# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T20:46:51+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F d d 2' 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
"1000358","7.92","0.001","27.60799","0.002","7.375","0.001","90","","90","","90","","1612.6","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Barium oxotetrafluorovanadate(IV)","","- Ba F4 O V -","- Ba F4 O V -","- Ba16 F64 O16 V16 -","16","1","","Crosnier-Lopez, M P; Duroy, H; Fourquet, J L","Crystal structure of a new acentric oxide fluoride of V^IV^: BaVOF~4~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","620","","309","312","10.1002/zaac.19946200216","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001169","24.4219","0.0021","22.3429","0.0022","7.5416","0.0013","90","","90","","90","","4115.1","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Cadmium hexachloroniccolate dodecahydrate","","- Cd2 Cl6 H24 Ni O12 -","- Cd2 Cl6 H24 Ni O12 -","- Cd16 Cl48 H192 Ni8 O96 -","8","0.5","","Leclaire, A; Borel, M M","Structure de l'Hexachlorure de Dicadmium et de Nickel Dodecahydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","3088","3090","10.1107/S0567740880010850","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001520","11.571","0.001","15.88","0.002","7.138","0.001","90","","90","","90","","1311.6","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Cadmium tecto-diphosphatovanadate(IV)","","- Cd O10 P2 V2 -","- Cd O10 P2 V2 -","- Cd8 O80 P16 V16 -","8","0.5","","Leclaire, A; Chardon, J; Grandin, A; Borel, M M; Raveau, B","A novel form of Cd(VO)~2~(PO~4~)~2~ isotypic with Ca(VO)~2~(PO~4~)~2~","European Journal of Solid State Inorganic Chemistry","1993","30","","461","469","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008336","19.44","0.005","19.027","0.005","13.222","0.005","90","","90","","90","","4890.6","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Lithium caesium polyphosphate","","- Cs Li O6 P2 -","- Cs Li O6 P2 -","- Cs32 Li32 O192 P64 -","32","2","","El-Horr, N; Bagieu, M","Structure d'un polyphosphate mixte de lithium et de cesium: LiCs(PO~3~)~2~","Acta Crystallographica C (39,1983-)","1987","43","","603","605","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010520","11.66","0.05","22.34","0.1","6.86","0.03","90","","90","","90","","1786.9","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Germanium sulfide","","- Ge S2 -","- Ge S2 -","- Ge24 S48 -","24","1.5","","Zachariasen, W H","The Crystal Structure of Germanium Disulphide","Journal of Chemical Physics","1936","4","","618","619","10.1063/1.1749915","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011255","18.29999","0.1","18.59999","0.1","6.57","0.02","90","","90","","90","","2236.3","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Sodium tecto-alumosilicate hydrate *","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Taylor, W H; Meek, C A; Jackson, W W","The structures of fibrous zeolites","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","84","","373","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100642","21.637","0.001","26.975","0.002","17.521","0.001","90","","90","","90","","10226.3","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33.5 H23 Cr I O0.5 -","- C34.5 H26 Cr I O0.5 -","- C552 H416 Cr16 I16 O8 -","16","1","","Elschenbroich, Christoph; Möckel, Reinhart; Vasil'kov, Alexander; Metz, Bernhard; Harms, Klaus","Chromium Sandwich Complexes of Polycyclic Aromatic Hydrocarbons: Triphenylene and Fluoranthene as η^6^ Ligands","European Journal of Inorganic Chemistry","1998","1998","10","1391","1401","10.1002/(sici)1099-0682(199810)1998:10<1391::aid-ejic1391>3.0.co;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","177585","2020-10-21","18:00:00",""
"1100859","14.7275","0.0005","28.8178","0.0009","9.7016","0.0003","90","","90","","90","","4117.5","0.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H24 Au Cl N2 -","- C21 H24 Au Cl N2 -","- C168 H192 Au8 Cl8 N16 -","8","0.5","","de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.","Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes","Organometallics","2005","24","10","2411","2418","10.1021/om050111c","","","0.71073","MoKα","","0.0184","0.0161","","","0.0387","0.0396","","","","","","1.094","","","","has coordinates","282777","2023-04-20","11:56:40",""
"1100977","30.503","0.005","4.8598","0.0009","16.322","0.003","90","","90","","90","","2419.5","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","[CdBr2(N,N'-dimethylbiimidazole)]n","","","- C8 H10 Br2 Cd N4 O0 -","- C8 H10 Br2 Cd N4 -","- C64 H80 Br16 Cd8 N32 -","8","0.5","","Ruili Sang; Li Xu","A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties","Inorganic Chemistry","2005","44","","3731","3737","10.1021/ic048280x","","","0.71073","MoKα","","0.0978","0.0861","","","0.2436","0.2717","","","","","","1.512","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101226","61.594","0.009","15.968","0.002","16.59","0.002","90","","90","","90","","16317","4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H33 N12 O1.5 Zn -","- C48 H30 N12 O1.5 Zn -","- C768 H480 N192 O24 Zn16 -","16","1","","Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue","A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis","Inorganic Chemistry","2005","44","","3618","3625","10.1021/ic0500098","","","0.71073","MoKα","","0.136","0.0636","","","0.1402","0.1693","","","","","","0.795","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500012","24.778","0.002","30.457","0.002","6.5364","0.0005","90","","90","","90","","4932.8","0.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H32 Co2 Cr2 N12 O15 -","- C8 H32 Co2 Cr2 N12 O15 -","- C64 H256 Co16 Cr16 N96 O120 -","8","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)","Journal of Chemical Crystallography","2005","35","10","769","775","10.1007/s10870-005-3886-9","","","0.71073","MoKα","","0.066","0.0617","","","0.1518","0.155","","","","","","1.094","","","","has coordinates","174896","2020-10-21","18:00:00",""
"1502044","25.707","0.005","51.276","0.01","5.6218","0.0011","90","","90","","90","","7410","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0648","0.0586","","","0.1345","0.1392","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502046","23.497","0.005","52.752","0.011","5.7732","0.0012","90","","90","","90","","7156","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C320 H416 O48 S16 -","16","1","","Wang, Haining; Huang, Deshun; Cheng, Donghao; Li, Lijun; Shi, Yian","Acid-catalyzed regioselective sulfetherification of alkenols and stereoselective rearrangement of tetrahydrofuran to tetrahydropyran.","Organic letters","2011","13","7","1650","1653","10.1021/ol200127n","","","0.71073","MoKα","","0.0737","0.0679","","","0.1658","0.1705","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502551","17.41","0.0006","62.6791","0.0016","9.6861","0.0002","90","","90","","90","","10569.9","0.