N8 O6 -","- C38 H30 Cl Fe Mn N8 O5.5 -","- C304 H240 Cl8 Fe8 Mn8 N64 O44 -","8","1","","Ni, Zhong-Hai; Tao, Jun; Wernsdorfer, Wolfgang; Cui, Ai-Li; Kou, Hui-Zhong","Supramolecular metallomacrocycles based on trans-dicyanoferrite(III) building blocks: synthesis, crystal structure and magnetic properties","Dalton Transactions","2009","","15","2788","2794","10.1039/b814860k","","","0.71075","MoKα","","0.0969","0.0629","","","0.1594","0.1777","","","","","","1.038","","","","has coordinates,has disorder","209583","2020-10-21","18:00:00",""
"7002755","20.532","0.005","20.532","0.005","8.217","0.005","90","","90","","90","","3464","2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C56 H68 Cl4 Cu4 N12 O24 -","- C56 H68 Cl4 Cu4 N12 O24 -","- C112 H136 Cl8 Cu8 N24 O48 -","2","0.25","","Arora, Himanshu; Lloret, Francesc; Mukherjee, Rabindranath","Molecular squares of Ni(II) and Cu(II): ferromagnetic exchange interaction mediated by syn-anti carboxylate-bridging.","Dalton transactions (Cambridge, England : 2003)","2009","","44","9759","9769","10.1039/b905463d","","","0.71069","MoKα","","0.0772","0.0473","","","0.1044","0.1196","","","","","","0.995","","","","has coordinates,has disorder","179731","2020-10-21","18:00:00",""
"7005224","15.406","0.0015","15.406","0.0015","12.1612","0.0015","90","","90","","90","","2886.4","0.5","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H56 N4 S8 Te -","- C60 H56 N4 S8 Te -","- C120 H112 N8 S16 Te2 -","2","0.25","","Tyrra, Wieland; Naumann, Dieter; Buslei, Sigrid; Kremer, Silke; Pantenburg, Ingo; Scherer, Harald","Perfluoroalkyl(dithiocarbamato) tellurium(II) compounds.","Dalton transactions (Cambridge, England : 2003)","2007","","18","1829","1837","10.1039/b618240b","","","0.71073","MoKα","","0.0851","0.0436","","","0.0756","0.0874","","","","","","0.95","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005336","15.623","0.002","15.623","0.002","21.354","0.004","90","","90","","90","","5212","1.4","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C92 H120 N12 S4 Yb4 -","- C92 H120 N12 S4 Yb4 -","- C184 H240 N24 S8 Yb8 -","2","0.25","","Ma, Liping; Zhang, Jie; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Facile construction of novel organolanthanide square-planar macrocycles through addition of carbodiimide to an amino group.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2718","2722","10.1039/b700845g","","","0.71073","MoKα","","0.1084","0.0787","","","0.2119","0.2332","","","","","","1.113","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7005337","15.6756","0.001","15.6756","0.001","21.494","0.003","90","","90","","90","","5281.6","0.9","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C92 H120 Er4 N12 S4 -","- C92 H120 Er4 N12 S4 -","- C184 H240 Er8 N24 S8 -","2","0.25","","Ma, Liping; Zhang, Jie; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Facile construction of novel organolanthanide square-planar macrocycles through addition of carbodiimide to an amino group.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2718","2722","10.1039/b700845g","","","0.71073","MoKα","","0.1415","0.1026","","","0.2506","0.2766","","","","","","1.195","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7006403","27.942","0.01","27.942","","25.627","0.005","90","","90","","90","","20008","8","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C73.5 H122.5 O29.75 V6 -","- C72 H100 O29 V6 -","- C576 H800 O232 V48 -","8","1","","Sañudo, E Carolina; Smith, Andrew A.; Mason, Pamela V.; Helliwell, Madeleine; Aromí, Guillem; Winpenny, Richard E. P.","Polynuclear vanadium complexes from thermal decomposition of [V3O(O2CPh)6(H2O)3]Cl.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1981","1987","10.1039/b510105k","","","0.71069","MoKα","","0.0813","0.0534","","","0.1328","0.1446","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007192","9.5865","0.0014","9.5865","0.0014","17.933","0.004","90","","90","","90","","1648.1","0.5","250","2","250","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine)iron(ii) diperchlorate (compound 6)","Bis[2,6-bis(4-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate (compound 6)","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C52 H52 Cl4 Fe2 N20 O16 -","2","0.25","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.1149","0.0708","","","0.1831","0.2192","","","","","","1.041","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007321","13.207","0.0007","13.207","0.0007","12.589","0.0008","90","","90","","90","","2195.8","0.2","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H70 Co5 N4 O22 -","- C34 H70 Co5 N4 O22 -","- C68 H140 Co10 N8 O44 -","2","0.25","","Ferguson, Alan; Parkin, Andrew; Murrie, Mark","Synthesis and structural characterisation of polynuclear cobalt complexes with partially-deprotonated Bis-tris.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3627","3628","10.1039/b603622h","","","0.71073","MoKα","","0.0646","0.0475","","0.1134","0.1077","0.1134","","","","","","0.8874","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007428","16.632","0.002","16.632","0.002","12.929","0.003","90","0.003","90","0.003","90","0.003","3576.5","1","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","X-Seed","","","- C18 H13 Bi N2 O4 -","- C18 H13 Bi N2 O4 -","- C144 H104 Bi8 N16 O32 -","8","1","","Andrews, Philip C.; Deacon, Glen B.; Junk, Peter C.; Kumar, Ish; Silberstein, Morry","Synthetic and structural comparisons of bismuth(III) carboxylates synthesised under solvent-free and reflux conditions.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4852","4858","10.1039/b605002f","","","0.71073","MoKα","","0.0433","0.0268","","","0.0354","0.04","","","","","","1.044","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7010531","11.305","0.003","11.305","0.003","9.273","0.003","90","","90","","90","","1185.1","0.6","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C16 H36 S4 Sn -","- C16 H36 S4 Sn -","- C32 H72 S8 Sn2 -","2","0.25","","Barone, Giampaolo; Hibbert, Thomas G.; Mahon, Mary F.; Molloy, Kieran C.; Parkin, Ivan P.; Price, Louise S.; Silaghi-Dumitrescu, Ioan","Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","23","3435","","10.1039/b010157p","","","0.7093","","","0.0492","0.0297","","","0.072","0.0821","","","","","","0.959","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010943","20.995","0.002","20.995","0.002","7.237","0.001","90","","90","","90","","3190","0.6","298","2","298","2","","","","","","","Recrystallized from MeOH/H~2~O","5","P -4 21 c","P -4 2n","114","","","","- C56 H48 Cu4 N12 O26 -","- C56 H48 Cu4 N12 O26 -","- C112 H96 Cu8 N24 O52 -","2","0.25","","Acevedo-Chávez, Rodolfo; Costas, María Eugenia; Bernès, Sylvain; Medina, Gerardo; Gasque, Laura","A ferrimagnetic cyclic tetranuclear copper(ii) complex: cyclo-[tetrakis(μ-η3-hydroxyethanoato-1κO:2κ2O',O″)tetrakis(1,10-phenanthroline)tetracopper] tetranitrate dihydrate. Structural and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2002","","12","2553","","10.1039/b105735a","","x-ray","0.71073","MoKα","","0.0506","0.0401","","","0.1095","0.1159","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7011915","12.288","0.001","12.288","0.001","14.407","0.002","90","","90","","90","","2175.4","0.4","169.2","","169.2","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C9 H20 Li N3 -","- C9 H20 Li N3 -","- C72 H160 Li8 N24 -","8","1","","Arnold, John; Knapp, Volker; Schmidt, Joseph A. R.; Shafir, Alexandr","Reactions of N,N???,N???-trimethyl-1,4,7-triazacyclononane with butyllithium reagents","Journal of the Chemical Society, Dalton Transactions","2002","","17","3273","","10.1039/b205792c","","","0.7107","MoKα","","0.0825","0.0373","","0.0411","0.0349","0.0349","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012764","17.2628","0.0003","17.2628","0.0003","18.0235","0.0005","90","","90","","90","","5371.1","0.2","173","2","173","2","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","[{AlMe2(PhNSiMe3)}2]","","","- C22 H40 Al2 N2 Si2 -","- C22 H40 Al2 N2 Si2 -","- C176 H320 Al16 N16 Si16 -","8","1","","Bezombes, Jean-Philippe; Gehrhus, Barbara; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","A comparative study of the behaviour of N-trimethylsilyl and N-neopentyl-anilines and 1,2-diaminobenzenes towards trimethylalane; X-ray structures of nine Al‒N compounds","Dalton Transactions","2003","","9","1821","","10.1039/b300957m","","x-ray","0.71073","MoKα","","0.0592","0.0431","","","0.092","0.0994","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7014163","20.0636","0.0006","20.0636","0.0006","8.9176","0.0002","90","","90","","90","","3589.76","0.17","180","2","180","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C64 H76 Li4 O4 P8 -","- C64 H76 Li4 O4 P8 -","- C128 H152 Li8 O8 P16 -","2","0.25","","Garcia, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; McPartlin, Mary; Wright, Dominic S.","Selective formation of the [PhP(H)-PPh]- anion in the reaction of PhPHLi with MeAlCl(2); synthesis and structure of the unusual tetramer [(PhP(H)-PPh)Li.thf]4.","Dalton transactions (Cambridge, England : 2003)","2004","","7","977","979","10.1039/b402295e","","","0.71069","MoKα","","0.0626","0.057","","","0.18","0.1885","","","","","","1.071","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7015639","17.7754","0.0011","17.7754","0.0011","8.8374","0.0006","90","","90","","90","","2792.3","0.3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","compound 1- interrupted sodalite AlPO","","","- C10 H24 Al4 N2 O20 P5 -","- C10 H24 Al4 N2 O20 P5 -","- C40 H96 Al16 N8 O80 P20 -","4","0.5","","Wragg, David S.; Fullerton, Grace M.; Byrne, Peter J.; Slawin, Alexandra M. Z.; Warren, John E.; Teat, Simon J.; Morris, Russell E.","Solvothermal aluminophosphate zeotype synthesis with ionic liquid precursors.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4926","4932","10.1039/c0dt01788d","","","0.7749","synchrotron","","0.0878","0.0797","","","0.2304","0.239","","","","","","1.061","","","","has coordinates,has disorder","179860","2020-10-21","18:00:00",""
"7016048","25.696","0.004","25.696","0.004","26.818","0.005","90","","90","","90","","17708","5","149","2","149","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C44.5 H119 Ge9 Li Mo N4 O3 Si12 -","- C44.5 H119 Ge9 Li Mo N4 O3 Si12 -","- C356 H952 Ge72 Li8 Mo8 N32 O24 Si96 -","8","1","","Henke, Florian; Schenk, Christian; Schnepf, Andreas","[Si(SiMe(3))(3)](3)Ge(9)M(CO)(3)(-) (M = Cr, Mo, W): Coordination Chemistry with metalloid Clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6704","6710","10.1039/c1dt10096c","","","0.71073","MoKα","","0.1695","0.0677","","","0.1029","0.1309","","","","","","0.801","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016050","25.736","0.004","25.736","0.004","26.755","0.005","90","","90","","90","","17721","5","149","2","149","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C44.5 H119 Ge9 Li N4 O3 Si12 W -","- C44.5 H119 Ge9 Li N4 O3 Si12 W -","- C356 H952 Ge72 Li8 N32 O24 Si96 W8 -","8","1","","Henke, Florian; Schenk, Christian; Schnepf, Andreas","[Si(SiMe(3))(3)](3)Ge(9)M(CO)(3)(-) (M = Cr, Mo, W): Coordination Chemistry with metalloid Clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6704","6710","10.1039/c1dt10096c","","","0.71073","MoKα","","0.0854","0.0491","","","0.0694","0.0776","","","","","","0.906","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016051","25.726","0.004","25.726","0.004","26.657","0.005","90","","90","","90","","17642","5","149","2","149","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C44.5 H119 Cr Ge9 Li N4 O3 Si12 -","- C44.5 H119 Cr Ge9 Li N4 O3 Si12 -","- C356 H952 Cr8 Ge72 Li8 N32 O24 Si96 -","8","1","","Henke, Florian; Schenk, Christian; Schnepf, Andreas","[Si(SiMe(3))(3)](3)Ge(9)M(CO)(3)(-) (M = Cr, Mo, W): Coordination Chemistry with metalloid Clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6704","6710","10.1039/c1dt10096c","","","0.71073","MoKα","","0.2243","0.0659","","","0.0875","0.1274","","","","","","0.759","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7017137","17.123","0.002","17.123","0.002","15.959","0.003","90","","90","","90","","4679.1","1.2","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 N8 O36 Tb4 -","- C96 H84 N8 O36 Tb4 -","- C192 H168 N16 O72 Tb8 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.71073","MoKα","","0.0622","0.0475","","","0.1142","0.1276","","","","","","1.123","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017138","17.0831","0.0003","17.0831","0.0003","15.9784","0.0003","90","","90","","90","","4663.01","0.15","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 Er4 N8 O36 -","- C96 H84 Er4 N8 O36 -","- C192 H168 Er8 N16 O72 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.71073","MoKα","","0.0463","0.027","","","0.0511","0.0564","","","","","","1.037","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017140","17.125","0.002","17.125","0.002","15.993","0.003","90","","90","","90","","4690.2","1.2","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 Dy4 N8 O36 -","- C96 H84 Dy4 N8 O36 -","- C192 H168 Dy8 N16 O72 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.773748","synchrotron","","0.0211","0.0207","","","0.0517","0.0519","","","","","","1.078","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017141","17.209","0.002","17.209","0.002","16.019","0.003","90","","90","","90","","4744","1.2","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C96 H84 Gd4 N8 O36 -","- C96 H84 Gd4 N8 O36 -","- C192 H168 Gd8 N16 O72 -","2","0.25","","Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.","Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12169","12179","10.1039/c1dt10580a","","","0.77369","synchrotron","","0.019","0.0189","","","0.0476","0.0477","","","","","","1.072","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7018052","13.6544","0.0019","13.6544","0.0019","6.5215","0.0013","90","","90","","90","","1215.9","0.3","93","2","93","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ag Ba4 Ga5 Se12 -","- Ag Ba4 Ga5 Se12 -","- Ag2 Ba8 Ga10 Se24 -","2","0.25","","Yin, Wenlong; Feng, Kai; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Ba(2)AgInS(4) and Ba(4)MGa(5)Se(12) (M = Ag, Li): syntheses, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2272","2276","10.1039/c2dt11895e","","","0.71073","MoKα","","0.0301","0.0281","","","0.0517","0.0522","","","","","","1.141","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018053","13.5906","0.0019","13.5906","0.0019","6.5148","0.0013","90","","90","","90","","1203.3","0.3","93","2","93","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba4 Ga5 Li Se12 -","- Ba4 Ga5 Li Se12 -","- Ba8 Ga10 Li2 Se24 -","2","0.25","","Yin, Wenlong; Feng, Kai; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng","Ba(2)AgInS(4) and Ba(4)MGa(5)Se(12) (M = Ag, Li): syntheses, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2272","2276","10.1039/c2dt11895e","","","0.71073","MoKα","","0.0358","0.0332","","","0.0639","0.066","","","","","","1.129","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018738","31.01","0.004","31.01","0.004","28.765","0.006","90","","90","","90","","27661","8","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C182 H280 Cl2 Cu9 N18 O96 -","- C182 H162 Cl2 Cu9 N18 O40 -","- C728 H648 Cl8 Cu36 N72 O160 -","4","0.5","","Zhao, Xiao-Liang; Sun, Di; Hu, Tuo-Ping; Yuan, Shuai; Gu, Li-Chuan; Cong, Heng-Jiang; He, Hai-Yan; Sun, Dao-Feng","Phase transfer catalyst supported, room-temperature biphasic synthesis: a facile approach to the synthesis of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4320","4323","10.1039/c2dt12427k","","","0.71073","MoKα","","0.0846","0.0801","","","0.2281","0.2348","","","","","","1.078","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7019064","12.882","0.0005","12.882","0.0005","13.7401","0.0007","90","","90","","90","","2280.11","0.17","193","2","193","","","","","","","","","5","P -4 21 c","P -4 2n","114","'(m2-Oxo)-bis(N,N'-dimethylethylenediamine-diacetato- N,N',O,O')-diiron(iii)","'(m2-Oxo)-bis(N,N'-dimethylethylenediamine-diacetato-N,N',O,O')-diiron(iii)","","- C34 H64 Fe4 N8 O20 -","- C34 H36 Fe4 N8 O22 -","- C68 H72 Fe8 N16 O44 -","2","0.25","","Cappillino, Patrick J.; Miecznikowski, John R.; Tyler, Laurie A.; Tarves, Paul C.; McNally, Joshua S.; Lo, Wayne; Kasibhatla, Bala Sundari T.; Krzyaniak, Matthew D.; McCracken, John; Wang, Feng; Armstrong, William H.; Caradonna, John P.","Studies of iron(II) and iron(III) complexes with fac-N2O, cis-N2O2 and N2O3 donor ligands: models for the 2-His 1-carboxylate motif of non-heme iron monooxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5662","5677","10.1039/c2dt11096b","","","0.71073","MoKα","","0.0363","0.0356","","","0.1333","0.1349","","","","","","1.314","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7019180","17.3688","0.0001","17.3688","0.0001","13.8272","0.0002","90","","90","","90","","4171.32","0.07","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","slh0426/152a","","- C40 H28 Br6 N8 Ni -","- C40 H28 Br6 N8 Ni -","- C160 H112 Br24 N32 Ni4 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles Neé Huth, Susanne L; Devillanova, Francesco A.; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Reactivity of phosphonodithioato-dppt Ni(II) mixed ligand complexes with halogens: first example of a metal-coordinating tribromide anion.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6611","6613","10.1039/c2dt30540b","","","0.71073","MoKα","","0.0712","0.0514","","","0.1034","0.1146","","","","","","1.099","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7020702","16.6963","0.0015","16.6963","0.0015","14.714","0.0013","90","","90","","90","","4101.8","0.6","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C78 H60 N12 O22 Zn8 -","- C78 H60 N12 O22 Zn8 -","- C156 H120 N24 O44 Zn16 -","2","0.25","","Kielland, Nicola; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Kleij, Arjan W.","Unsymmetrical octanuclear Schiff base clusters: synthesis, characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1427","1436","10.1039/c2dt31723k","","","0.71073","MoKα","","0.1175","0.0571","","","0.1519","0.1911","","","","","","1.147","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020783","22.2776","0.001","22.2776","0.001","14.7609","0.0006","90","","90","","90","","7325.7","0.6","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C49 H61 Cl3 Co6 F12 N24 O14 P2 -","- C49 H45 Cl3 Co6 F12 N24 O14 P2 -","- C196 H180 Cl12 Co24 F48 N96 O56 P8 -","4","0.5","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0688","0.0503","","","","0.1346","","","","","","1.036","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020788","22.0251","0.0011","22.0251","0.0011","14.7509","0.0007","90","","90","","90","","7155.7","0.6","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C52 H63 Co6 F12 N29 O10 P2 -","- C52 H60 Co6 F12 N29 O10 P2 -","- C208 H240 Co24 F48 N116 O40 P8 -","4","0.5","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0555","0.0427","","","","0.1098","","","","","","1.042","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7021070","16.7755","0.0005","16.7755","0.0005","17.8638","0.0007","90","","90","","90","","5027.2","0.3","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H35 N6 O7.5 -","- C24 H32 N6 O7.5 -","- C192 H256 N48 O60 -","8","1","","Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6149","6160","10.1039/c2dt32363j","","","0.71073","MoKα","","0.0724","0.0622","","","0.1732","0.1835","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021956","26.1251","0.001","26.1251","0.001","14.4637","0.0005","90","","90","","90","","9871.8","0.6","193","2","193","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C43 H51 F12 Ir N7 O P2 Rh -","- C43 H49 F12 Ir N7 O P2 Rh -","- C344 H392 F96 Ir8 N56 O8 P16 Rh8 -","8","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0536","0.0508","","","0.1371","0.1389","","","","","","1.092","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021957","26.0416","0.0005","26.0416","0.0005","14.3561","0.0003","90","","90","","90","","9735.8","0.3","191","2","191","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C43 H49 F12 Ir N7 P2 Rh -","- C43 H49 F12 Ir N7 P2 Rh -","- C344 H392 F96 Ir8 N56 P16 Rh8 -","8","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0516","0.0494","","","0.1485","0.1507","","","","","","1.034","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022109","8.7106","0.0011","8.7106","0.0011","19.178","0.002","90","","90","","90","","1455.1","0.3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Bis(2,6-di(pyrazinyl)pyridine)cobalt(ii) ditetrafluoroborate","Bis[2,6-di(pyrazinyl)pyridine]cobalt(II) ditetrafluoroborate","","- C26 H18 B2 Co F8 N10 -","- C26 H18 B2 Co F8 N10 -","- C52 H36 B4 Co2 F16 N20 -","2","0.25","","Cook, Laurence J Kershaw; Tuna, Floriana; Halcrow, Malcolm A.","Iron(II) and cobalt(II) complexes of tris-azinyl analogues of 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2254","2265","10.1039/c2dt31736b","","","0.71073","MoKα","","0.0635","0.0614","","","0.1314","0.1326","","","","","","1.132","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7023639","26.1251","0.001","26.1251","0.001","14.4637","0.0005","90","","90","","90","","9871.8","0.6","193","2","193","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C43 H51 F12 Ir N7 O P2 Rh -","- C43 H49 F12 Ir N7 O P2 Rh -","- C344 H392 F96 Ir8 N56 O8 P16 Rh8 -","8","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0536","0.0508","","","0.1371","0.1389","","","","","","1.092","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023640","26.0416","0.0005","26.0416","0.0005","14.3561","0.0003","90","","90","","90","","9735.8","0.3","191","2","191","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C43 H49 F12 Ir N7 P2 Rh -","- C43 H49 F12 Ir N7 P2 Rh -","- C344 H392 F96 Ir8 N56 P16 Rh8 -","8","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0516","0.0494","","","0.1485","0.1507","","","","","","1.034","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023737","11.008","0.0007","11.008","0.001","21.318","0.002","90","0","90","0","90","0","2583.2","0.4","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","tetrakis(amidate) hafnium, 6","","","- C60 H56 Hf N4 O4 -","- C60 H56 Hf N4 O4 -","- C120 H112 Hf2 N8 O8 -","2","0.25","","Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L.","Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15670","15677","10.1039/c3dt51868j","","x-ray","0.71073","MoKα","","0.0489","0.0297","","","0.0727","0.0824","","","","","","1.029","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7025185","14.8254","0.0019","14.8254","0.0019","16.278","0.003","90","","90","","90","","3577.8","0.9","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C64 H84 Cl2 N4 O P4 Si4 Zn4 -","- C64 H84 Cl2 N4 O P4 Si4 Zn4 -","- C128 H168 Cl4 N8 O2 P8 Si8 Zn8 -","2","0.25","","Valerio Cárdenas, Cintya; Muñoz Hernández, Miguel Angel; Grévy, Jean-Michel","Reactivity of Zn(II), Mg(II) and Al(III) chlorides with a phosphinimine ligand: new tetrameric inverse crown ether structures.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6441","6448","10.1039/b925580j","","","0.71073","MoKα","","0.0456","0.0364","","","0.057","0.0581","","","","","","0.976","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025186","14.8622","0.0016","14.8622","0.0016","16.258","0.002","90","","90","","90","","3591.1","0.7","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C64 H84 Cl2 Mg4 N4 O P4 Si4 -","- C64 H84 Cl2 Mg4 N4 O P4 Si4 -","- C128 H168 Cl4 Mg8 N8 O2 P8 Si8 -","2","0.25","","Valerio Cárdenas, Cintya; Muñoz Hernández, Miguel Angel; Grévy, Jean-Michel","Reactivity of Zn(II), Mg(II) and Al(III) chlorides with a phosphinimine ligand: new tetrameric inverse crown ether structures.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6441","6448","10.1039/b925580j","","","0.71073","MoKα","","0.0457","0.0417","","","0.0939","0.0957","","","","","","1.029","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7026141","13.3395","0.0004","13.3395","0.0004","7.1811","0.0003","90","","90","","90","","1277.82","0.08","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C16 H26 Ag2 N8 O5 S5 -","- C16 H24 Ag2 N8 O5 S5 -","- C32 H48 Ag4 N16 O10 S10 -","2","0.25","","Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.","Novel complexes of silver(I) sulfate with 1-methylimidazole-2-thione: structures and vibrational spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6542","6550","10.1039/c0dt00231c","","","0.71073","MoKα","","0.075","0.054","","","0.0899","0.0931","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7027553","19.4566","0.0007","19.4566","0.0007","27.244","0.001","90","","90","","90","","10313.5","0.6","160","2","160","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C104 H96 Cl2 F6 Hg1.5 P9 Pt4 S4 -","- C104 H96 Cl2 F6 Hg1.5 P9 Pt4 S4 -","- C416 H384 Cl8 F24 Hg6 P36 Pt16 S16 -","4","0.5","","Capdevila, Mercè; Carrasco, Yolanda; Clegg, William; Coxall, Robert A.; González-Duarte, Pilar; Lledós, Agustí; Antonio Ramírez, José; Ramírez, Antonio","Extending knowledge on the nucleophilicity of the {Pt2S2} core: Ph2PCH2CH2PPh2 as an alternative terminal ligand in [L2Pt(μ-S)2PtL2] metalloligands †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3103","","10.1039/a903899j","","","0.71073","MoKα","","0.0464","0.0359","","0.0984","0.0923","","","","1.067","1.071","1.071","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027599","11.5184","0.0006","11.5184","0.0006","19.7666","0.0016","90","","90","","90","","2622.5","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C28 H26 Cu O2 P S2 -","- C28 H26 Cu O2 P S2 -","- C112 H104 Cu4 O8 P4 S8 -","4","0.5","","Sampanthar, Jeyagowry T.; Vittal, Jagadese J.; Dean, Philip A. W.","Chemistry of thiocarboxylates: syntheses and characterization of silver and copper thiocarboxylate complexes, and the structures of [Ph4P][M(SC{O}Me)2] (M = Cu or Ag) and [Et3NH][Ag(SC{O}Ph)2]","Journal of the Chemical Society, Dalton Transactions","1999","","18","3153","","10.1039/a904718b","","","0.71073","MoKα","","0.1796","0.1072","","","0.1439","0.1654","","","","","","1.195","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027600","11.7596","0.0001","11.7596","0.0001","19.1859","0.0003","90","","90","","90","","2653.18","0.05","293","2","293","2","","","","","","","see text","6","P -4 21 c","P -4 2n","114","","","","- C28 H26 Ag O2 P S2 -","- C28 H26 Ag O2 P S2 -","- C112 H104 Ag4 O8 P4 S8 -","4","0.5","","Sampanthar, Jeyagowry T.; Vittal, Jagadese J.; Dean, Philip A. W.","Chemistry of thiocarboxylates: syntheses and characterization of silver and copper thiocarboxylate complexes, and the structures of [Ph4P][M(SC{O}Me)2] (M = Cu or Ag) and [Et3NH][Ag(SC{O}Ph)2]","Journal of the Chemical Society, Dalton Transactions","1999","","18","3153","","10.1039/a904718b","","","0.71073","MoKα","","0.0455","0.0332","","0.0851","0.0799","","","","1.061","1.11","1.11","","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7028812","18.5183","0.0016","18.5183","0.0016","17.4171","0.0015","90","","90","","90","","5972.8","0.9","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H30 N7 Ni2 O9.5 -","- C22 H29 N7 Ni2 O9.5 -","- C176 H232 N56 Ni16 O76 -","8","1","","Ghosh, Aloke Kumar; Pait, Moumita; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis","Self-assembly of a [Ni8] carbonate cube incorporating four μ4-carbonato linkers through fixation of atmospheric CO2 by ligated [Ni2] complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1970","1973","10.1039/c3dt52999a","","","0.71073","MoKα","","0.0759","0.0525","","","0.1378","0.1597","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029881","15.3674","0.0011","15.3674","0.0011","13.9783","0.0011","90","","90","","90","","3301.1","0.4","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","2,6-Diisopropyl-N-(2-pyridinylmethylene)phenylamine","","- C18 H22 N2 -","- C18 H22 N2 -","- C144 H176 N16 -","8","1","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0434","0.0348","","","0.0851","0.0916","","","","","","1.012","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7030053","16.9469","0.0014","16.9469","0.0014","10.784","0.0011","90","","90","","90","","3097.1","0.5","100","1","100","1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H96 Ce N4 O8 -","- C60 H96 Ce N4 O8 -","- C120 H192 Ce2 N8 O16 -","2","0.25","","Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","A homoleptic η(2) hydroxylaminato Ce(IV) complex with S4 symmetry.