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H29 N O6 -","- C30 H29 N O6 -","- C480 H464 N16 O96 -","16","1","","Sathishkannan, Gopal; Srinivasan, Kannupal","Highly diastereoselective synthesis of 1-pyrrolines via SnCl4-promoted [3 + 2] cycloaddition between activated donor-acceptor cyclopropanes and nitriles.","Organic letters","2011","13","22","6002","6005","10.1021/ol2024423","","","0.71073","MoKα","","0.0333","0.0288","","","0.0673","0.0731","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502742","23.1021","0.0008","25.1758","0.0009","3.7363","0.0001","90","","90","","90","","2173.08","0.12","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","2-chloro-3-hydroxy pyridine","","","- C5 H4 Cl N O -","- C5 H4 Cl N O -","- C80 H64 Cl16 N16 O16 -","16","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.","The journal of physical chemistry. A","2010","114","51","13434","13441","10.1021/jp1100413","","x-ray","0.71073","MoKα","","0.0189","0.0152","","","","0.0365","0.0189","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503218","55.9475","0.0011","44.3294","0.0018","12.4822","0.0002","90","","90","","90","","30957.3","1.5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C78 H110 Cl2 N O10 -","- C78 H110 Cl2 N O10 -","- C1248 H1760 Cl32 N16 O160 -","16","1","","Han, Chengyou; Ma, Fengying; Zhang, Zibin; Xia, Binyuan; Yu, Yihua; Huang, Feihe","DIBPillar[n]arenes (n = 5, 6): syntheses, X-ray crystal structures, and complexation with n-octyltriethyl ammonium hexafluorophosphate.","Organic letters","2010","12","19","4360","4363","10.1021/ol1018344","","","1.54184","CuKα","","0.0977","0.0863","","","0.2438","0.2582","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503929","42.329","0.008","5.8139","0.0013","11.242","0.002","90","","90","","90","","2766.6","0.9","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","all-anti-Heptatetrahydrofuran","all-anti-2,3,4-5-Hexakis(tetrahydrofuro)furan","","- C16 H16 O7 -","- C16 H16 O7 -","- C128 H128 O56 -","8","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","1.54178","CuKα","","0.063","0.0612","","","0.1711","0.172","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504077","36.848","0.009","45.584","0.011","6.2397","0.0015","90","","90","","90","","10481","4","93","","93","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H34 B2 O4 -","- C30 H34 B2 O4 -","- C480 H544 B32 O64 -","16","1","","Kimoto, Takakazu; Tanaka, Kenro; Sakai, Yoshimasa; Ohno, Akira; Yoza, Kenji; Kobayashi, Kenji","2,8- and 2,9-Diboryltetracenes as useful building blocks for extended pi-conjugated tetracenes.","Organic letters","2009","11","16","3658","3661","10.1021/ol901420p","","","0.71073","MoKα","","0.0862","0.0454","","","0.0944","0.1094","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504090","19.0037","0.0005","35.6919","0.001","10.5937","0.0003","90","","90","","90","","7185.5","0.3","100","2","100","2","","","","","","","kgroup","3","F d d 2","F 2 -2d","43","","10-benzoyl-9-phenyltetracyclo[5.2.1.0(2,9).0(3,6)]dec-4-ene-2-carboxaldehyde","","- C24 H20 O2 -","- C24 H20 O2 -","- C384 H320 O32 -","16","1","","Valiulin, Roman A.; Kutateladze, Andrei G.","Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.","Organic letters","2009","11","17","3886","3889","10.1021/ol901456m","","x-ray","0.71073","MoKα","","0.0878","0.052","","","0.1327","0.1596","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504406","12.839","0.003","11.055","0.002","12.213","0.003","90","","90","","90","","1733.5","0.7","153","2","153","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C88 H64 N16 -","8","0.5","","Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.","Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.","The journal of physical chemistry. A","2008","112","36","8238","8253","10.1021/jp8037413","","","0.71073","mokα","","0.0542","0.0519","","0.1341","0.1302","","","","1.062","1.058","1.058","","","","","has coordinates","189845","2020-10-21","18:00:00",""
"1504662","25.929","0.002","34.278","0.003","9.4606","0.0009","90","","90","","90","","8408.5","1.3","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C41 H26 F18 N2 P2 S2 -","- C41 H26 F18 N2 P2 S2 -","- C328 H208 F144 N16 P16 S16 -","8","0.5","","Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji","Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.","Organic letters","2008","10","10","2051","2054","10.1021/ol8005216","","","0.71073","MoKα","","0.0768","0.0555","","","0.0772","0.0791","","","","","","2.616","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504663","26.0526","0.0014","33.9275","0.0019","9.413","0.0005","90","","90","","90","","8320.1","0.8","123","","123","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C41 H34 F18 N2 P2 S2 -","- C41 H34 F18 N2 P2 S2 -","- C328 H272 F144 N16 P16 S16 -","8","0.5","","Yumoto, Koji; Irie, Masahiro; Matsuda, Kenji","Control of the photoreactivity of diarylethene derivatives by quaternarization of the pyridylethynyl group.","Organic letters","2008","10","10","2051","2054","10.1021/ol8005216","","","0.71073","MoKα","","0.0525","0.0473","","","0.1423","0.1485","","","","","","1.147","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504988","14.1767","0.0003","29.5845","0.0007","5.5128","0.0001","90","","90","","90","","2312.13","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","0.5","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0418","0.0337","","","0.0844","0.088","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505000","16.0664","0.0016","37.184","0.004","9.0903","0.0009","90","","90","","90","","5430.7","1","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C192 H208 N80 O32 -","16","1","","Loeppky, Richard N.; Shi, Jianzheng; Barnes, Charles L.; Geddam, Sailaja","A diazonium ion cascade from the nitrosation of tolazoline, an imidazoline-containing drug.","Chemical research in toxicology","2008","21","2","295","307","10.1021/tx700317g","","","0.71073","MoKα","","0.0322","0.0292","","","0.0773","0.0792","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505379","22.344","0.005","29.436","0.006","14.928","0.003","90","","90","","90","","9818","4","150","","150","","","","","","","","F. Douelle","6","F d d 2","F 2 -2d","43","","","","- C21 H20 I N3 O10 S -","- C21 H20 I N3 O10 S -","- C336 H320 I16 N48 O160 S16 -","16","1","","Douelle, Frederic; Capes, Amy S.; Greaney, Michael F.","Highly diastereoselective synthesis of vicinal quaternary and tertiary stereocenters using the iodo-aldol cyclization.","Organic letters","2007","9","10","1931","1934","10.1021/ol070482k","","","0.71073","MoKα","","0.0319","0.0295","","0.0666","0.0627","0.0666","","","","","","0.9975","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505402","18.7743","0.0003","29.9639","0.0006","31.9847","0.0008","90","","90","","90","","17993","0.6","123.1","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H52 B2 F8 I2 O8 -","- C42 H52 B2 F8 I2 O8 -","- C672 H832 B32 F128 I32 O128 -","16","1","","Miyamoto, Kazunori; Hirobe, Masaya; Saito, Motomichi; Shiro, Motoo; Ochiai, Masahito","One-pot regioselective synthesis of chromanyl(phenyl)-lambda(3)-iodanes: tandem oxidative cyclization and lambda(3)-iodanation of 3-phenylpropanols.","Organic letters","2007","9","10","1995","1998","10.1021/ol0706105","","","0.71069","MoKα","","","0.027","","","","0.058","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505810","32.3106","0.0008","12.0276","0.0003","12.5523","0.0003","90","","90","","90","","4878.1","0.2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H26 O2 P2 -","- C31 H26 O2 P2 -","- C248 H208 O16 P16 -","8","0.5","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0305","0.0296","","","0.0722","0.0727","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506408","24.37","0.009","31.908","0.011","5.941","0.002","90","","90","","90","","4620","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C160 H224 N32 O32 S16 -","16","1","","Zhang, Wei; Cozzolino, Anthony F.; Mahmoudkhani, Amir H.; Tulumello, Mark; Mansour, Sarah; Vargas-Baca, Ignacio","Influence of pi-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores.","The journal of physical chemistry. B","2005","109","39","18378","18384","10.1021/jp053142u","","","0.71073","MoKα","","0.052","0.035","","","0.079","0.086","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506410","18.2933","0.0011","18.6282","0.0012","6.5839","0.0004","90","","90","","90","","2243.6","0.2","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- Al2 D3.26 Na2 O12 Si3 -","- Al2 D3.258 Na2 O12 Si3 -","- Al16 D26.064 Na16 O96 Si24 -","8","0.5","","Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A.","High-pressure neutron diffraction study of superhydrated natrolite.","The journal of physical chemistry. B","2005","109","39","18223","18225","10.1021/jp054142x","powder diffraction","neutron","","","","","","","","","","0.06644","","1.49","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506654","21.927","0.006","29.244","0.004","8.089","0.002","90","","90","","90","","5187","2","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(3,5-dimethyl-pyridin-4-yl)-3,5-dimethyl-phenol","","- C15 H17 N O -","- C15 H17 N O -","- C240 H272 N16 O16 -","16","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0431","0.0381","","","0.0982","0.1023","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506818","24.447","0.005","40.453","0.008","3.815","0.0008","90","","90","","90","","3772.9","1.3","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N4 O1.5 -","- C9 H7 N4 O1.5 -","- C144 H112 N64 O24 -","16","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.0675","0.0519","","","0.1209","0.1307","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506989","22.321","0.005","23.158","0.005","10.204","0.005","90","0.005","90","0.005","90","0.005","5275","3","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C36 H40 S -","- C36 H40 S -","- C288 H320 S8 -","8","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0459","0.0406","","","0.0903","0.0921","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507934","17.3132","0.0009","27.8758","0.0015","36.903","0.003","90","","90","","90","","17810","2","90","2","90","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2 -","- C69 H86 Cl1.224 I0.78 N4 P4 Si4 U2 -","- C552 H688 Cl9.792 I6.24 N32 P32 Si32 U16 -","8","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0483","0.0457","","","0.1214","0.1231","","","","","","1.043","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1508377","24.375","0.001","30.163","0.002","13.653","0.001","90","","90","","90","","10038","1.1","233","2","233","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C6 H10 B F4 N5 O2 S -","- C6 H10 B F4 N5 O2 S -","- C192 H320 B32 F128 N160 O64 S32 -","32","2","","Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig","Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent","Crystals","2012","2","1","118","126","10.3390/cryst2010118","","","0.71073","MoKα","","0.0818","0.0538","","","0.1316","0.1469","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509343","12.028","","22.918","","6.874","","90","","90","","90","","1894.87","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ag Ga Ge S4 -","- Ag Ga Ge S4 -","- Ag12 Ga12 Ge12 S48 -","12","0.75","","Pobedimskaya, E.A.; Belov, N.V.; Alimova, L.L.; Badikov, V.V.","The crystal structure of the Ag-germanogallium sulfide and Ge S2","Doklady Akademii Nauk SSSR","1981","257","","611","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509692","12.869","","10.49","","3.6638","","90","","90","","90","","494.598","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Ag2 O3 -","- Ag2 O3 -","- Ag16 O24 -","8","0.5","","Standke, B.; Jansen, M.","Darstellung und Kristallstruktur von Ag2 O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","535","","39","46","10.1002/zaac.19865350406","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511084","9.963","","8.728","","6.483","","90","","90","","90","","563.743","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Cu Ir B","","- B Cu Ir -","- B Cu Ir -","- B16 Cu16 Ir16 -","16","1","","Jung, W.; Schmidt, B.; Kluenter, W.","LiIrB, CuIrB und PdIrB, ternaere Iridiumboride mit neuen, vom CaRh2B2-Typ abgeleiteten Strukturen","Journal of Alloys Compd.","1994","205","","93","100","10.1016/0925-8388(94)90772-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511191","10.131","","8.771","","6.621","","90","","90","","90","","588.335","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Pd Ir B","","- B Ir Pd -","- B Ir Pd -","- B16 Ir16 Pd16 -","16","1","","Kluenter, W.; Schmidt, B.; Jung, W.","LiIrB, CuIrB und PdIrB, ternaere Iridiumboride mit neuen, vom CaRh2B2-Typ abgeleiteten Strukturen","Journal of Alloys Compd.","1994","205","","93","100","10.1016/0925-8388(94)90772-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512772","19.5826","0.0003","26.8725","0.0007","34.9729","0.0008","90","","90","","90","","18403.9","0.7","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C8 H17.5 K La N8 O8.75 Pt2 -","- C8 K La N8 O8.75 Pt2 -","- C256 K32 La32 N256 O280 Pt64 -","32","2","","Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)","Inorganica Chimica Acta","2013","394","","459","465","10.1016/j.ica.2012.08.031","","","0.71073","MoKα","","0.03","0.0217","","","0.0494","0.0503","","","","","","1.064","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512773","19.4281","0.0004","26.8587","0.0007","34.727","0.0007","90","","90","","90","","18121","0.7","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C8 H17.5 K N8 Nd O8.75 Pt2 -","- C8 K N8 Nd O8.75 Pt2 -","- C256 K32 N256 Nd32 O280 Pt64 -","32","2","","Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)","Inorganica Chimica Acta","2013","394","","459","465","10.1016/j.ica.2012.08.031","","","0.71073","MoKα","","0.0472","0.0308","","","0.0593","0.0613","","","","","","0.965","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512774","19.4498","0.0004","26.8572","0.0007","34.812","0.0008","90","","90","","90","","18184.6","0.7","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C8 H17.5 K N8 O8.75 Pr Pt2 -","- C8 K N8 O8.75 Pr Pt2 -","- C256 K32 N256 O280 Pr32 Pt64 -","32","2","","Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)","Inorganica Chimica Acta","2013","394","","459","465","10.1016/j.ica.2012.08.031","","","0.71073","MoKα","","0.0302","0.0214","","","0.0392","0.0401","","","","","","0.919","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513131","34.026","0.005","18.078","0.002","6.8131","0.0007","90","","90","","90","","4190.9","0.9","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H32 