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6300","6303","10.1039/c4dt00287c","","","0.71073","MoKα","","0.0593","0.0362","","","0.0889","0.1032","","","","","","1.076","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030179","21.6139","0.0004","21.6139","0.0004","11.7959","0.0004","90","","90","","90","","5510.6","0.2","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C25 H31 Cl4 N2 P Pd -","- C25 H31 Cl4 N2 P Pd -","- C200 H248 Cl32 N16 P8 Pd8 -","8","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Llamas-Lorente, Pilar; Raja, Rosalia; Bautista, Delia; Orenes, Raul-Angel","Palladium complexes derived from N,N-bidentate NH-iminophosphorane ligands: synthesis and use as catalysts in the Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12259","12269","10.1039/c2dt31290e","","","0.71073","MoKα","","0.031","0.0304","","","0.0793","0.0799","","","","","","1.097","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030454","8.6668","0.0002","8.6668","0.0002","30.8408","0.0012","90","","90","","90","","2316.56","0.12","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H40 Cr N2 -","- C24 H40 Cr N2 -","- C96 H160 Cr4 N8 -","4","0.5","","Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9052","9060","10.1039/c4dt00533c","","","0.71073","MoKα","","0.0279","0.0265","","","0.0658","0.0663","","","","","","1.131","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031223","20.4136","0.0003","20.4136","0.0003","19.3775","0.0003","90","","90","","90","","8074.9","0.2","108","2","108","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H32 Cu2 F4 N6 O8 -","- C37 H27.5 Cu2 F4 N4.5 O8 -","- C296 H220 Cu16 F32 N36 O64 -","8","1","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Crystal structures, CO2 adsorption, and dielectric properties of [Cu(ii)2(R-benzoate)4(pyrazine)]∞polymers (R = m-F, 2,3-F2, m-Cl, and m-CH3).","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9081","9089","10.1039/c4dt00258j","","","1.54187","CuKα","","0.0833","0.0583","","","0.1333","0.1432","","","","","","0.96","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7033349","13.6066","0.0019","13.6066","0.0019","6.5095","0.0013","90","","90","","90","","1205.2","0.3","153","2","153","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba4 Ga4 Se12 Sn -","- Ba4 Ga4 Se12 Sn -","- Ba8 Ga8 Se24 Sn2 -","2","0.25","","Yin, Wenlong; Lin, Zuohong; Kang, Lei; Kang, Bin; Deng, Jianguo; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Syntheses, structures, and optical properties of Ba4Ga4SnSe12 and Ba6Ga2SnSe11.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2259","2266","10.1039/c4dt02244k","","","0.71073","MoKα","","0.0477","0.0465","","","0.1049","0.1056","","","","","","1.094","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7034335","15.1711","0.0006","15.1711","0.0006","25.4506","0.0013","90","","90","","90","","5857.8","0.4","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C128 H148 K4 N16 O8 -","- C128 H148 K4 N16 O8 -","- C256 H296 K8 N32 O16 -","2","0.25","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","1.54184","CuKα","","0.076","0.0586","","","0.1573","0.1771","","","","","","1.043","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7036507","19.8481","0.0007","19.8481","","7.1359","0.0003","90","","90","","90","","2811.17","0.15","150","2","150","2","","","","","","","synthesis as described","4","P -4 21 c","P -4 2n","114","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0793","0.0729","","","0.1443","0.1474","","","","","","1.118","","","","has coordinates,has disorder","171186","2020-10-21","18:00:00",""
"7038700","14.4028","0.0016","14.4028","0.0016","19.526","0.002","90","","90","","90","","4050.5","0.8","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","1-Lu(B)","[(C5Me5)2Lu]2(μ-η2:η2-N2)","","- C40 H60 Lu2 N2 -","- C40 H60 Lu2 N2 -","- C160 H240 Lu8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0402","0.0325","","","0.0865","0.0911","","","","","","1.145","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038701","14.3199","0.0019","14.3199","0.0019","19.597","0.003","90","","90","","90","","4018.6","1","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 Lu2 N2 -","- C40 H60 Lu2 N2 -","- C160 H240 Lu8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0285","0.0254","","","0.065","0.066","","","","","","1.082","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038702","14.317","0.003","14.317","0.003","19.639","0.005","90","","90","","90","","4025.5","1.6","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 Lu2 N2 -","- C40 H60 Lu2 N2 -","- C160 H240 Lu8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0296","0.0274","","","0.0746","0.0758","","","","","","1.096","","","","has coordinates,has disorder","187134","2020-10-21","18:00:00",""
"7038703","14.4239","0.0019","14.4239","0.0019","19.665","0.003","90","","90","","90","","4091.3","1","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","1-Gd","[(C5Me5)2Gd]2(μ-η2:η2-N2)","","- C40 H60 Gd2 N2 -","- C40 H60 Gd2 N2 -","- C160 H240 Gd8 N8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0183","0.0169","","","0.0418","0.0424","","","","","","1.052","","","","has coordinates","187134","2020-10-21","18:00:00",""
"7038704","14.4075","0.0015","14.4075","0.0015","19.627","0.002","90","","90","","90","","4074.1","0.7","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","1-Tb","[(C5Me5)2Tb]2(μ-η2:η2-N2)","","- C40 H60 N2 Tb2 -","- C40 H60 N2 Tb2 -","- C160 H240 N8 Tb8 -","4","0.5","","Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J.","Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14634","14644","10.1039/c5dt04547a","","","0.71073","MoKα","","0.0171","0.0159","","","0.0372","0.0377","","","","","","1.028","","","","has coordinates","187134","2020-10-21","18:00:00",""
"7041012","19.79","0.0017","19.79","0.0017","9.32","0.0009","90","","90","","90","","3650.1","0.6","200","2","200","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H26 Br2 N4 P2 Pt -","- C10 H26 Br2 N4 P2 Pt -","- C80 H208 Br16 N32 P16 Pt8 -","8","1","","Itazaki, Masumi; Tsuchida, Noriko; Shigesato, Yuka; Takano, Keiko; Nakazawa, Hiroshi","R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19216","19220","10.1039/c6dt02314b","","","0.7107","MoKα","","0.0513","0.0473","","","0.0709","0.0737","","","","","","1.251","","","","has coordinates","190133","2020-10-21","18:00:00",""
"7043356","10.9577","0.0002","10.9577","0.0002","6.2808","0.0003","90","","90","","90","","754.14","0.04","130","2","130","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C16 H12 O4 Sn -","- C16 H12 O4 Sn -","- C32 H24 O8 Sn2 -","2","0.25","","Gebauer, Ireen; Gräsing, Daniel; Matysik, Jörg; Zahn, Stefan; Zeckert, Kornelia","Penta- and hexaorganostannate(iv) complexes based on O-heterocyclic ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01336A","","x-ray","0.71073","MoKα","","0.0392","0.0273","","","0.05","0.0536","","","","","","1.081","","","","has coordinates","197902","2020-10-21","18:00:00",""
"7043936","29.3668","0.0008","29.3668","0.0008","11.784","0.0005","90","","90","","90","","10162.6","0.6","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C41 H66.8 Mn N3 O3.4 S Si2 -","- C41 H66.8 Mn N3 O3.4 S Si2 -","- C328 H534.4 Mn8 N24 O27.2 S8 Si16 -","8","1","","Sova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, Jurek; Bucinsky, Lukas; Breza, Martin; Darvasiova, Denisa; Rapta, P.; Cano, Joan; Telser, Joshua; Arion, Vladimir","A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D","Dalton Trans.","2017","","","","","10.1039/C7DT01809F","","x-ray","0.71073","MoKα","","0.1013","0.0683","","","0.1445","0.1671","","","","","","1.034","","","","has coordinates,has disorder","199657","2020-10-21","18:00:00",""
"7044389","13.0665","0.0006","13.0665","0.0006","6.304","0.0005","90","","90","","90","","1076.3","0.11","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba4 Ga4 S12 Sn -","- Ba4 Ga4.01 S12 Sn0.98 -","- Ba8 Ga8.02 S24 Sn1.96 -","2","0.25","","Duan, Rui-Huan Huan; Liu, Peng-Fei; Lin, Hua; Huang-Fu, Shang-Xiong; Wu, Li-Ming","Syntheses and characterization of three new sulfides with large band gaps: acentric Ba4Ga4SnS12, centric Ba12Sn4S23 and Ba7Sn3S13","Dalton Trans.","2017","","","","","10.1039/C7DT03267F","","","0.71073","MoKα","","0.0186","0.0179","","","0.0426","0.0437","","","","","","0.33","","","","has coordinates,has disorder","201576","2020-10-21","18:00:00",""
"7045976","15.8913","0.0015","15.8913","0.0015","14.8198","0.0016","90","","90","","90","","3742.5","0.6","150","","150","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H30 F12 Fe N12 O2 P2 -","- C30 H30 F12 Fe N12 O2 P2 -","- C120 H120 F48 Fe4 N48 O8 P8 -","4","0.5","","Brook, David J. R.; Fleming, Connor; Chung, Dorothy; Richardson, Cardius; Ponce, Servando; Das, Raja; Srikanth, Hariharan; Heindl, Ranko; Noll, Bruce C.","An electron transfer driven magnetic switch: ferromagnetic exchange and spin delocalization in iron verdazyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6351","6360","10.1039/c8dt00805a","","x-ray","0.7749","synchrotron","","0.0792","0.0539","","","0.1403","0.1589","","","","","","1.1493","","","","has coordinates,has disorder","229866","2020-10-21","18:00:00",""
"7046000","13.9967","0.0004","13.9967","0.0004","14.5303","0.0006","90","","90","","90","","2846.6","0.16","100","0.01","100","0.01","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H60 Mg N2 Si4 -","- C72 H60 Mg N2 Si4 -","- C144 H120 Mg2 N4 Si8 -","2","0.25","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","1.54184","CuKα","","0.0319","0.0293","","","0.0753","0.077","","","","","","1.064","","","","has coordinates","229921","2020-10-21","18:00:00",""
"7046525","8.2509","0.0004","8.2509","0.0004","20.346","0.003","90","","90","","90","","1385.1","0.2","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 K O -","- C5 H11 K O -","- C40 H88 K8 O8 -","8","1","","Kaiser, Maximillian; Klett, Jan","The hetero-cubane structures of the heavy alkali metal tert-amyloxides [MOCMe<sub>2</sub>Et]<sub>4</sub> (M = K, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12582","12586","10.1039/c8dt01545g","","","0.71073","MoKα","","0.0228","0.0222","","","0.0568","0.0571","","","","","","1.128","","","","has coordinates","229926","2020-10-21","18:00:00",""
"7047125","15.4948","0.0005","15.4948","0.0005","18.9918","0.0008","90","","90","","90","","4559.7","0.3","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C40 H32 N2 O6 P2 Pd S2 -","- C40 H32 N2 O6 P2 Pd S2 -","- C160 H128 N8 O24 P8 Pd4 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.0766","0.0457","","","0.0972","0.1092","","","","","","0.965","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047127","15.742","0.0008","15.742","0.0008","19.1532","0.0009","90","","90","","90","","4746.4","0.4","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C40 H32 N2 O6 P2 Pt S2 -","- C40 H32 N2 O6 P2 Pt S2 -","- C160 H128 N8 O24 P8 Pt4 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.1055","0.0555","","","0.1328","0.1545","","","","","","1.026","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7049442","21.1528","0.0007","21.1528","0.0007","15.1147","0.0006","90","","90","","90","","6762.9","0.4","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C152 H132 N16 O12 P4 Zn4 -","- C152 H132 N16 O12 P4 Zn4 -","- C304 H264 N32 O24 P8 Zn8 -","2","0.25","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.0631","0.0391","","","0.0608","0.0632","","","","","","0.972","","","","has coordinates","224192","2020-10-21","18:00:00",""
"7049445","20.973","0.004","20.973","0.004","15.568","0.004","90","","90","","90","","6848","3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C152 H140 N16 O20 P4 Zn4 -","- C152 H140 N16 O20 P4 Zn4 -","- C304 H280 N32 O40 P8 Zn8 -","2","0.25","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.1645","0.0872","","","0.202","0.2377","","","","","","1.088","","","","has coordinates","224192","2020-10-21","18:00:00",""
"7050621","12.5263","0.0006","12.5263","0.0006","21.7284","0.0016","90","","90","","90","","3409.4","0.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C17 H27 B N2 O2 -","- C17 H27 B N2 O2 -","- C136 H216 B8 N16 O16 -","8","1","","Irving, Alison M.; Vogels, Christopher M.; Nikolcheva, Liliya G.; Edwards, Janet P.; He, Xiao-Feng; Hamilton, Michael G.; Baerlocher, Mark O.; Baerlocher, Felix J.; Decken, Andreas; Westcott, Stephen A.","Synthesis and antifungal and antibacterial bioactivity of cyclic diamines containing boronate esters","New Journal of Chemistry","2003","27","10","1419","","10.1039/b304500e","","","0.71073","MoKα","","0.0648","0.0463","","","0.1166","0.1266","","","","","","0.993","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050926","13.7728","0.0019","13.7728","0.0019","17.993","0.004","90","","90","","90","","3413.1","1","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C38 H46 Mg N4 O2 -","- C38 H46 Mg N4 O2 -","- C152 H184 Mg4 N16 O8 -","4","0.5","","Junk, Peter Courtney; Cole, Marcus L.; Evans, David J.; Louis, Lance M.","Structural and synthetic studies of magnesium and zinc tolylformamidinate complexes","New Journal of Chemistry","2002","","","","","10.1039/b204304a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051049","15.669","0.001","15.669","0.001","11.4392","0.0004","90","","90","","90","","2808.5","0.3","294","","294","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C60 H60 N4 -","- C60 H60 N4 -","- C120 H120 N8 -","2","0.25","","Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian","Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations","New J. Chem.","2001","25","2","207","209","10.1039/b008259g","","","0.71073","Mo-Kα","","0.15","0.084","","0.302","","0.119","","","2.938","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052404","11.9524","0.0008","11.9524","0.0008","7.6116","0.0004","90","","90","","90","","1087.39","0.12","293","2","293","2","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- C6 S8 -","- C6 S8 -","- C24 S32 -","4","0.5","","Beck, Johannes; Weber, Johannes; Mukhopadhyay, Atashi Basu; Dolg, Michael","Bent and planar molecules in polymorphs of the tricyclic carbon sulfide C6S8","New Journal of Chemistry","2005","29","3","465","","10.1039/b402881c","","","1.54184","CuKα","","0.0478","0.0346","","","0.0787","0.0849","","","","","","1.042","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7053711","23.2509","0.0016","23.2509","0.0016","11.492","0.0016","90","","90","","90","","6212.6","1.1","130","2","130","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C22 H53 N3 O2.5 Os P2 Si2 -","- C22 H53 N3 O2.5 Os P2 Si2 -","- C176 H424 N24 O20 Os8 P16 Si16 -","8","1","","Lee, Joo-Ho; Fan, Hongjun; Pink, Maren; Caulton, Kenneth G.","Reactivity of ?NO with an osmium polyhydride: Reductive elimination and reductive nitrosylation on the path from odd- to even-electron molecules","New Journal of Chemistry","2007","31","6","838","","10.1039/b702078c","","","0.71073","MoKα","","0.0331","0.0252","","","0.0593","0.0631","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7057234","29.3188","0.0009","29.3188","0.0009","8.8681","0.0003","90","","90","","90","","7622.9","0.4","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C39 H29 N5 O3 -","- C39 H29 N5 O3 -","- C312 H232 N40 O24 -","8","1","","Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais","Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates","New Journal of Chemistry","2018","42","9","6997","","10.1039/C8NJ00335A","","","0.71073","MoKα","","0.1626","0.0576","","","0.1353","0.168","","","","","","1.01","","","","has coordinates","230450","2020-10-21","18:00:00",""