B2 O4 -","- C19 H32 B2 O4 -","- C152 H256 B16 O32 -","8","0.5","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.057","0.052","","","0.139","0.146","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513162","15.3408","0.0008","44.262","0.002","5.177","0.0003","90","","90","","90","","3515.3","0.3","103","2","103","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C144 H288 O32 -","16","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-Annulation by an SN2‒Conjugate Addition Sequence: Stereoselective Synthesis of Highly Substituted Carbocyles","Organic Letters","2013","15","23","6111","","10.1021/ol4032842","","","0.71073","MoKα","","0.0373","0.0347","","","0.0889","0.0911","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514542","17.8294","0.0019","42.047","0.005","17.6823","0.0019","90","","90","","90","","13256","3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H44 N4 Ni -","- C27 H44 N4 Ni -","- C432 H704 N64 Ni16 -","16","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0658","0.0632","","","0.1719","0.1748","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515118","23.388","0.011","31.934","0.015","5.423","0.003","90","","90","","90","","4050","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H10 B N -","- C12 H10 B N -","- C192 H160 B16 N16 -","16","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0946","0.0571","","","0.1043","0.1198","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516812","27.454","0.009","32.678","0.011","6.833","0.003","90","","90","","90","","6130","4","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C288 H256 N32 O48 -","16","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.053","","","","0.1415","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517297","22.694","0.002","29.694","0.003","33.408","0.003","90","","90","","90","","22513","4","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C50 H54 N8 O11 Zn2 -","- C50 H54 N8 O11 Zn2 -","- C800 H864 N128 O176 Zn32 -","16","1","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.1414","0.0825","","","0.1963","0.2396","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517447","43.6636","0.001","43.3688","0.0007","9.2311","0.0002","90","","90","","90","","17480.4","0.6","182","2","182","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C46 H32 F12 N6 O2 P2 Ru -","- C46 H32 F12 N6 O2 P2 Ru -","- C736 H512 F192 N96 O32 P32 Ru16 -","16","1","","Frei, Angelo; Rubbiani, Riccardo; Tubafard, Solmaz; Blacque, Olivier; Anstaett, Philipp; Felgenträger, Ariane; Maisch, Tim; Spiccia, Leone; Gasser, Gilles","Synthesis, Characterization, and Biological Evaluation of New Ru(II) Polypyridyl Photosensitizers for Photodynamic Therapy.","Journal of medicinal chemistry","2014","57","17","7280","7292","10.1021/jm500566f","","","1.5418","CuKα","","0.0802","0.0782","","","0.2093","0.211","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517455","12.135","0.004","55.75","0.016","11.738","0.003","90","","90","","90","","7941","4","299","","299","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C336 H368 N16 O80 S16 -","16","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.067","","","","0.1864","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517620","12.7151","0.0012","29.843","0.003","11.5626","0.0011","90","","90","","90","","4387.5","0.7","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H20 N8 O6 Zn -","- C18 H20 N8 O6 Zn -","- C144 H160 N64 O48 Zn8 -","8","0.5","","Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten","Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-","Inorganica Chimica Acta","2013","403","","120","126","","","","0.71073","MoKα","","0.0426","0.0389","","","0.0883","0.0898","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518239","19.23","0.002","43.035","0.005","10.2776","0.0012","90","","90","","90","","8505.4","1.7","98","2","98","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H44 Cl6 Fe N4 -","- C42 H44 Cl6 Fe N4 -","- C336 H352 Cl48 Fe8 N32 -","8","0.5","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0355","0.0349","","","0.0921","0.0926","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518808","33.1904","0.0017","37.5532","0.0016","6.7182","0.0002","90","","90","","90","","8373.6","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H17 F5 N2 Pt -","- C24 H17 F5 N2 Pt -","- C384 H272 F80 N32 Pt16 -","16","1","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","","","0.0207","0.0188","","","0.0392","0.04","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520515","22.419","0.008","52.094","0.018","7.523","0.003","90","","90","","90","","8786","6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C400 H464 N16 O80 S16 -","16","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0948","0.0663","","","0.1327","0.1413","","","","","","1.099","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520970","26.74","","31.581","","6.918","","90","","90","","90","","5842.08","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","Na2 (Ru (N O) Cl5) (H2 O)6","","- Cl5 H12 N Na2 O7 Ru -","- Cl5 H12 N Na2 O7 Ru -","- Cl80 H192 N16 Na32 O112 Ru16 -","16","1","","Emel'yanov, V.A.; Gromilov, S.A.; Baidina, I.A.; Logvinenko, V.A.; Virovets, A.V.; Belyaev, A.V.","Synthesis and crystal structure of Na2 (Ru N O Cl2) . 6(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1999","40","","1091","1100","","","","","","","","","","","","","","","","","","","","","","has coordinates","279148","2022-11-09","10:26:24",""
"1521201","15.059","","15.206","","9.005","","90","","90","","90","","2062.03","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Ba Te F6","","- Ba F6 Te -","- Ba F6 Te -","- Ba16 F96 Te16 -","16","1","","Ider, A.; Laval, J.P.; El Farissi, M.","Cationic ordering in tysonite type structures. I. Crystal structure of Ba Te F6","Journal of Fluorine Chemistry","1999","99","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521316","18.334","","18.606","","6.602","","90","","90","","90","","2252.09","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","Na15.62 K0.46 Al16 Si24 O80 (H2 O)15.36","","- Al16 H30.72 K0.46 Na15.62 O95.36 Si24 -","- Al16 H30.72 K0.464 Na15.616 O95.36 Si24 -","- Al16 H30.72 K0.464 Na15.616 O95.36 Si24 -","1","0.0625","","Meneghinello, E.; Martucci, A.; di Renzo, F.; Alberti, A.","Structural refinement of a K-rich natrolite : evidence of a new extraframework cation site","Microporous and Mesoporous Materials","1999","30","","89","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522706","9.402","","13.63","","5.472","","90","","90","","90","","701.233","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Ga3 Hf2 -","- Ga3 Hf2 -","- Ga24 Hf16 -","8","0.5","","Poetzschke, M.; Schubert, K.","Zum Aufbau einiger T(4)-B(3) homologer und quasihomologer Systeme. I. Die Systeme Ti-Ga, Zr-Ga und Hf-Ga","Zeitschrift fuer Metallkunde","1962","53","","474","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522711","9.444","","13.755","","5.497","","90","","90","","90","","714.073","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Ga3 Zr2 -","- Ga3 Zr2 -","- Ga24 Zr16 -","8","0.5","","Poetzschke, M.; Schubert, K.","Zum Aufbau einiger T(4)-B(3) homologer und quasihomologer Systeme. I. Die Systeme Ti-Ga, Zr-Ga und Hf-Ga","Zeitschrift fuer Metallkunde","1962","53","","474","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522998","21.86","","21.69","","13.18","","90","","90","","90","","6249.21","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ba Cd (Sn S4)","","- Ba Cd S4 Sn -","- Ba Cd S4 Sn -","- Ba32 Cd32 S128 Sn32 -","32","2","","Teske, C.L.","Darstellung und Kristallstruktur von Barium-Cadmium-Thiostannat(IV) Ba Cd Sn S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","460","","163","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525851","28.01","","6.794","","7.218","","90","","90","","90","","1373.58","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Te2 V2 O9","","- O9 Te2 V2 -","- O9 Te2 V2 -","- O72 Te16 V16 -","8","0.5","","Darriet, J.; Galy, J.","Tellurium(IV) vanadium(V) oxide, Te2 V2 O9","Crystal Structure Communications","1973","2","","237","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","146914","2020-10-21","18:00:00",""
"1526856","13.471","","23.91","","6.229","","90","","90","","90","","2006.31","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","(N O)2 (Be (N O3)4)","","- Be N6 O14 -","- Be N6 O14 -","- Be8 N48 O112 -","8","0.5","","Troyanov, S.I.; Tikhomirov, G.A.; Morozov, I.V.; Znamenkov, K.O.","Crystal structure of beryllium nitrate complexes (N O)2 (Be (N O3)4) and Be O (N O3)6","Zhurnal Neorganicheskoi Khimii","2000","45","","1941","1948","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527135","21.503","","7.12","","7.4","","90","","90","","90","","1132.95","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2 Zn (Si2 O6)","","- Na2 O6 Si2 Zn -","- Na2 O6 Si2 Zn -","- Na16 O48 Si16 Zn8 -","8","0.5","","Belokoneva, E.L.; Belov, N.V.; Egorov-Tismenko, Yu.K.; Simonov, M.A.","Crystal structure of zinc Chkalovite Na2 Zn (Si2 O6)","Kristallografiya","1969","14","","1060","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528465","11.336","","21.621","","12.355","","90","","90","","90","","3028.16","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","K2 (La (N O3)5) (H2 O)2","","- H4 K2 La N5 O17 -","- H4 K2 La N5 O17 -","- H32 K16 La8 N40 O136 -","8","0.5","","Eriksson, B.; Larsson, L.O.; Niinisto, L.; Valkonen, J.","The crystal and molecular structure of potassium diaquapentanitratolanthanate(III)","Acta Chemica Scandinavica, Series A: (28,1974-)","1980","34","","567","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528603","10.842","","7.44","","21.535","","90","","90","","90","","1737.11","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Ti (P2 S6)","","- P2 S6 Ti -","- P2 S6 Ti -","- P16 S48 Ti8 -","8","0.5","","Jandali, M.Z.; Eulenberger, G.; Hahn, H.","Synthese und Kristallstruktur von Ti P2 S6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","470","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528682","31.721","","12.931","","12.905","","90","","90","","90","","5293.43","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Pb (Pb O) Br (Mo O)2 (P O4)3","","- Br Mo2 O15 P3 Pb2 -","- Br Mo2 O15 P3 Pb2 -","- Br16 Mo32 O240 P48 Pb32 -","16","1","","Leclaire, A.","A novel Mo(V) monophosphate with bromine and mixed valent lead and a Pb=O double bond: Pb(2+) (Pb(4+) O) Br (Mo(5+) O)2 (P O4)3","Solid State Sciences","2006","8","","660","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529113","18.72","","6.48","","8.94","","90","","90","","90","","1084.47","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ag2 Te O2 (O H)4","","- Ag2 H4 O6 Te -","- Ag2 O6 Te -","- Ag16 O48 Te8 -","8","0.5","","Fischer, R.","Die Kristallstruktur von Ag2 Te O2 (O H)4","Monatshefte fuer Chemie (-108,1977)","1969","100","","1809","1822","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529472","12.808","0.013","24.306","0.008","7.7275","0.0017","90","","90","","90","","2406","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cd3(N4CCH2COO)2(OH)2]n","[Cd3(N4CCH2COO)2(OH)2]n","","- C6 H6 Cd3 N8 O6 -","- C6 H4 Cd3 N8 O6 -","- C48 H32 Cd24 N64 O48 -","8","0.5","","Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong","An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid","CrystEngComm","2015","17","39","7473","","10.1039/C5CE01347J","","","0.71073","MoKα","","0.0236","0.0193","","","0.0304","0.0316","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529792","10.725","","13.148","","8.381","","90","","90","","90","","1181.82","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Pd U2 S4","","- Pd S4 U2 -","- Pd S4 U2 -","- Pd8 S32 U16 -","8","0.5","","Daoudi, A.; Noel, H.","Sulfures ternaires d'uranium et de palladium III. Caracterisation et structure cristalline de Pd U2 S4","Journal of the Less-Common Metals","1986","115","","253","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530078","11.516","","11.103","","7.87","","90","","90","","90","","1006.28","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Cs D2 (As O4)","","- As Cs D2 O4 -","- As Cs D2 O4 -","- As8 Cs8 D16 O32 -","8","0.5","","Hay, W.J.; Nelmes, R.J.","Structural studies of deuterated Cs H2 As O 4 in its paraelectric and ferroelectric phases","Journal of Physics C","1981","14","","1043","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530121","8.138","","39.361","","11.5458","","90","","90","","90","","3698.35","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","K H (I O3)2","","- H I2 K O6 -","- I2 K O6 -","- I48 K24 O144 -","24","1.5","","Kalinin, V.R.; Ilyukhin, V.V.; Pakhomov, V.I.; Belov, N.V.","Crystal structure of a new rhombic modification of acid potassium iodate","Doklady Akademii Nauk SSSR","1978","239","","318","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530148","10.8","","10.672","","7.242","","90","","90","","90","","834.696","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Rb (H2 P O4)","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H16 O32 P8 Rb8 -","8","0.5","","Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of Rb H2 P O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1980","13","","4841","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530435","16.541","","20.467","","6.431","","90","","90","","90","","2177.18","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","(N H4)2 Te3 O8 (O H)4","","- H12 N2 O12 Te3 -","- H4 N2 O12 Te3 -","- H32 N16 O96 Te24 -","8","0.5","","Moret, J.; Philippot, E.; Maurin, M.","Etude du ternaire N H3-Te O3-H2 O. Synthese et etude cristallochimique de (N H4)2 Te3 O8 (O H)4","Revue de Chimie Minerale","1979","16","","39","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","155539","2020-10-21","18:00:00",""