"7060769","8.1674","0.0007","8.1674","0.0007","7.2665","0.0013","90","","90","","90","","484.72","0.1","273","2","273","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na4 Se4 Sn -","- Na4 Se4 Sn -","- Na8 Se8 Sn2 -","2","0.25","","Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors","New Journal of Chemistry","2021","45","28","12362","12366","10.1039/D1NJ02565A","","","0.71073","MoKα","","0.0225","0.0202","","","0.0414","0.0419","","","","","","0.933","","","","has coordinates","268839","2021-09-06","11:58:15",""
"7060770","7.8419","0.0006","7.8419","0.0006","6.9522","0.0009","90","","90","","90","","427.53","0.07","298","2","298","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na4 S4 Sn -","- Na4 S4 Sn -","- Na8 S8 Sn2 -","2","0.25","","Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors","New Journal of Chemistry","2021","45","28","12362","12366","10.1039/D1NJ02565A","","","0.71073","MoKα","","0.0127","0.0117","","","0.0214","0.0216","","","","","","1.051","","","","has coordinates","268839","2021-09-06","11:58:25",""
"7061729","15.2751","0.0013","15.2751","0.0013","13.9765","0.0012","90","","90","","90","","3261.1","0.5","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C32 H30 N6 O9 S2 -","- C32 H30 N6 O9 S2 -","- C128 H120 N24 O36 S8 -","4","0.5","","Saikia, B. Shriya; Borpatra, Paran J.; Rahman, Iftakur; Deb, Mohit L.; Baruah, Pranjal K.","Visible-light-promoted sulfenylation of 6-aminouracils under catalyst-free conditions","New Journal of Chemistry","2022","46","34","16523","16529","10.1039/D2NJ01941H","","","0.71073","MoKα","","0.0486","0.0407","","","0.1019","0.1134","","","","","","1.103","","","","has coordinates","277677","2022-09-06","10:13:59",""
"7062112","30.232","0.004","30.232","0.004","30.935","0.006","90","","90","","90","","28274","8","223","2","223","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C84 H170 Br6 F18 N12 Ni3 O40 Si6 -","- C84 H90 Br6.02 F18 N12 Ni3 O6 Si6 -","- C672 H720 Br48.16 F144 N96 Ni24 O48 Si48 -","8","1","","Gwak, Geonwoo; An, Seonghyeon; Kim, Dongwon; Di Serio, Martino; Jung, Ok-Sang","Water-reservoir properties dependent on packing modes of [Ni(ii)3L6] cages","New Journal of Chemistry","2022","46","48","23239","23244","10.1039/D2NJ04751A","","","0.76","synchrotron","","0.1134","0.067","","","0.1819","0.2112","","","","","","0.95","","","","has coordinates","280210","2023-01-06","09:56:35",""
"7062113","31.291","0.004","31.291","0.004","31.796","0.006","90","","90","","90","","31132","8","223","2","223","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C102 H220 Br6 N12 Ni3 O44 Si6 -","- C102 H132 Br5.973 N12 Ni3 O6 Si6 -","- C816 H1056 Br47.784 N96 Ni24 O48 Si48 -","8","1","","Gwak, Geonwoo; An, Seonghyeon; Kim, Dongwon; Di Serio, Martino; Jung, Ok-Sang","Water-reservoir properties dependent on packing modes of [Ni(ii)3L6] cages","New Journal of Chemistry","2022","46","48","23239","23244","10.1039/D2NJ04751A","","","0.78","synchrotron","","0.0879","0.0584","","","0.1672","0.1861","","","","","","0.996","","","","has coordinates","280210","2023-01-06","09:56:35",""
"7063340","15.4579","0.0007","15.4579","0.0007","17.5114","0.0015","90","","90","","90","","4184.3","0.4","150","2","150","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C15 H27 Cl0.08 Co F6 I0.92 N4 P -","- C15 H27 Cl0.078 Co F6 I0.922 N4 P -","- C120 H216 Cl0.624 Co8 F48 I7.376 N32 P8 -","8","1","","Rodriguez Segura, Leobardo; Ren, Tong","Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes","New Journal of Chemistry","2024","48","29","13030","13037","10.1039/D4NJ02364A","","","0.71073","MoKα","","0.0336","0.0261","","","0.052","0.0545","","","","","","1.134","","","","has coordinates,has disorder","293885","2024-08-05","19:43:45",""
"7101684","9.7615","0.0001","9.7615","0.0001","17.2273","0.0003","90","","90","","90","","1641.54","0.04","300","2","300","2","","","","","","","","7","P -4 21 c","P -4 2n","114","Bis(2,6-di(4-bromopyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(4-bromopyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H14 B2 Br4 F8 Fe N10 -","- C22 H14 B2 Br4 F8 Fe N10 -","- C44 H28 B4 Br8 F16 Fe2 N20 -","2","0.25","","Pritchard, Ruth; Kilner, Colin A; Halcrow, Malcolm A","Iron(II) complexes with a terpyridine embrace packing motif show remarkably consistent cooperative spin-transitions.","Chemical communications (Cambridge, England)","2007","","6","577","579","10.1039/b613402e","","","0.71073","MoKα","","0.0423","0.036","","","0.0878","0.0916","","","","","","1.065","","","","has coordinates,has disorder","180118","2020-10-21","18:00:00",""
"7101685","9.5613","0.0001","9.5613","0.0001","17.3177","0.0003","90","","90","","90","","1583.16","0.04","300","2","300","2","","","","","","","","7","P -4 21 c","P -4 2n","114","Bis(2,6-di(4-chloropyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(4-chloropyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H14 B2 Cl4 F8 Fe N10 -","- C22 H14 B2 Cl4 F8 Fe N10 -","- C44 H28 B4 Cl8 F16 Fe2 N20 -","2","0.25","","Pritchard, Ruth; Kilner, Colin A; Halcrow, Malcolm A","Iron(II) complexes with a terpyridine embrace packing motif show remarkably consistent cooperative spin-transitions.","Chemical communications (Cambridge, England)","2007","","6","577","579","10.1039/b613402e","","","0.71073","MoKα","","0.0457","0.0424","","","0.1166","0.1209","","","","","","1.079","","","","has coordinates,has disorder","180118","2020-10-21","18:00:00",""
"7101686","9.541","0.0003","9.541","0.0003","17.1024","0.0006","90","","90","","90","","1556.84","0.09","220","2","220","2","","","","","","","","7","P -4 21 c","P -4 2n","114","Bis(2,6-di(4-chloropyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(4-chloropyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H14 B2 Cl4 F8 Fe N10 -","- C22 H14 B2 Cl4 F8 Fe N10 -","- C44 H28 B4 Cl8 F16 Fe2 N20 -","2","0.25","","Pritchard, Ruth; Kilner, Colin A; Halcrow, Malcolm A","Iron(II) complexes with a terpyridine embrace packing motif show remarkably consistent cooperative spin-transitions.","Chemical communications (Cambridge, England)","2007","","6","577","579","10.1039/b613402e","","","0.71073","MoKα","","0.0691","0.0574","","","0.1545","0.1612","","","","","","1.187","","","","has coordinates,has disorder","180118","2020-10-21","18:00:00",""
"7102511","23.287","0.003","23.287","0.003","24.155","0.004","90","","90","","90","","13098","3","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C45 H90 Cl3 Co3 S3 Si3 -","- C45.06 H90.06 Cl3 Co3 S3 Si3 -","- C360.48 H720.48 Cl24 Co24 S24 Si24 -","8","1","","Sydora, Orson L; Wolczanski, Peter T; Lobkovsky, Emil B; Rumberger, Evan; Hendrickson, David N","First row wheels, [((t)Bu(3)SiS)MX](12)(M = Co, X = Cl; M = Ni, X = Br), are common amongst both simpler and more complex aggregates.","Chemical communications (Cambridge, England)","2004","","6","650","651","10.1039/b311212h","","","0.71073","MoKα","","0.0717","0.0533","","","0.1254","0.1337","","","","","","1.013","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102680","17.4146","0.0006","17.4146","0.0006","8.2655","0.0006","90","","90","","90","","2506.7","0.2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C52 H52 Ag2 N12 O8 S -","- C52 H52 Ag2 N12 O8 S -","- C104 H104 Ag4 N24 O16 S2 -","2","0.25","","Turner, David R; Spencer, Elinor C; Howard, Judith A K; Tocher, Derek A; Steed, Jonathan W","A modular, self-assembled, separated ion pair binding system.","Chemical communications (Cambridge, England)","2004","","12","1352","1353","10.1039/b402882a","","","0.71073","MoKα","","0.0329","0.0307","","","0.0749","0.0761","","","","","","1.067","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7104726","11.5563","0.0003","11.5563","0.0003","9.7046","0.0004","90","","90","","90","","1296.03","0.07","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C22 H44 Li4 N8 -","- C22 H44 Li4 N8 -","- C44 H88 Li8 N16 -","2","0.25","","Kamps, Ina; Mix, Andreas; Berger, Raphael J F; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W","Two diamino-substituted lithiocarbanions in one molecule.","Chemical communications (Cambridge, England)","2009","34","37","5558","5560","10.1039/b909561f","","","0.71073","MoKα","","0.0364","0.032","","","0.0813","0.0842","","","","","","1.057","","","","has coordinates","180150","2020-10-21","18:00:00",""
"7105363","23.9934","0.001","23.9934","0.001","6.8262","0.0003","90","","90","","90","","3929.7","0.3","150","","150","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C200 H192 N16 O8 -","8","1","","Michon, Christophe; Sharma, Ankit; Bernardinelli, Gérard; Francotte, Eric; Lacour, Jérôme","Stereoselective synthesis of configurationally stable functionalized ethano-bridged Tröger bases.","Chemical communications (Cambridge, England)","2010","46","13","2206","2208","10.1039/b925065d","","","0.71073","MoKα","","","0.034","","","","0.023","","","","","","1.05","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105396","13.967","0.003","13.967","0.003","11.064","0.002","90","","90","","90","","2158.3","0.8","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C40 H36 Fe4 S6 Sn4 -","- C40 H36 Fe4 S6 Sn4 -","- C80 H72 Fe8 S12 Sn8 -","2","0.25","","Pöhlker, Christopher; Schellenberg, Inga; Pöttgen, Rainer; Dehnen, Stefanie","Synthesis and reactivity of ferrocenyl functionalized Sn/S cages","Chemical Communications","2010","46","15","2605","","10.1039/b923871a","","","0.71073","MoKα","","0.0162","0.0157","","","0.0429","0.0431","","","","","","1.002","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7106041","23.4566","0.001","23.4566","0.001","9.1255","0.0008","90","","90","","90","","5021","0.5","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H24 N3 Os -","- C33 H24 N3 Os -","- C264 H192 N24 Os8 -","8","1","","Ricardo Ceron-Camacho; Simon Hernandez; Ronan Le Lagadec; Alexander D. Ryabov","Cyclometalated [Os(C~N)x(N~N)3-x]^m+^ Mimetics of Tris(2,2'-bipyridine)osmium(II): Covering a 2 V Potencial Range by knwon (x = 0,1) and new (x = 3) species (C~N = o-2-phenylpiriinato)","Chem.Commun.","2011","47","","2823","","10.1039/c0cc04582a","","","0.71073","MoKα","","0.0296","0.0242","","","0.0421","0.0431","","","","","","0.919","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106096","16.646","0.0018","16.646","0.0018","12.909","0.002","90","","90","","90","","3576.9","0.8","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C76 H88 Al4 N8 -","- C76 H88 Al4 N8 -","- C152 H176 Al8 N16 -","2","0.25","","Ernesto Rufino-Felipe; Miguel-Angel Munoz-Hernandez","Steric control of conformation in self-assembly metallacalix[4]arenes derived from AlMe3 or GaMe3 with benzimidazolyl ligands","Chem.Commun.","2011","47","","3210","","10.1039/c0cc05438k","","","0.71073","MoKα","","0.0441","0.039","","","0.093","0.0963","","","","","","1.061","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106097","16.8104","0.0015","16.8104","0.0015","13.0585","0.0016","90","","90","","90","","3690.2","0.6","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C76 H88 Ga4 N8 -","- C76 H88 Ga4 N8 -","- C152 H176 Ga8 N16 -","2","0.25","","Ernesto Rufino-Felipe; Miguel-Angel Munoz-Hernandez","Steric control of conformation in self-assembly metallacalix[4]arenes derived from AlMe3 or GaMe3 with benzimidazolyl ligands","Chem.Commun.","2011","47","","3210","","10.1039/c0cc05438k","","","0.71073","MoKα","","0.0244","0.0228","","","0.0563","0.0567","","","","","","1.045","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7107486","16.98","0.001","16.98","0.001","19.74","0.001","90","","90","","90","","5691.4","0.6","150","0.1","150","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C58 H56 Fe2 O2 P4 S4 -","- C50 H40 Fe2 P4 S4 -","- C200 H160 Fe8 P16 S16 -","4","0.5","","Marie Fustier-Boutignon; Hadrien Heuclin; Xavier Frederic Le Goff; Nicolas Mezailles","Transmetalation of Nucleophilic Carbene Fragment: from Early to Late Transition Metals","Chem.Commun.","2012","48","","3306","3308","10.1039/c2cc17934b","","","0.71069","MoKα","","0.0533","0.0466","","","0.1144","0.1184","","","","","","1.093","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107813","37.905","0.003","37.905","0.003","35.309","0.003","90","","90","","90","","50732","7","296","2","296","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C134 H329 Ag34 F6 N O45 S26 W6 -","- C106 H234 Ag34 F3 O23 S26 W6 -","- C848 H1872 Ag272 F24 O184 S208 W48 -","8","1","","Kun Zhou; Chao Qin; Hai-Bin Li; Li-Kai Yan; Xin-Long Wang; Guo-Gang Shan; Zhong-Min Su; Chuang Xu; Xiu-Li Wang","Assembly of a luminescent core-shell nanocluster featuring a Ag34S26 shell and a W6O21^6-^ polyoxoanion core","Chem.Commun.","2012","48","","5844","","10.1039/c2cc32321d","","","0.71073","MoKα","","0.1954","0.0649","","","0.1394","0.1984","","","","","","1","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7108269","9.88","0.002","9.88","0.002","13.333","0.003","90","","90","","90","","1301.5","0.5","200","2","200","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C9 H44 Co10 N10 O40 P10 -","- C9.08 H44.48 Co10 N10.08 O40 P10 -","- C9.08 H44.48 Co10 N10.08 O40 P10 -","1","0.125","","Bryan Yonemoto; Zhuo-jia Lin; Feng Jiao","A general synthetic method for MPO4 (M = Co, Fe, Mn) frameworks using deep-eutectic