"1531018","23","","27.5","","4.62","","90","","90","","90","","2922.15","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Cd7 P10 -","- Cd7 P10 -","- Cd56 P80 -","8","0.5","","Zavalishin, E.I.; Aleinikova, K.B.; Rabotkina, N.S.; Arsenov, A.V.","The crystal structure of Cd7 P10","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1979","20","","146","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531705","20.902","","11.623","","4.759","","90","","90","","90","","1156.17","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","H2 Te2 O3 F4","","- F4 H2 O3 Te2 -","- F4 H2 O3 Te2 -","- F32 H16 O24 Te16 -","8","0.5","","Jumas, J.C.; Philippot, E.; Maurin, M.","Sur les Composes Fluores et Oxyfluores du Tellure(IV). Synthese, Caracterisation et Etude Structurale de l'Acide Trioxotetrafluoroditellurique(IV), H2 Te2 O3 F4","Journal of Fluorine Chemistry","1976","8","","329","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533116","15.626","","18.968","","10.272","","90","","90","","90","","3044.56","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Ba5 P9 -","- Ba5 P9 -","- Ba40 P72 -","8","0.5","","Eisenmann, B.; Roessler, U.","Ein Erdalkalimetallphosphid ungewoehnlicher Zusammensetzung: die Kristallstruktur von Ba5 P9","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","459","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534708","15.068","","17.916","","9.212","","90","","90","","90","","2486.86","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","(Mn (S O2)2) (As F6)2","","- As2 F12 Mn O4 S2 -","- As2 F12 Mn O4 S2 -","- As16 F96 Mn8 O32 S16 -","8","0.5","","Lork, E.; Mews, R.; Schroeter, M.; Petersen, J.; Zemva, B.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535370","14.844","","21.752","","6.495","","90","","90","","90","","2097.15","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","K2 (Te3 O8 (O H)4)","","- H4 K2 O12 Te3 -","- K2 O12 Te3 -","- K16 O96 Te24 -","8","0.5","","Minimol, M.P.; Vidyasagar, K.","Hydrothermal synthesis and characterization of new one-dimensional tellurates, A2 [Te3 O8 (O H)4] (A = Cs, Rb, K, Na)","Indian Journal of Chemistry","2003","42","","2244","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","162693","2020-10-21","18:00:00",""
"1535567","12.716","","15.23","","7.288","","90","","90","","90","","1411.43","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Li W3 O9 F","","- F Li O9 W3 -","- F Li O9 W3 -","- F8 Li8 O72 W24 -","8","0.5","","Moutou, J.M.; Vlasse, M.; Cervera-Marzal, M.; Chaminade, J.P.; Pouchard, M.","A structural study of a new lithium oxyfluorotungstate, Li W3 O9 F","Journal of Solid State Chemistry","1984","51","","190","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536062","11.137","","21.272","","12.151","","90","","90","","90","","2878.65","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","K2 Nd (N O3)5 (H2 O)2","","- H4 K2 N5 Nd O17 -","- K2 N5 Nd O17 -","- K16 N40 Nd8 O136 -","8","0.5","","Vigdorchik, A.G.; Verin, I.A.; Malinovskii, Yu.A.; Dryuchko, A.G.","Low-temperature X-ray investigation of potassium-neodymium nitratesK3(Nd2(NO3)9) and K2(Nd(NO3)5(H2O)2).","Kristallografiya","1992","37","","882","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536612","54.848","","80.809","","20.2874","","90","","90","","90","","89918.1","","","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","(C (N H2)3)18 (Na (U O2)3 (O H) (H2 O)6 (As4 W40 O140 (W O))) (H2 O)25","","- C12.05 As4 N35.95 Na O179 U3 W41 -","- C12.05 As4 N35.95 Na O179 U3 W41 -","- C192.8 As64 N575.2 Na16 O2864 U48 W656 -","16","1","","Kim Kee-Chan; Gaunt, A.; Pope, M.T.","New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-)","Journal of Cluster Science","2002","13","","423","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537246","14.05","","17.085","","5.738","","90","","90","","90","","1377.37","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Eu3 P4 -","- Eu3 P4 -","- Eu24 P32 -","8","0.5","","von Schnering, H.G.; Wittmann, M.; Sommer, D.","Eu3 P4, Sr3 P4 und Ba3 P4, Polyphosphide mit P4(6-)-Ketten in einer alpha-Th Si2-Defektstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","510","","61","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537249","14.3","","17.372","","5.839","","90","","90","","90","","1450.52","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Sr3 P4","","- P4 Sr3 -","- P4 Sr3 -","- P32 Sr24 -","8","0.5","","von Schnering, H.G.; Wittmann, M.; Sommer, D.","Eu3 P4, Sr3 P4 und Ba3 P4, Polyphosphide mit P4(6-)-Ketten in einer alpha-Th Si2-Defektstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","510","","61","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","165293","2020-10-21","18:00:00",""
"1537252","14.851","","18.236","","6.15","","90","","90","","90","","1665.56","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Ba3 P4 -","- Ba3 P4 -","- Ba24 P32 -","8","0.5","","von Schnering, H.G.; Wittmann, M.; Sommer, D.","Eu3 P4, Sr3 P4 und Ba3 P4, Polyphosphide mit P4(6-)-Ketten in einer alpha-Th Si2-Defektstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","510","","61","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539244","5.9193","","17.7582","","14.128","","90","","90","","90","","1485.08","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Ge5 Pr3","","- Ge4.84 Pr3 -","- Ge4.84 Pr3 -","- Ge38.72 Pr24 -","8","0.5","","Schobinger-Papamantellos, P.; de Mooij, D.B.; Buschow, K.H.J.","Modulated structure and ferromagnetic ordering in Pr Ge1.60 studied by neutron diffraction and magnetic measurements","Journal of Magnetism and Magnetic Materials","1990","89","","47","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","168086","2020-10-21","18:00:00",""
"1539750","21.808","","12.505","","4.419","","90","","90","","90","","1205.1","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","(N2 H5) Cl","","- Cl H5 N2 -","- Cl H5 N2 -","- Cl16 H80 N32 -","16","1","","Chekhlov, A.N.; Martynov, I.V.","Crystal structure of hydrazine hydrochloride","Kristallografiya","1988","33","","1010","1011","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540027","21.2057","0.0004","52.0922","0.001","9.9308","0.0002","90","","90","","90","","10970.1","0.4","123","","123","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23 H27 Cr N2 O6 P Si2 -","- C23 H27 Cr N2 O6 P Si2 -","- C368 H432 Cr16 N32 O96 P16 Si32 -","16","1","","Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2085","2094","10.1039/c5dt03404c","","","0.71073","MoKα","","0.0225","0.0217","","","0.0583","0.0586","","","","","","1.045","","","","has coordinates","176078","2020-10-21","18:00:00",""
"1540673","19.005","0.0011","42.763","0.002","10.6834","0.0006","90","","90","","90","","8682.5","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H30 Cu2 N4 O23 P2 W5 -","- C32 H30 Cu2 N4 O23 P2 W5 -","- C256 H240 Cu16 N32 O184 P16 W40 -","8","0.5","","Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui","Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1631","1637","10.1039/c5dt04412j","","","0.71073","MoKα","","0.024","0.0238","","","0.0624","0.0625","","","","","","1.082","","","","has coordinates","176023","2020-10-21","18:00:00",""