solvents","Chem.Commun.","2012","48","","9132","","10.1039/c2cc34020h","","","0.71073","MoKα","","0.0377","0.0376","","","0.1069","0.107","","","","","","1.09","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108987","25.7826","0.0005","25.7826","0.0005","25.6888","0.0007","90","","90","","90","","17076.4","0.7","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C192 H240 N24 O24 -","- C192 H240 N24 O24 -","- C384 H480 N48 O48 -","2","0.25","","Pawel Skowronek; Beata Warzajtis; Urszula Rychlewska; Jacek Gawronski","Self-assembly of a covalent organic cage with exceptionally large and symmetrical interior cavity: the role of entropy of symmetry","Chem.Commun.","2013","49","","2524","","10.1039/c3cc39098e","","","1.54178","CuKα","","0.0926","0.076","","","0.2269","0.2396","","","","","","1.022","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7109460","15.2646","0.0003","15.2646","0.0003","22.1864","0.0008","90","","90","","90","","5169.6","0.2","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C52 H73 Na O8 Th2 -","- C52 H73 Na O8 Th2 -","- C208 H292 Na4 O32 Th8 -","4","0.5","","Alexandre Herve; Nicolas Garin; Pierre Thuery; Michel Ephritikhine; Jean-Claude Berthet","Bent thorocene complexes with the cyanide, azide and hydride ligands","Chem.Commun.","2013","49","","6304","","10.1039/c3cc42763c","","","0.71073","MoKα","","0.0499","0.0314","","","0.0583","0.0613","","","","","","1.003","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7110366","13.3185","0.0005","13.3185","0.0005","19.455","0.001","90","","90","","90","","3451","0.3","200","","","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C30 H32 Fe N12 Na O3 -","- C30 H32 Fe N12 Na O3 -","- C120 H128 Fe4 N48 Na4 O12 -","4","0.5","","Carina, Riccardo F.; Verzegnassi, Ludovica; Williams, Alan F.; Bernardinelli, Gérald","Modulation of iron reduction potential by deprotonation at a remote site","Chemical Communications","1998","","24","2681","","10.1039/a807321j","","","1.54183","X-raytubeCuKα","","","0.051","","","","0.046","","","","","","1.615","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110947","26.435","0.006","26.435","0.006","7.584","0.002","90","","90","","90","","5300","2","220","2","220","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C16 H16 Er N6 O13 -","- C16 H12 Er N6 O13 -","- C128 H96 Er8 N48 O104 -","8","1","","Long, De-Liang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin","Lanthanide co-ordination frameworks of 4,4′-bipyridine-N,N′-dioxide","Chemical Communications","2000","","15","1369","","10.1039/b002363i","","","0.71073","MoKα","","0.097","0.076","","","0.164","0.179","","","","","","1.1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111669","32.509","0.003","32.509","0.003","12.3994","0.0015","90","","90","","90","","13104","2","120","2","120","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","3,7-Bis(9,9-dihexylfluorene-2-yl)-2,8-di(cyclohexylmethoxy)dibenzothiophene-S,S-dioxide","","- C76 H96 O4 S -","- C76 H96 O4 S -","- C608 H768 O32 S8 -","8","1","","Li, Haiying; Batsanov, Andrei S.; Moss, Kathryn C.; Vaughan, Helen L.; Dias, Fernando B.; Kamtekar, Kiran T.; Bryce, Martin R.; Monkman, Andrew P.","The interplay of conformation and photophysical properties in deep-blue fluorescent oligomers","Chemical Communications","2010","46","26","4812","4814","10.1039/c0cc00211a","","","0.71073","MOKα","","0.1143","0.0615","","","0.1388","0.1603","","","","","","0.936","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7112782","15.8","0.006","15.8","0.006","15.227","0.006","90","","90","","90","","3801","3","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H30 F12 N12 Ni O2 P2 -","- C30 H30 F12 N12 Ni O2 P2 -","- C120 H120 F48 N48 Ni4 O8 P8 -","4","0.5","","Brook, David J. R.; Richardson, Cardius J.; Haller, Benjamin C.; Hundley, Michael; Yee, Gordon T.","Strong ferromagnetic metal-ligand exchange in a nickel bis(3,5-dipyridylverdazyl) complex.","Chemical communications (Cambridge, England)","2010","46","35","6590","6592","10.1039/c0cc02233k","","x-ray","0.71073","MoKα","","0.0545","0.046","","","0.1151","0.1246","","","","","","1.011","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7113339","15.6498","0.0009","15.6498","0.0009","16.1138","0.0009","90","","90","","90","","3946.5","0.4","295","2","295","2","","","","","","","Synthesis","3","P -4 21 c","P -4 2n","114","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","","Briceño, Alexander; Leal, Dayana; Atencio, Reinaldo; Díaz de Delgado, Graciela","Supramolecular isomerism in multivalent metal-templated assemblies with topochemical influence in the regioselective synthesis of tetrakis(2-pyridyl)cyclobutane isomers.","Chemical communications (Cambridge, England)","2006","","33","3534","3536","10.1039/b606673a","","","0.7107","MoKα","","0.0872","0.0594","","","0.1301","0.145","","","","","","1.11","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7115031","11.8339","0.0009","11.8339","0.0009","14.9028","0.0016","90","","90","","90","","2087","0.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C48 H40 N4 O16 S4 -","- C48 H40 N4 O16 S4 -","- C96 H80 N8 O32 S8 -","2","0.25","","Barbour, Leonard J.; Atwood, Jerry L.","Non-covalent interactions exert extraordinary influence over conformation and properties of a well-known supramolecular building block","Chemical Communications","2001","","19","2020","","10.1039/b105182m","","","0.71073","MoKα","","0.048","0.0437","","","0.1128","0.1153","","","","","","1.077","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7118787","17.367","0.003","17.367","0.003","13.73","0.003","90","","90","","90","","4141.1","1.4","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H86 N12 O17 Ti4 -","- C68 H28 N12 O17 Ti4 -","- C136 H56 N24 O34 Ti8 -","2","0.25","","Su, Hu-Chao; Wu, Yin-Yin; Hou, Jin-Le; Zhang, Guang-Ling; Zhu, Qin-Yu; Dai, Jie","Dye molecule bonded titanium alkoxide: a possible new type of dye for sensitized solar cells.","Chemical communications (Cambridge, England)","2016","52","21","4072","4075","10.1039/c6cc00551a","","","0.71073","MoKα","","0.094","0.0807","","","0.1827","0.1887","","","","","","1.141","","","","has coordinates,has disorder","177684","2020-10-21","18:00:00",""
"7120291","12.4267","0.0001","12.4267","0.0001","27.1577","0.0003","90","","90","","90","","4193.77","0.07","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C52 H32 N20 O17 Zn6 -","- C52 H32 N20 O17 Zn6 -","- C104 H64 N40 O34 Zn12 -","2","0.25","","Cai, Hong; Xu, Lili; Lai, Heyun; Liu, Jing-Yi; Ng, Seik Weng; Li, Dan","A highly emissive and stable Zinc(II) metal-organic framework as a host-guest chemopalette for approaching white-light-emission","Chem. Commun.","2017","","","","","10.1039/C7CC03350H","","","1.54184","CuKα","","0.1018","0.0999","","","0.3191","0.3269","","","","","","1.64","","","","has coordinates,has disorder","197947","2020-10-21","18:00:00",""
"7123796","19.216","0.0004","19.216","0.0004","8.974","0.0002","90","","90","","90","","3313.69","0.12","296","2","296","2","","","","","","","","3","P -4 21 c","P -4 2n","114","2-(p-tolyl)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyl)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.039","0.0343","","","0.0849","0.0889","","","","","","1.026","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7124522","18.88272","0.00018","18.88272","0.00018","16.61907","0.00016","90","","90","","90","","5925.65","0.1","100","","100","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C58 H97 B Ca2 N6 O2 -","- C58 H97 B Ca2 N6 O2 -","- C232 H388 B4 Ca8 N24 O8 -","4","0.5","","Okuda, Jun; Schuhknecht, Danny; Spaniol, Thomas Paul; Laurent, Maron; Douair, Iskander","A Tetranuclear Calcium Hydride Cluster with a Highly Symmetric [Ca4H6]2+ Core","Chemical Communications","2019","","","","","10.1039/C9CC08540H","","x-ray","1.54178","CuKα","","0.0527","0.0511","","","0.1394","0.1419","","","","","","1.043","","","","has coordinates,has disorder","231064","2020-10-21","18:00:00",""
"7124907","21.1923","0.0012","21.1923","0.0012","18.9615","0.0015","90","","90","","90","","8515.9","1","123","2","123","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C47 H59 N O3 Si Zn -","- C47 H59 N O3 Si Zn -","- C376 H472 N8 O24 Si8 Zn8 -","8","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.0908","0.0543","","","0.1238","0.1477","","","","","","1.027","","","","has coordinates","234338","2020-10-21","18:00:00",""
"7124984","17.707","0.003","17.707","0.003","7.3732","0.001","90","","90","","90","","2311.8","0.6","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C12.2 H11.5 N2.7 O5.4 -","- C8 H8 N2 O4 -","- C64 H64 N16 O32 -","8","1","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.6889","Synchrotron","","0.079","0.0749","","","0.1999","0.2027","","","","","","1.03","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7126279","15.7805","0.0004","15.7805","0.0004","15.4465","0.0014","90","","90","","90","","3846.6","0.4","150","","150","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H30 Co F12 N12 O2 P2 -","- C30 H30 Co F12 N12 O2 P2 -","- C120 H120 Co4 F48 N48 O8 P8 -","4","0.5","","Fleming, Connor; Chung, Dorothy; Ponce, Servando; Brook, David J. R.; DaRos, Jeffrey; Das, Raja; Ozarowski, Andrew; Stoian, Sebastian A.","Valence tautomerism in a cobalt-verdazyl coordination compound.","Chemical communications (Cambridge, England)","2020","56","32","4400","4403","10.1039/d0cc01770a","","","1.0333","synchrotron","","0.0504","0.0464","","","0.1285","0.1324","","","","","","1.051","","","","has coordinates,has disorder","251551","2020-10-21","18:00:00",""
"7127546","10.305","0.0002","10.305","0.0002","19.6103","0.0006","90","","90","","90","","2082.48","0.09","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","0.5","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.0817","0.0793","","","0.2009","0.2036","","","","","","1.104","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7129025","21.3009","0.0005","21.3009","0.0005","7.7405","0.0003","90","","90","","90","","3512.08","0.18","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C23 H19 N O -","- C23 H19 N O -","- C184 H152 N8 O8 -","8","1","","Wei, Hao-Zhao; Wei, Yin; Shi, Min","Construction of an isoquinolinone framework from carboxylic-ester-directed umpolung ring opening of methylenecyclopropanes.","Chemical communications (Cambridge, England)","2021","57","85","11201","11204","10.1039/d1cc04826k","","","0.71073","MoKα","","0.0389","0.0326","","","0.0797","0.0845","","","","","","1.052","","","","has coordinates","270385","2021-11-06","18:54:41",""
"7129739","23.0243","0.0003","23.0243","0.0003","9.2169","0.0001","90","","90","","90","","4886.05","0.1","120","2","120","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H24 Cr N3 -","- C33 H24 Cr N3 -","- C264 H192 Cr8 N24 -","8","1","","Stein, Laura; Boden, Pit; Naumann, Robert; Förster, Christoph; Niedner-Schatteburg, Gereon; Heinze, Katja","The overlooked NIR luminescence of Cr(ppy)3","Chemical Communications","2022","","","","","10.1039/D2CC00680D","","","0.71073","MoKα","","0.03","0.0263","","","0.0647","0.0652","","","","","","1.009","","","","has coordinates","273068","2022-02-21","22:54:58",""
"7132300","18.3299","0.0018","18.3299","0.0018","10.8617","0.0016","90","","90","","90","","3649.4","0.7","276","2","276","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C18 H13 N O4 S -","- C18 H13 N O4 S -","- C144 H104 N8 O32 S8 -","8","1","","Nan, Jiang; Liang, Lu","Rhodium-catalyzed divergent dehydroxylation/alkenylation of hydroxyisoindolinones with vinylene carbonate","Chemical Communications","2023","","","","","10.1039/D3CC03760F","","","0.71073","MoKα","","0.1015","0.0576","","","0.1443","0.167","","","","","","1.018","","","","has coordinates","287257","2023-11-04","22:55:45",""
"7133725","18.6377","0.0013","18.6377","0.0013","27.574","0.003","90","","90","","90","","9578.2","1.4","298","0.2","298","0.2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H28 B F2 N3 -","- C24 H28 B F2 N3 -","- C384 H448 B16 F32 N48 -","16","2","","He, Jiang; Wang, Song-Meng; Song, Xiu-Fang; Chang, Xiaoyong; Zou, Chao; Lu, Wei; Li, Kai","Tetradentate Carbene-Anilido Boron Complexes: Highly Fluorescent Dyes with Larger Stokes Shifts than BODIPY Analogues","Chemical Communications","2024","","","","","10.1039/D4CC03944K","","x-ray","1.34138","GaKα","","0.0414","0.0348","","","0.0938","0.0988","","","","","","1.022","","","","has coordinates","294758","2024-09-14","21:56:57",""
"7150647","30.277","0.004","30.277","0.004","25.361","0.005","90","","90","","90","","23248","6","293","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C46.2 H51.2 Cl3.6 N6 -","- C45 H26 N6 -","- C900 H520 N120 -","20","2.5","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.2136","0.1808","","","0.4508","0.4742","","","","","","1.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7159339","22.4516","0.0005","22.4516","0.0005","7.6085","0.0002","90","","90","","90","","3835.25","0.16","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","hd_fjy21","","","- C25 H19 Cl O2 -","- C25 H19 Cl O2 -","- C200 H152 Cl8 O16 -","8","1","","Deng, Yi-Hang; Zhang, Chuan-Bao; Sun, Jun-Jie; Xu, Wen-Li; Fu, Ji-Ya","A regioselective [3 + 2] cycloaddition reaction of 2-benzylidene-1-indenones with functional olefins to access indanone-fused 2D/3D skeletons.","Organic & biomolecular chemistry","2023","21","21","4388","4392","10.1039/d3ob00559c","","","1.54178","CuKα","","0.0773","0.0466","","","0.079","0.088","","","","","","1.047","","","","has coordinates","284332","2023-06-05","04:57:28",""
"7159730","23.6044","0.0008","23.6044","0.0008","8.2487","0.0005","90","","90","","90","","4595.9","0.4","93.15","","93.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C256 H176 N16 O8 -","8","1","","Nakayama, Taku; Fujiki, Sayaka; Enda, Tomokatsu; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","A sequential reaction of picolinamide with benzaldehydes promoted by Pd(TFA)<sub>2</sub>: rapid access to 4,5-disubstituted 2-(pyridin-2-yl)oxazoles in <i>n</i>-octane.","Organic & biomolecular chemistry","2024","22","4","759","766","10.1039/d3ob01815f","","x-ray","0.71073","MoKα","","0.0973","0.0589","","","0.109","0.1203","","","","","","1.036","","","","has coordinates","289627","2024-02-04","12:29:28",""