"1540857","18.423","","18.826","","6.652","","90","","90","","90","","2307.12","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Na1.94 (Ga1.94 Si3.06 O10) (H2 O)2","","- Ga1.94 H4 Na1.94 O12 Si3.06 -","- Ga1.938 H4 Na1.938 O12 Si3.062 -","- Ga15.504 H32 Na15.504 O96 Si24.496 -","8","0.5","","Xie, D.; Newsam, J.M.; Yelon, W.B.; Yang, J.","Synthesis and structural characterization of a hydrated gallosilicate zeolite with the NAT-framework","Materials Research Society Symposia Proceedings","1988","111","","147","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541399","21.252","","54.353","","10.09","","90","","90","","90","","11655.1","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","(((C H3)3 Si)2 Bi Cu (P (C H3)3)3)","","- C15 H45 Bi Cu P3 Si2 -","- C15 H45 Bi Cu P3 Si2 -","- C240 H720 Bi16 Cu16 P48 Si32 -","16","1","","Fenske, D.; Rothenberger, A.; Wieber, S.","Synthese und Kristallstruktur von ((Me3 Si)2 Bi Cu (P Me3)3) - the first complex with a bismuth-copper bond","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","929","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541822","16.006","","9.873","","15.198","","90","","90","","90","","2401.7","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","(N (C H3)4) Zn (H P O4) (H2 P O4)","","- C4 H15 N O8 P2 Zn -","- C4 H3 N O8 P2 Zn -","- C32 H24 N8 O64 P16 Zn8 -","8","0.5","","Wiebcke, M.; Marler, B.","Two polymorphs of a tetramethylammonium zincophosphate with diamond net-related frameworkks containing (H3 O4 (P)4) hydroxyl nests: solution-mediated and mechanochemical phase transformations and crystal structures","Solid State Sciences","2004","6","","213","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541974","20.83","","21.76","","11.41","","90","","90","","90","","5171.71","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","(Sn I4) (S8)2","","- I4 S16 Sn -","- I4 S16 Sn -","- I32 S128 Sn8 -","8","0.5","","Hawes, L.L.","A semi-bonded compound in series Sn I4 S8","Nature (London)","1962","196","","766","767","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542055","11.02","","19.74","","6.08","","90","","90","","90","","1322.61","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ca2 (H2 Si2 O7) (H2 O)","","- Ca2 H4 O8 Si2 -","- Ca2 O8 Si2 -","- Ca16 O64 Si16 -","8","0.5","","Tseng, J.K.; Hsueh, C.Y.; Peng, C.C.","The crystal structure of suolunite","Kexue Tongbao (= Bulletin der Wissenschaften)","1966","17","","45","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542453","17.743","0.0007","37.3075","0.0019","6.142","0.0002","90","","90","","90","","4065.7","0.3","120","2","119.99","","","","","","","","","4","F d d 2","F 2 -2d","43","","2-(Phenylsulfanyl)aniline","","- C12 H11 N S -","- C12 H11 N S -","- C192 H176 N16 S16 -","16","1","","Mdluli, Velabo; Golen, James A.; Manke, David R.","2-(Phenylsulfanyl)aniline","IUCrData","2016","1","1","x152489","","10.1107/S241431461502489X","","","0.71073","MoKα","","0.0258","0.0229","","","0.0538","0.0554","","","","","","1.098","","","","has coordinates,has Fobs","177500","2020-10-21","18:00:00",""
"1543820","30.399","0.006","12.677","0.003","14.356","0.003","90","","90","","90","","5532","2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H17 N -","- C18 H17 N -","- C288 H272 N16 -","16","1","","Zhou, Shuguang; Wang, Jinhu; Zhang, Feifei; Song, Chao; Zhu, Jin","A Versatile, Traceless C-H Activation-Based Approach for the Synthesis of Heterocycles.","Organic letters","2016","18","10","2427","2430","10.1021/acs.orglett.6b00949","","","0.71073","MoKα","","0.0733","0.0435","","","0.1013","0.119","","","","","","1.003","","","","has coordinates","184903","2020-10-21","18:00:00",""
"1543838","29.84","0.03","85.63","0.07","5.44","0.004","90","","90","","90","","13900","2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","5,10,15-Tris(pentafluorophenyl)-21,22-dimethylcorrole","","- C39 H15 F15 N4 -","- C39 H15 F15 N4 -","- C624 H240 F240 N64 -","16","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.78203","Synchrotron","","0.1793","0.0658","","","0.1219","0.1463","","","","","","0.736","","","","has coordinates,has disorder","184917","2020-10-21","18:00:00",""
"1543988","128.559","0.003","18.5908","0.0004","5.29842","0.0001","90","","90","","90","","12663.3","0.5","99.9","0.6","99.9","0.6","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H31 Cl2 N O3 S -","- C36 H31 Cl2 N O3 S -","- C576 H496 Cl32 N16 O48 S16 -","16","1","","Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants","Polym. Chem.","2016","7","36","5646","","10.1039/C6PY01337F","","x-ray","1.54184","CuKα","","0.046","0.0428","","","0.0969","0.0986","","","","","","1.004","","","","has coordinates,has disorder","187204","2020-10-21","18:00:00",""
"1544347","16.314","0.002","8.115","0.003","5.265","0.009","90","","90","","90","","697","1.2","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","P2O5 ortho1, Arbib et al., JSSC127, 35","","","- O5 P2 -","- O5 P2 -","- O40 P16 -","8","0.5","","Arbib, E.H.; Elouadi, B.; Chaminade, J.P.; Darriet, J.","New refinement of the crystal structure of o-P2O5","Journal of Solid State Chemistry","1996","127","","350","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","187519","2020-10-21","18:00:00",""
"1544782","36.662","0.003","37.055","0.004","5.1092","0.0005","90","","90","","90","","6940.9","1.2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H30 N4 O2 S2 Zn -","- C30 H30 N4 O2 S2 Zn -","- C240 H240 N32 O16 S16 Zn8 -","8","0.5","","Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J.","Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes","IUCrJ","2017","4","1","","","10.1107/S2052252516019072","","","0.71073","MoKα","","0.1057","0.0887","","","0.2644","0.2832","","","","","","1.186","","","","has coordinates,has disorder","189498","2020-10-21","18:00:00",""
"1545917","11.795","0.004","15.784","0.006","7.19","0.004","90","","90","","90","","1338.6","1","","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ca O10 P2 V2 -","- Ca O10 P2 V2 -","- Ca8 O80 P16 V16 -","8","0.5","","Lii, K. H.; Chueh, B. R.; Kang, H. Y.; Wang, S. L.","Synthesis and crystal structure of Ca(VO)2(PO4)2","Journal of Solid State Chemistry","1992","99","","72","77","10.1016/0022-4596(92)90290-C","","x-ray","0.71073","MoKα","","","0.0346","","","0.0346","","","","","","","0.931","","","","has coordinates","195911","2020-10-21","18:00:00",""
"1546246","92.6284","0.0008","24.32104","0.00017","13.71515","0.00011","90","","90","","90","","30897.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C123 H254 K2 N2 O32 Si8 U2 -","- C123 H254 K2 N2 O32 Si8 U2 -","- C984 H2032 K16 N16 O256 Si64 U16 -","8","0.5","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0255","0.0252","","","0.0639","0.0642","","","","","","1.034","","","","has coordinates,has disorder","197542","2020-10-21","18:00:00",""
"1546276","18.11287","0.00008","18.63331","0.00008","6.56618","0.00003","90","","90","","90","","2216.1","0.017","","","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- Al16 Ca5.33 H22.6 Na5.33 O91.3 Si24 -","- Al16 Ca2.608 H22.624 Na2.608 O91.312 Si24 -","- Al16 Ca2.608 H22.624 Na2.608 O91.312 Si24 -","1","0.0625","","Stahl, Kenny; Thomasson, Ronnie","The dehydration and rehydration processes in the natural zeolite mesolite studied by conventional and synchrotron X-ray powder diffraction","Zeolites","1994","14","","12","17","10.1016/0144-2449(94)90048-5","powder diffraction","x-ray","1.1999","","","","","","","","","","0.0208","","","","2.82","","","","has coordinates","197644","2020-10-21","18:00:00",""