"7201767","19.9387","0.0006","19.9387","0.0006","6.7572","0.0003","90","","90","","90","","2686.34","0.17","93","2","93","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C44 H20 F24 I4 N8 O8 -","- C44 H20 F24 I4 N8 O8 -","- C88 H40 F48 I8 N16 O16 -","2","0.25","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0463","0.0374","","","0.098","0.1057","","","","","","1.079","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7202446","16.0901","0.0015","16.0901","0.0015","6.7807","0.0009","90","","90","","90","","1755.5","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C7 H5 Cd K N2 O4 -","- C7 H5 Cd K N2 O4 -","- C56 H40 Cd8 K8 N16 O32 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0453","0.0351","","","0.0647","0.0683","","","","","","0.977","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202614","15.748","0.003","15.748","0.003","12.706","0.003","90","","90","","90","","3151.1","1.1","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Cl2 N2 O2 Zn -","- C36 H30 Cl2 N2 O2 Zn -","- C144 H120 Cl8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1184","0.0518","","","0.1017","0.1235","","","","","","0.862","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202615","15.94","0.001","15.94","0.001","12.604","0.008","90","","90","","90","","3202","2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Br2 N2 O2 Zn -","- C36 H30 Br2 N2 O2 Zn -","- C144 H120 Br8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.0237","0.0194","","","0.0404","0.0415","","","","","","0.924","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202797","16.221","0.002","16.221","0.002","6.7461","0.0012","90","","90","","90","","1775","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C16 H22 Cl2 N2 O2 -","- C16 H22 Cl2 N2 O2 -","- C64 H88 Cl8 N8 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.1268","0.0739","","","0.1799","0.2093","","","","","","1.004","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7204391","12.111","0.0009","12.111","0.0009","6.543","0.0004","90","","90","","90","","959.7","0.12","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Pb","Ph4Pb","","- C6 H5 Pb0.25 -","- C6 H5 Pb0.25 -","- C48 H40 Pb2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0559","0.0487","","","0.1319","0.1496","","","","","","1.103","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204392","12.068","0.0004","12.068","0.0004","6.557","0.0003","90","","90","","90","","954.94","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Sn","Ph4Sn","","- C24 H20 Sn -","- C24 H20 Sn -","- C48 H40 Sn2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0338","0.0238","","","0.0594","0.0671","","","","","","1.132","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204393","11.616","0.0005","11.616","","6.902","0.0003","90","","90","","90","","931.3","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Ge","Ph4Ge","","- C24 H20 Ge -","- C24 H20 Ge -","- C48 H40 Ge2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0345","0.0258","","","0.0626","0.0667","","","","","","1.039","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204394","11.4476","0.0009","11.4476","0.0009","7.0644","0.0006","90","","90","","90","","925.77","0.13","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Si","Ph4Si","","- C6 H5 Si0.25 -","- C6 H5 Si0.25 -","- C48 H40 Si2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0456","0.0348","","","0.0745","0.0824","","","","","","1.033","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204395","10.905","0.001","10.905","0.001","7.285","0.0005","90","","90","","90","","866.33","0.13","293","2","293","2","","","","","","","","2","P -4 21 c","P -4 2n","114","Ph4C","Ph4C","","- C6.25 H5 -","- C6.25 H5 -","- C50 H40 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.065","0.0388","","","0.0816","0.0946","","","","","","1.066","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7206161","8.7411","0.001","8.7411","0.001","4.474","0.0009","90","","90","","90","","341.84","0.09","148","2","148","2","","","","","","","","3","P -4 21 c","P -4 2n","114","formaldehyde","formaldehyde","","- C H2 O -","- C H2 O -","- C8 H16 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0338","0.0252","","","0.0599","0.062","","","","","","0.953","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206727","17.1789","0.0016","17.1789","0.0016","11.4979","0.001","90","","90","","90","","3393.2","0.5","297","2","297","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","potassium triphenylcyanoborate","","- C19 H16 B K N O0.5 -","- C19 H16 B K N O0.5 -","- C152 H128 B8 K8 N8 O4 -","8","1","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0375","0.031","","","0.0733","0.0767","","","","","","1.033","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206980","20.19","0.003","20.19","0.003","6.4628","0.0013","90","","90","","90","","2634.5","0.8","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C72 H88 Cu8 I16 N16 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0529","0.0509","","","0.1193","0.1208","","","","","","1.036","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7210163","16.2454","0.0005","16.2454","0.0005","26.0964","0.0009","90","","90","","90","","6887.2","0.4","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C148 H108 Dy8 N12 O44 Si -","- C148 H108 Dy8 N12 O44 Si -","- C296 H216 Dy16 N24 O88 Si2 -","2","0.25","","She, Shi-Xiong; Zaworotko, Michael J.; Liu, Wei; Zhang, Zhu-Xiu; Li, Yahong","A unique μ8-silicate-bridged octametallic [Dy8SiO4] complex exhibiting slow magnetic relaxation","CrystEngComm","2013","15","25","5003","","10.1039/c3ce40295a","","","1.54178","CuKα","","0.0646","0.0457","","","0.1002","0.1098","","","","","","1.072","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210620","13.4896","0.0014","13.4896","0.0014","6.7343","0.0018","90","","90","","90","","1225.4","0.4","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 P S4 -","- C28 H16 F6 P S4 -","- C56 H32 F12 P2 S8 -","2","0.25","","Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko","A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.","Physical chemistry chemical physics : PCCP","2013","15","41","17818","17822","10.1039/c3cp52881b","","","0.71069","MoKα","","","0.0392","","","","0.1368","","","","","","0.854","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210621","13.407","0.005","13.407","0.005","6.638","0.006","90","","90","","90","","1193.2","1.2","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 P S4 -","- C28 H16 F6 P S4 -","- C56 H32 F12 P2 S8 -","2","0.25","","Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko","A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.","Physical chemistry chemical physics : PCCP","2013","15","41","17818","17822","10.1039/c3cp52881b","","","0.71069","MoKα","","","0.0438","","","","0.1291","","","","","","0.951","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7211217","20.064","0.003","20.064","0.003","13.088","0.003","90","","90","","90","","5268.8","1.6","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C100 H80 B4 F16 Fe4 N26 O9 -","- C100 H72 B4 F16 Fe4 N26 O9 -","- C200 H144 B8 F32 Fe8 N52 O18 -","2","0.25","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1164","0.089","","","0.2141","0.2278","","","","","","1.082","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7212641","8.94","0.0013","8.94","0.0013","20.236","0.004","90","","90","","90","","1617.3","0.5","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H20 Cl2 Co F12 N6 P2 -","- C30 H20 Cl2 Co F12 N6 P2 -","- C60 H40 Cl4 Co2 F24 N12 P4 -","2","0.25","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0335","0.0319","","","0.0806","0.0823","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212834","18.9037","0.0001","18.9037","0.0001","11.8392","0.0006","90","","90","","90","","4230.7","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C48 H36 I2 N4 O2 Zn -","- C48 H36 I2 N4 O2 Zn -","- C192 H144 I8 N16 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.053","0.0326","","","0.0617","0.0684","","","","","","1.042","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7213035","19.028","0.004","19.028","0.004","7.014","0.003","90","","90","","90","","2539.5","1.3","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C96 H88 N40 O8 -","8","1","","Booth, Brian L.; Costa, Flora A. T.; Mahmood, Zahid; Pritchard, Robin G.; Proença, M. Fernanda","Synthesis of (Z )-N-(2-amino-1,2-dicyanovinyl)formamide O-alkyloximes and a study of their cyclization in the presence of base","Journal of the Chemical Society, Perkin Transactions 1","1999","","13","1853","","10.1039/a901332f","","","0.71069","MoKα","","0.2003","0.0468","","","0.1282","0.1869","","","","","","1.007","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213906","16.842","0.0002","16.842","0.0002","7.249","0.0002","90","","90","","90","","2056.2","0.07","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C2 H15 N6 O5 P -","- C2 H15 N6 O5 P -","- C16 H120 N48 O40 P8 -","8","1","","Liu, Xitao; Wang, Xinqiang; Yin, Xin; Liu, Shande; He, Wen; Zhu, Luyi; Zhang, Guanghui; Xu, Dong","Bulk growth and physical properties of diguanidinium phosphate monohydrate (G2HP) as a multi-functional crystal","CrystEngComm","2014","16","5","930","","10.1039/c3ce41896k","","","0.71073","MoKα","","0.0423","0.0313","","","0.069","0.0752","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216294","19.075","0.0018","19.075","0.0018","8.537","0.0008","90","","90","","90","","3106.2","0.5","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H17 N O2.25 -","- C18 H17 N O2.25 -","- C144 H136 N8 O18 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0779","0.0623","","","0.1632","0.1793","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7217022","23.4276","0.0004","23.4276","0.0004","32.0967","0.0009","90","","90","","90","","17616.4","0.7","124.8","0.3","124.8","0.3","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C88 H207 As4 N13 O216 Re12 W44 -","- C88 H156 As4 N13 O216 Re12 W44 -","- C176 H312 As8 N26 O432 Re24 W88 -","2","0.25","","Zhang, Yanhui; Zhang, Dongdi; Huo, Zhiyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","A monovacant heteropolytungstate-incorporated trimeric carbonyl rhenium cluster, [(AsW11O39){Re(CO)3}3(μ3-OH)(μ2-OH)]6−: synthesis, structure and catalytic properties","RSC Advances","2014","4","55","28848","","10.1039/c4ra03532a","","","0.71073","MoKα","","0.1079","0.0665","","","0.1355","0.1572","","","","","","1.054","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217725","23.6145","0.0015","23.6145","0.0015","16.4568","0.001","90","","90","","90","","9177","1","123","2","123","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C125 H84 Cl12 F20 N12 O5 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1907","0.0769","","","0.159","0.1884","","","","","","0.853","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7218528","10.954","0.003","10.954","","19.84","0.005","90","","90","","90","","2380.6","0.9","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C14 H24 Cl4 N4 Pd2 S2 -","- C14 H24 Cl4 N4 Pd2 S2 -","- C56 H96 Cl16 N16 Pd8 S8 -","4","0.5","","Wang, Chen; Lu, Wenjuan; tong, yu; Zheng, Yan; Yang, Yanzhao","The Application of Ionic liquid-based System in the Extraction of Palladium: Synthesis, Characterization and Computer Calculation of Palladium Complexes","RSC Adv.","2014","","","","","10.1039/C4RA07563C","","","0.71","MoKα","","0.1243","0.0484","","","0.0931","0.1208","","","","","","1.016","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7219287","23.3143","0.0014","23.3143","0.0014","8.1165","0.0005","90","","90","","90","","4411.8","0.5","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Butyl-bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amine","I2-3-alkyl-EDOT","","- C18 H21 I2 N O4 S2 -","- C18 H21 I2 N O4 S2 -","- C144 H168 I16 N8 O32 S16 -","8","1","","Xia, Jiangbin; Tusy, Chuong; Peng, Kai; Huang, Lili","Effect of Flexible Linker Length in 3,4-Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C4RA14915G","","","0.71073","MoKα","","0.0344","0.0269","","","0.0644","0.068","","","","","","1.027","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219500","12.0295","0.0004","12.0295","0.0004","8.0824","0.0004","90","","90","","90","","1169.59","0.08","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0344","0.0306","","","0.0696","0.0716","","","","","","1.068","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219545","15.0933","0.0002","15.0933","0.0002","10.0587","0.0002","90","","90","","90","","2291.45","0.06","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Ba Li2 N6 O10 -","- C16 H18 Ba Li2 N6 O10 -","- C64 H72 Ba4 Li8 N24 O40 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.04","0.0252","","","0.047","0.0542","","","","","","1.008","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219546","14.7246","0.0002","14.7246","0.0002","10.2236","0.0003","90","","90","","90","","2216.62","0.08","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Li2 N6 O10 Sr -","- C16 H18 Li2 N6 O10 Sr -","- C64 H72 Li8 N24 O40 Sr4 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0531","0.057","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7223807","19.628","0.006","19.628","0.006","8.151","0.003","90","","90","","90","","3140.2","1.8","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.1354","0.0775","","","0.1824","0.2077","","","","","","1.05","","","","has coordinates","173682","2020-10-21","18:00:00",""
"7224638","6.7776","0.0003","6.7776","0.0003","8.8235","0.0005","90","","90","","90","","405.32","0.03","100","1","100","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C10 H15 F -","- C10 H15 F -","- C20 H30 F2 -","2","0.25","","Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll","Structure and reorientational dynamics of 1-F-adamantane.","Physical chemistry chemical physics : PCCP","2016","18","16","10924","10930","10.1039/c6cp01144f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","182797","2020-10-21","18:00:00",""
"7226704","11.8148","0.0003","11.8148","0.0003","20.5068","0.0008","90","","90","","90","","2862.53","0.15","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C56 H56 Cl2 Co N8 O16 -","- C56 H56 Cl2 Co N8 O16 -","- C112 H112 Cl4 Co2 N16 O32 -","2","0.25","","DALAI, SUDIPTA; Jana, Swapan Kumar; Mandal, Amit; Kumar, Anoop; Puschmann, Horst; Hossain, Maidul","Sensing of tryptophan by a non-toxic Cobalt(II) complex","RSC Adv.","2016","","","","","10.1039/C6RA16086G","","x-ray","0.71073","MoKα","","0.051","0.0419","","","0.082","0.0849","","","","","","1.091","","","","has coordinates","186899","2020-10-21","18:00:00",""
"7228686","11.6167","0.0006","11.6167","0.0006","27.984","0.0014","90","","90","","90","","3776.4","0.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H50 Co N2 O11 -","- C34 H50 Co N2 O11 -","- C136 H200 Co4 N8 O44 -","4","0.5","","Portolés-Gil, Núria; Parra-Aliana, Ricard; Alvarez, Angel; Domingo, Concepcion; Ayllon, Jose Antonio; Lopez-Periago, Ana M","Bottom-up approach for the preparation of hybrid nanosheets based on coordination polymers made of metal-diethyloxaloacetates complexes linked by 4,4’-bipyridine.","CrystEngComm","2017","","","","","10.1039/C7CE00909G","","","0.71073","MoKα","","0.0828","0.0439","","","0.0892","0.1014","","","","","","1.033","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7229209","10.9186","0.0007","10.9186","0.0007","13.3235","0.0011","90","","90","","90","","1588.37","0.19","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C6 H15 N O2 -","- C6 H15 N O2 -","- C48 H120 N8 O16 -","8","1","","Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.","Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP05710E","","","1.54178","CuKα","","0.0815","0.0694","","","0.1591","0.1709","","","","","","1.068","","","","has coordinates","201022","2020-10-21","18:00:00",""
"7229732","6.9587","0.0013","6.9587","0.0013","7.0832","0.0009","90","","90","","90","","342.99","0.1","300","","300","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","alpha-Na3PS4","- Na3 P S4 -","- Na3 P S4 -","- Na6 P2 S8 -","2","0.25","","Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo","The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4","Journal of Materials Chemistry A","2017","5","47","25025","","10.1039/C7TA08391B","powder diffraction","","0.70028","synchrotron","","","","","","","","","","","","","","","","","has coordinates","204276","2020-10-21","18:00:00",""
"7230209","17.5199","0.0018","17.5199","0.0018","10.0567","0.0014","90","","90","","90","","3086.9","0.6","230","","230","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C7 H22 O3 Si3 -","- C7 H22 O3 Si3 -","- C56 H176 O24 Si24 -","8","1","","Arzumanyan, Ashot V.; Goncharova, Irina K.; Novikov, Roman A.; Milenin, Sergey A.; Boldyrev, Konstantin L.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Smol'yakov, Alexander F.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co or Cu/NHPI-catalyzed oxidation of hydride siloxanes: synthesis of siloxanols","Green Chemistry","2018","20","7","1467","","10.1039/C8GC00424B","","x-ray","0.71073","MoKα","","0.1323","0.05","","","0.1118","0.1359","","","","","","0.945","","","","has coordinates","230108","2020-10-21","18:00:00",""
"7231687","18.7167","0.0005","18.7167","0.0005","5.7741","0.0003","90","","90","","90","","2022.75","0.13","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","3-phenylserine peroxosolvate","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C72 H104 N8 O40 -","8","1","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0368","0.0299","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231872","16.2757","0.0002","16.2757","0.0002","17.5837","0.0004","90","","90","","90","","4657.89","0.13","297","2","297","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Cd N10 -","- C18 H7 Cd N10 -","- C144 H56 Cd8 N80 -","8","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam","Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.","Physical chemistry chemical physics : PCCP","2018","20","47","29951","29958","10.1039/c8cp06190d","","","0.7107","MoKα","","0.1942","0.0797","","","0.1098","0.1387","","","","","","1.083","","","","has coordinates","230930","2020-10-21","18:00:00",""
"7234317","9.5941","0.0013","9.5941","0.0013","20.329","0.003","90","","90","","90","","1871.2","0.5","296","2","296.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H18 Co2 N4 O14 S -","- C10 H18 Co2 N4 O14 S -","- C40 H72 Co8 N16 O56 S4 -","4","0.5","","Zhang, Jie; Zhao, Qian-Nan; Yang, Feng; Yin, Lei; Li, Miao-Miao; Wang, Zhenxing; Ouyang, Zhongwen; Xia, Zheng-Cai; Hu, Tuo-Ping","A cobalt(ii) chain based on pymca generated in situ from the hydrolysis of 2-cyanopyrimidine: spin canting and magnetic relaxation","RSC Advances","2019","9","53","31115","","10.1039/C9RA05354A","","","0.71073","MoKα","","0.0619","0.0557","","","0.1181","0.1205","","","","","","1.194","","","","has coordinates","219055","2020-10-21","18:00:00",""
"7234782","16.1258","0.0004","16.1258","0.0004","17.1229","0.0004","90","","90","","90","","4452.66","0.19","200","2","200","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Co N10 -","- C18 H7 Co N10 -","- C144 H56 Co8 N80 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0529","0.0507","","","0.1389","0.1409","","","","","","1.198","","","","has coordinates","220097","2020-10-21","18:00:00",""
"7234786","16.083","0.0004","16.083","0.0004","17.0185","0.0004","90","","90","","90","","4402.05","0.19","180","2","180","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 N10 Ni -","- C18 H14 N10 Ni -","- C144 H112 N80 Ni8 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.074","0.072","","","0.1724","0.1757","","","","","","1.262","","","","has coordinates","220101","2020-10-21","18:00:00",""
"7234789","16.1494","0.0006","16.1494","0.0006","17.2252","0.0005","90","","90","","90","","4492.4","0.3","200","2","200","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Fe N10 -","- C18 H7 Fe N10 -","- C144 H56 Fe8 N80 -","8","1","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.0549","0.048","","","0.1315","0.137","","","","","","1.142","","","","has coordinates","220104","2020-10-21","18:00:00",""
"7236181","20.608","0.002","20.608","0.002","22.35","0.002","90","","90","","90","","9491.8","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C46 H70 Cd2 Cr3 N11 O41 -","- C46 H51 Cd2 Cr3 N10 O38 -","- C184 H204 Cd8 Cr12 N40 O152 -","4","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0738","0.0562","","","0.1568","0.1716","","","","","","1.103","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236620","22.156","0.008","22.156","0.008","8.111","0.004","90","","90","","90","","3982","3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C10 H15 I3 N Pb -","- C10 H15 I3 N Pb -","- C80 H120 I24 N8 Pb8 -","8","1","","Wang, Guan-E; Yao, Ming-Shui; Cai, Min-Lan; Xiu, Jing-Wei; Li, Yan-Zhou; Xu, Gang; Guo, Guo-Cong","Constructing semiconductive crystalline microporous materials by Coulomb interactions","Journal of Materials Chemistry A","2017","5","35","18409","","10.1039/C7TA05805E","","","0.71073","MoKα","","0.1135","0.0637","","","0.1507","0.1769","","","","","","1.026","","","","has coordinates","236364","2020-10-21","18:00:00",""
"7236889","16.3047","0.0004","16.3047","0.0004","17.6047","0.0005","90","","90","","90","","4680.1","0.2","300","","300","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Cd N10 -","- C17.9996 H7 Cd N10 -","- C143.997 H56 Cd8 N80 -","8","1","","Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia","Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite","Journal of Materials Chemistry C","2018","6","37","9867","","10.1039/C7TC03136J","","","0.71073","MoKα","","0.0466","0.0358","","","0.0941","0.1011","","","","","","1.06","","","","has coordinates,has disorder","236604","2020-10-21","18:00:00",""
"7241530","33.475","0.003","33.475","0.003","39.463","0.005","90","","90","","90","","44221","8","296","2","296","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","BSF-74","","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C1088 H960 B384 Cl384 Cu32 N128 O64 -","16","2","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.0922","0.0627","","","0.1693","0.1896","","","","","","1.023","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7248060","18.493","0.0007","18.493","0.0007","7.1799","0.0005","90","","90","","90","","2455.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C116 H104 Br8 -","- C116 H104 Br8 -","- C116 H104 Br8 -","1","0.125","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0684","0.0394","","","0.0728","0.082","","","","","","1","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7249079","10.2231","0.0005","10.2231","0.0005","18.5008","0.0014","90","","90","","90","","1933.6","0.2","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H56 Cl2 N6 O8 -","- C30 H56 Cl2 N6 O8 -","- C60 H112 Cl4 N12 O16 -","2","0.25","","Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy","Anion-π interaction with alkenes: persistent complexes vs irreversible reactions of anions with tetracyanoethylene","Physical Chemistry Chemical Physics","2024","","","","","10.1039/D4CP02573C","","","0.71073","MoKα","","0.0556","0.0448","","","0.1284","0.136","","","","","","1.068","","","","has coordinates,has disorder","293503","2024-07-23","00:52:21",""
"7700105","16.2894","0.0005","16.2894","0.0005","17.4199","0.0005","90","","90","","90","","4622.3","0.2","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Mn N10 -","- C18 H28 Mn N10 -","- C144 H224 Mn8 N80 -","8","1","","Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci","Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9072","9078","10.1039/c9dt01648a","","","0.41112","synchrotron","","0.0851","0.0648","","","0.1649","0.1999","","","","","","1.135","","","","has coordinates,has disorder","224206","2020-10-21","18:00:00",""
"7701814","13.9144","0.0002","13.9144","0.0002","17.8688","0.0003","90","","90","","90","","3459.59","0.09","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Tetrakis-[2,4-di(3,5-dimethylpyrazol-1-yl)-6H-1,3,5-triazine)]-tetrasilver(I) tetra-perchlorate","","- C52 H60 Ag4 Cl4 N28 O16 -","- C52 H60 Ag4 Cl4 N28 O16 -","- C104 H120 Ag8 Cl8 N56 O32 -","2","0.25","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.037","0.0358","","","0.0906","0.0919","","","","","","1.051","","","","has coordinates,has disorder","223398","2020-10-21","18:00:00",""
"7702184","12.1372","0.0007","12.1372","0.0007","21.6505","0.0014","90","","90","","90","","3189.4","0.3","223","2","223","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C34 H26 Mn N2 -","- C34 H26 Mn N2 -","- C136 H104 Mn4 N8 -","4","0.5","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0409","0.037","","","0.1084","0.1129","","","","","","1.063","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7703864","28.087","0.002","28.087","0.002","9.4238","0.0007","90","","90","","90","","7434.2","0.9","120","2","120","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H55 O3 P Si2 W -","- C36 H55 O3 P Si2 W -","- C288 H440 O24 P8 Si16 W8 -","8","1","","Muraoka, Takako; Tsuchimoto, Masato; Ueno, Keiji","Synthesis, structure, and reactivity of a pyridine-stabilized silanonetungsten complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","16","5100","5107","10.1039/d0dt00497a","","","0.71073","MoKα","","0.036","0.0289","","","0.0636","0.0654","","","","","","0.982","","","","has coordinates","251625","2020-10-21","18:00:00",""
"7704499","17.002","0.004","17.002","0.004","17.32","0.004","90","","90","","90","","5007","2","173","","173","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C23.5 H29.75 Co N5.25 O3 P -","- C23.5 H29.75 Co N5.25 O3 P -","- C188 H238 Co8 N42 O24 P8 -","8","1","","Cabelof, Alyssa C.; Carta, Veronica; Chen, Chun-Hsing; Caulton, Kenneth G.","Nitrogen oxyanion reduction by Co(ii) augmented by a proton responsive ligand: recruiting multiple metals.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7891","7896","10.1039/d0dt01298j","","","0.71073","MoKα","","0.1382","0.0756","","","0.1529","0.1762","","","","","","1.058","","","","has coordinates,has disorder","253921","2020-10-21","18:00:00",""
"7704829","16.4377","0.0007","16.4377","0.0007","27.2437","0.0012","90","","90","","90","","7361.2","0.5","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge6 N4 Si4 -","- C60 H104 Ge6 N4 Si4 -","- C240 H416 Ge24 N16 Si16 -","4","0.5","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.0423","0.0377","","","0.0874","0.0906","","","","","","1.193","","","","has coordinates","256115","2020-10-21","18:00:00",""
"7705174","23.87663","0.00017","23.87663","0.00017","7.93792","0.00008","90","","90","","90","","4525.36","0.06","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","[Cu(Py(O=C-N)2(PhMe2)2(EDA)]","","","- C25 H29 Cu N5 O2 -","- C25 H29 Cu N5 O2 -","- C200 H232 Cu8 N40 O16 -","8","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0319","0.0301","","","0.0796","0.0812","","","","","","1.046","","","","has coordinates","257559","2020-10-21","18:00:00",""
"7708469","9.4429","0.0001","9.4429","0.0001","12.3008","0.0003","90","","90","","90","","1096.84","0.03","108","2","108","2","","","","","","","","4","P -4 21 c","P -4 2n","114","2,2-dinitratomethyl-5,5-bitetrazole","2,2-dinitratomethyl-5,5-bitetrazole","","- C4 H4 N10 O6 -","- C4 H4 N10 O6 -","- C16 H16 N40 O24 -","4","0.5","","Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg","N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive","Dalton Transactions","2021","","","","","10.1039/D1DT02731J","","x-ray","0.71073","MoKα","","0.0352","0.0304","","","0.0781","0.081","","","","","","1.069","","","","has coordinates","269383","2021-09-29","23:12:02",""
"7710486","16.3651","0.0005","16.3651","0.0005","27.0314","0.0009","90","","90","","90","","7239.5","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.28 N4 Si7.72 -","- C60 H104 Ge2.2748 N4 Si7.7252 -","- C240 H416 Ge9.0992 N16 Si30.9008 -","4","0.5","","Wang, Zheng; Liu, Yahuan; Han, Mingyang; Ma, Ning; Lyu, Quanming; Liu, Qingbin; Sun, Wen-Hua","Efficient transfer hydrogenation of ketones using molybdenum complexes by comprehensively verifying the auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10983","10991","10.1039/d2dt01177h","","","0.71073","MoKα","","0.0182","0.0175","","","0.049","0.0493","","","","","","1.08","","","","has coordinates,has disorder","277107","2022-08-06","11:47:35",""
"7710487","16.3876","0.0008","16.3876","0.0008","27.0831","0.0013","90","","90","","90","","7273.3","0.6","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge3.89 N4 Si6.11 -","- C60 H104 Ge3.89 N4 Si6.11 -","- C240 H416 Ge15.56 N16 Si24.44 -","4","0.5","","Wang, Zheng; Liu, Yahuan; Han, Mingyang; Ma, Ning; Lyu, Quanming; Liu, Qingbin; Sun, Wen-Hua","Efficient transfer hydrogenation of ketones using molybdenum complexes by comprehensively verifying the auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10983","10991","10.1039/d2dt01177h","","","0.71073","MoKα","","0.0293","0.0267","","","0.0632","0.0641","","","","","","1.077","","","","has coordinates,has disorder","277107","2022-08-06","11:47:35",""
"7710488","16.3758","0.0005","16.3758","0.0005","27.0498","0.0009","90","","90","","90","","7253.9","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.9 N4 Si7.1 -","- C60 H104 Ge2.904 N4 Si7.096 -","- C240 H416 Ge11.616 N16 Si28.384 -","4","0.5","","Wang, Zheng; Liu, Yahuan; Han, Mingyang; Ma, Ning; Lyu, Quanming; Liu, Qingbin; Sun, Wen-Hua","Efficient transfer hydrogenation of ketones using molybdenum complexes by comprehensively verifying the auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10983","10991","10.1039/d2dt01177h","","","0.71073","MoKα","","0.0188","0.0179","","","0.0476","0.0479","","","","","","1.03","","","","has coordinates,has disorder","277107","2022-08-06","11:47:35",""
"7710638","16.3651","0.0005","16.3651","0.0005","27.0314","0.0009","90","","90","","90","","7239.5","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.28 N4 Si7.72 -","- C60 H104 Ge2.2748 N4 Si7.7252 -","- C240 H416 Ge9.0992 N16 Si30.9008 -","4","0.5","","Helmer, Joschua; Droste, Jörn; Hansen, Michael Ryan; Hepp, Alexander; Lips, Felicitas","Unsaturated amido-substituted six-vertex mixed silicon germanium clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01746F","","","0.71073","MoKα","","0.0182","0.0175","","","0.049","0.0493","","","","","","1.08","","","","has coordinates,has disorder","276416","2022-06-29","23:02:29",""
"7710639","16.3876","0.0008","16.3876","0.0008","27.0831","0.0013","90","","90","","90","","7273.3","0.6","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge3.89 N4 Si6.11 -","- C60 H104 Ge3.89 N4 Si6.11 -","- C240 H416 Ge15.56 N16 Si24.44 -","4","0.5","","Helmer, Joschua; Droste, Jörn; Hansen, Michael Ryan; Hepp, Alexander; Lips, Felicitas","Unsaturated amido-substituted six-vertex mixed silicon germanium clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01746F","","","0.71073","MoKα","","0.0293","0.0267","","","0.0632","0.0641","","","","","","1.077","","","","has coordinates,has disorder","276416","2022-06-29","23:02:29",""
"7710640","16.3758","0.0005","16.3758","0.0005","27.0498","0.0009","90","","90","","90","","7253.9","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.9 N4 Si7.1 -","- C60 H104 Ge2.904 N4 Si7.096 -","- C240 H416 Ge11.616 N16 Si28.384 -","4","0.5","","Helmer, Joschua; Droste, Jörn; Hansen, Michael Ryan; Hepp, Alexander; Lips, Felicitas","Unsaturated amido-substituted six-vertex mixed silicon germanium clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01746F","","","0.71073","MoKα","","0.0188","0.0179","","","0.0476","0.0479","","","","","","1.03","","","","has coordinates,has disorder","276416","2022-06-29","23:02:29",""
"7711565","17.16","0.0003","17.16","0.0003","21.1327","0.0005","90","","90","","90","","6222.9","0.2","173","","173","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C27 H50 Cl O2 P2 Ti -","- C27 H50 Cl O2 P2 Ti -","- C216 H400 Cl8 O16 P16 Ti8 -","8","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.0626","0.0584","","0.1585","0.1539","0.1585","","","","","","0.9087","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711809","28.053","0.003","28.053","0.003","9.461","0.0013","90","","90","","90","","7445.5","1.5","130","2","130","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H55 Mo O3 P Si2 -","- C36 H55 Mo O3 P Si2 -","- C288 H440 Mo8 O24 P8 Si16 -","8","1","","Muraoka, Takako; Suzuki, Yuzuki; Tsuchimoto, Masato; Trigagema, Gama; Ueno, Keiji; Koyama, Shinji","Synthesis and structure of a pyridine-stabilized silanone molybdenum complex and its reactions with PMe3 and acetone","Dalton Transactions","2022","","","","","10.1039/D2DT02560D","","","0.71073","MoKα","","0.0442","0.0363","","","0.0855","0.0887","","","","","","1.046","","","","has coordinates","279408","2022-11-18","23:47:43",""
"7713688","14.4406","0.0012","14.4406","0.0012","14.0771","0.0012","90","","90","","90","","2935.5","0.4","203","2","203","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H64 Cu4 N4 S8 -","- C60 H64 Cu4 N4 S8 -","- C120 H128 Cu8 N8 S16 -","2","0.25","","Khanzadeh, Atousa; Ataie, Saeed; Baker, R. Tom","Tetracopper(I) thiolate- and amido-(SNS) complexes and copper-catalyzed azide-alkyne cycloaddition in water","Dalton Transactions","2023","","","","","10.1039/D3DT01651J","","","0.71073","MoKα","","0.0608","0.0373","","","0.0841","0.0949","","","","","","1.039","","","","has coordinates","285592","2023-08-08","22:57:35",""
"7714867","11.3668","0.0003","11.3668","0.0003","6.27238","0.00002","90","","90","","90","","810.42","0.03","298","","298","","","","101.325","","","","","5","P -4 21 c","P -4 2n","114","Zinc-Silver(Imidazol)","","","- C12 H12 Ag2 N8 Zn -","- C12 H12 Ag2 N8 Zn -","- C24 H24 Ag4 N16 Zn2 -","2","0.25","","Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna","New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2833","2847","10.1039/d3dt03211f","","x-ray","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","290178","2024-03-04","20:17:52",""
"7714868","11.33","0.0004","11.33","0.0004","6.2085","0.0002","90","","90","","90","","796.98","0.05","298","","298","","","","101.325","","","","","5","P -4 21 c","P -4 2n","114","Cobalt-Silver(Imidazol)","Cobalt-Silver(Imidazol)","","- C12 H12 Ag2 Co N8 -","- C12 H12 Ag2 Co N8 -","- C24 H24 Ag4 Co2 N16 -","2","0.25","","Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna","New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2833","2847","10.1039/d3dt03211f","","x-ray","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","290178","2024-03-04","20:17:52",""
"7715885","32.8779","0.0002","32.8779","0.0002","20.694","0.0002","90","","90","","90","","22369.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C24 H29 Mo16 N23 Na2 O49 -","- C24 H32 Mo16 N24 Na2 O49 -","- C192 H256 Mo128 N192 Na16 O392 -","8","1","","Dai, Ru-Dan; Xie, Zhen-Lang; Liu, Cheng; Xin, Dong; Zhou, Zhao-Hui","Crown ether-like octanuclear molybdenum(V) clusters for cation binding and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8980","8987","10.1039/d4dt00825a","","x-ray","1.54184","CuKα","","0.0594","0.0506","","","0.1302","0.1356","","","","","","1.056","","","","has coordinates,has disorder","293144","2024-07-05","16:59:18",""
"7716831","18.8191","0.0008","18.8191","0.0008","23.116","0.003","90","","90","","90","","8186.7","1.2","120","2","120","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C84 H84 Ni6 S12 -","- C84 H84 Ni6 S12 -","- C336 H336 Ni24 S48 -","4","0.5","","Debnath, Suparno; Giri, Sandip; Mani, Ganesan","Selective synthesis of the missing tiara-like Ni<sub>10</sub>, Ni<sub>5</sub> and Ni<sub>6</sub> thiolates by the C-S bond cleavage of bis(thioether) molecules with a DFT study.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14875","14886","10.1039/d4dt02047b","","","0.71073","MoKα","","0.027","0.0225","","","0.0516","0.0541","","","","","","1.089","","","","has coordinates","295267","2024-10-06","08:08:20",""
"7717055","17.7047","0.0001","17.7047","0.0001","16.4257","0.0002","90","","90","","90","","5148.74","0.07","180","","180","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C74 H89 Cu6 Gd4 N19 O44 -","- C74 H89 Cu6 Gd4 N19 O44 -","- C148 H178 Cu12 Gd8 N38 O88 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu6M4] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02054E","","x-ray","1.54184","CuKα","","0.0456","0.0439","","","0.1126","0.1142","","","","","","1.041","","","","has coordinates","294813","2024-09-19","22:57:30",""
"7717056","17.7509","0.0001","17.7509","0.0001","16.2759","0.0002","90","","90","","90","","5128.45","0.08","150.1","0.2","150.1","0.2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C76 H92 Cu6 N20 O44 Y4 -","- C76 H92 Cu6 N20 O44 Y4 -","- C152 H184 Cu12 N40 O88 Y8 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu6M4] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02054E","","x-ray","1.54184","CuKα","","0.0217","0.0215","","","0.0594","0.0595","","","","","","1.067","","","","has coordinates","294813","2024-09-19","22:57:31",""
"7717057","17.453","0.0001","17.453","0.0001","16.6568","0.0001","90","","90","","90","","5073.78","0.05","149.94","0.1","149.94","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C76 H92 Cu6 Dy4 N20 O44 -","- C76 H92 Cu6 Dy4 N20 O44 -","- C152 H184 Cu12 Dy8 N40 O88 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu6M4] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02054E","","x-ray","1.54184","CuKα","","0.0243","0.0239","","","0.0656","0.0658","","","","","","1.07","","","","has coordinates,has disorder","294813","2024-09-19","22:57:31",""
"7717058","17.5805","0.0001","17.5805","0.0001","16.5113","0.0001","90","","90","","90","","5103.21","0.05","149.99","0.1","149.99","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C74 H89 Cu6 N19 O44 Tb4 -","- C74 H89 Cu6 N19 O44 Tb4 -","- C148 H178 Cu12 N38 O88 Tb8 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu6M4] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02054E","","x-ray","1.54184","CuKα","","0.0322","0.032","","","0.0829","0.083","","","","","","1.039","","","","has coordinates","294813","2024-09-19","22:57:31",""
"8000142","14.197","0.003","14.197","0.003","12.052","0.003","90","","90","","90","","2429.1","0.9","200","2","200","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C32 H36 Co4 F24 N4 O12 -","- C32 H36 Co4 F24 N4 O12 -","- C64 H72 Co8 F48 N8 O24 -","2","0.25","","Mitsumoto, Kiyotaka; Koizumi, Satoshi; Shiga, Takuya; Nishikawa, Hiroyuki; Chi, Yun; Oshio, Hiroki","Alkoxo-bridged Cobalt(II) Cube and Its Radical Adduct","Chemistry Letters","2007","36","9","1154","","10.1246/cl.2007.1154","","","0.71073","MoKα","","0.0198","0.019","","","0.0518","0.0526","","","","","","1.093","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000451","16.1196","0.0003","16.1196","0.0003","17.5219","0.0006","90","","90","","90","","4552.9","0.2","143","2","143","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H64 Mn4 N40 O12 -","- C72 H64 Mn4 N40 O12 -","- C144 H128 Mn8 N80 O24 -","2","0.25","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1414","0.126","","","0.2778","0.2839","","","","","","1.012","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8103162","17.522","0.002","17.522","0.002","18.583","0.003","90","","90","","90","","5705.4","1.3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C27 H27 Cl2 N9 Zn -","- C27 H27 Cl2 N9 Zn -","- C216 H216 Cl16 N72 Zn8 -","8","1","","Željko K. Jacimovic; Sladjana B. Novakovic; Goran A. Bogdanovic; Svetlana Beloševic; Anja Jokic; Vukadin M. Leovac","Crystal structure of chlorido-tris(3-amino-5-phenyl-1H- pyrazole-N2)zinc(II) chloride, [ZnCl(C9H9N3)3]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","397","","","","","0.71073","MoKα","","0.0952","0.0396","","","0.0977","0.1142","","","","","","0.989","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8104165","8.442","","8.442","","6.399","","90","","90","","90","","456.04","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","(Ag (N H3)2)2 S O4","","- Ag2 H12 N4 O4 S -","- Ag2 H12 N4 O4 S -","- Ag4 H24 N8 O8 S2 -","2","0.25","","Zachwieja, U.; Jacobs, H.","Redetermination of the crystal structure of diammine silver(I) sulfate, (Ag(NH3)2)2SO4","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","207","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8106593","16.624","0.006","16.624","0.006","14.385","0.006","90","","90","","90","","3975","3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H22 N2 O5 -","- C20 H28 N2 O5 -","- C160 H224 N16 O40 -","8","1","","Meng, Jing; Zhou, Hai-Yu; Sui, Feng","Crystal structure of methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","527","528","10.1515/ncrs-2016-0282","","","0.71073","MoKα","","0.0976","0.0647","","","0.1886","0.2119","","","","","","1.105","","","","has coordinates,has disorder","280600","2023-01-25","10:14:51",""
"9007723","7.739","","7.739","","5.636","","90","","90","","90","","337.552","","","","","","","","","","","","Synthetic","2","P -4 21 c","P -4 2n","114","","","Sphaerobismoite","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Blower, S. K.; Greaves, C.","The structure of beta-Bi2O3 from powder neutron diffraction data","Acta Crystallographica, Section C","1988","44","","587","589","10.1107/S0108270187011661","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008244","7.42","","7.42","","11.34","","90","","90","","90","","624.34","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C8 O8 Si -","- C8 H12 O8 Si -","- C16 H24 O16 Si2 -","2","0.25","","Kamenar, B.; Bruvo, M.","Die kristallstruktur des silicium(IV)-acetats","Zeitschrift fur Kristallographie","1975","141","","97","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9011384","7.9268","","7.9268","","9.1025","","90","","90","","90","","571.948","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H2 O4 Sn3 -","- H2 O4 Sn3 -","- H8 O16 Sn12 -","4","0.5","","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) oxyhydroxide by X-ray powder diffraction Locality: synthetic","Acta Crystallographica, Section C","1996","52","","286","288","10.1107/S0108270195012625","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011926","9.851","","9.851","","13.06","","90","","90","","90","","1267.37","","","","","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","Kalborsite","- Al4 B Cl H4 K6 O24 Si6 -","- Al4 B Cl H4 K6 O24 Si6 -","- Al8 B2 Cl2 H8 K12 O48 Si12 -","2","0.25","","Malinovskii, Y. A.; Belov, N. V.","Crystal structure of kalborsite","Doklady Akademii Nauk SSSR","1980","252","","611","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013391","6.6","","6.6","","8.81","","90","","90","","90","","383.764","","","","","","","","","","","","Synthetic","2","P -4 21 c","P -4 2n","114","Adamantane","","Adamantane","- C5 H8 -","- C5 H8 -","- C20 H32 -","4","0.5","","Donohue, J.; Goodman, S. H.","The crystal structure of adamantane: An example of a false minimum in least squares Note: low temperature phase","Acta Crystallographica","1967","22","3","352","354","10.1107/S0365110X67000696","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""