"1546277","18.618","0.0009","19.0312","0.0009","6.5421","0.0003","90","","90","","90","","2318.02","0.19","","","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- Al16 Ca5.33 H46.4 Na5.33 O103.2 Si24 -","- Al16 Ca2.48 H46.768 Na2.48 O103.36 Si24 -","- Al16 Ca2.48 H46.768 Na2.48 O103.36 Si24 -","1","0.0625","","Stahl, Kenny; Thomasson, Ronnie","The dehydration and rehydration processes in the natural zeolite mesolite studied by conventional and synchrotron X-ray powder diffraction","Zeolites","1994","14","","12","17","10.1016/0144-2449(94)90048-5","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.0178","","","","5","","","","has coordinates","197645","2020-10-21","18:00:00",""
"1546330","23.536","0.012","42.75","0.02","5.126","0.003","90","","90","","90","","5158","5","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H10 N2 O3 -","- C16 H10 N2 O3 -","- C256 H160 N32 O48 -","16","1","","Tripathi, Chandra Bhushan; Ohtani, Tsuyoshi; Corbett, Michael T.; Ooi, Takashi","Photoredox ketone catalysis for the direct C‒H imidation and acyloxylation of arenes","Chem. Sci.","2017","","","","","10.1039/C7SC01700F","","","0.71075","MoKα","","0.0438","0.0372","","","0.0805","0.0816","","","","","","0.889","","","","has coordinates","197868","2020-10-21","18:00:00",""
"1546559","20.1291","0.0004","36.079","0.003","5.9649","0.0001","90","","90","","90","","4331.9","0.4","85","2","85","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C192 H288 O32 -","16","1","","Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.","Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.","Organic letters","2017","19","15","3958","3961","10.1021/acs.orglett.7b01622","","","1.54178","CuKα","","0.0277","0.0276","","","0.0685","0.0686","","","","","","1.091","","","","has coordinates","200763","2020-10-21","18:00:00",""
"1547100","16.0693","0.0016","54.037","0.005","10.9426","0.0011","90","","90","","90","","9501.9","1.6","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H30 N2 O4 S -","- C25 H30 N2 O4 S -","- C400 H480 N32 O64 S16 -","16","1","","Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing","Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.","Organic letters","2017","19","13","3620","3623","10.1021/acs.orglett.7b01609","","","0.71073","MoKα","","0.0358","0.032","","","0.0831","0.086","","","","","","1.043","","","","has coordinates","200619","2020-10-21","18:00:00",""
"1547993","32.757","0.002","34.249","0.002","31.088","0.002","90","","90","","90","","34877","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.0684","0.066","","","0.1824","0.1854","","","","","","1.057","","","","has coordinates,has disorder","203107","2020-10-21","18:00:00",""
"1547994","32.848","0.006","34.298","0.006","31.413","0.005","90","","90","","90","","35391","11","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.1222","0.1051","","","0.2742","0.2909","","","","","","1.036","","","","has coordinates,has disorder","203108","2020-10-21","18:00:00",""
"1548641","21.107","0.006","50.004","0.01","7.9376","0.0017","90","","90","","90","","8378","3","","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H28 B F2 N3 -","- C23 H28 B F2 N3 -","- C368 H448 B16 F32 N48 -","16","1","","Wenming Ren; Mingming Xu; Steven H. Liang; Huaijiang Xiang; Li Tang; Minkui Zhang; Dejun Ding; Xin Li; Haiyan Zhang; Youhong Hu","Discovery of a Novel Fluorescent Probe for the Sensitive Detection of beta-Amyloid Deposits","Biosensors and Bioelectronics","2016","75","","136","141","10.1016/j.bios.2015.08.030","","x-ray","0.71069","MoKα","","","0.06","","","0.135","","","","","","","0.95","","","","has coordinates","204978","2020-10-21","18:00:00",""
"1548667","28.1477","0.0008","17.3385","0.0007","26.1837","0.001","90","","90","","90","","12778.7","0.8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","","- C17 H10 Cl4 O -","- C17 H10 Cl4 O -","- C544 H320 Cl128 O32 -","32","2","HG4033","Dravida Thendral, Era; Mohamooda Sumaya, U.; Gomathi, S.; Biruntha, K.; Usha, G.","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","IUCrData","2018","3","1","x171822","","10.1107/S2414314617018223","","","0.71073","MoKα","","0.0637","0.04","","","0.0752","0.0854","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205175","2020-10-21","18:00:00",""
"1549086","12.2698","0.001","43.946","0.003","21.961","0.002","90","","90","","90","","11841.6","1.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C61 H90 B2 Cl Li O8 -","- C61 H90 B2 Cl Li O8 -","- C488 H720 B16 Cl8 Li8 O64 -","8","0.5","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1296","0.0854","","","0.1603","0.178","","","","","","1.121","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549123","27.5449","0.0003","55.4159","0.0008","10.2412","0.0015","90","","90","","90","","15632","2","193","","193","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C62 H34 F12 Fe N6 P2 -","- C62 H34 F12 Fe N6 P2 -","- C496 H272 F96 Fe8 N48 P16 -","8","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","","0.0399","0.0366","","0.0455","0.0428","0.0419","","","","","","1.0494","","","","has coordinates","228817","2020-10-21","18:00:00",""
"1549238","22.362","0.013","58.28","0.03","5.779","0.004","90","","90","","90","","7532","8","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(2-phenyl-2-(4-(phenylthio)phenyl)acetyl)oxazolidin-2-one","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C368 H304 N16 O48 S16 -","16","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.1154","0.0627","","","0.1219","0.1412","","","","","","1.018","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549403","29.697","0.004","33.356","0.005","5.4539","0.0008","90","","90","","90","","5402.5","1.3","170","","170","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H32 N6 O5 -","- C32 H32 N6 O5 -","- C256 H256 N48 O40 -","8","0.5","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.0556","0.0401","","","0.0857","0.092","","","","","","1.006","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549419","12.987","0.01","23.653","0.017","7.519","0.005","90","","90","","90","","2310","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Na2Ga2GeSSe5","Na2Ga2GeSSe5","","- Ga2 Ge Na2 S Se5 -","- Ga2 Ge Na2 S Se5 -","- Ga16 Ge8 Na16 S8 Se40 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0389","0.0376","","","0.0995","0.1013","","","","","","1.056","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549420","12.985","0.004","23.88","0.008","7.585","0.003","90","","90","","90","","2352","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2GeSe6","","- Ga2 Ge Na2 Se6 -","- Ga2 Ge Na2 Se6 -","- Ga16 Ge8 Na16 Se48 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0318","0.0272","","","0.0567","0.0576","","","","","","1.134","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549421","13.329","0.003","24.291","0.007","7.621","0.002","90","","90","","90","","2467.5","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2SnSe6","","- Ga2 Na2 Se6 Sn -","- Ga2 Na2 Se6 Sn -","- Ga16 Na16 Se48 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0321","0.0312","","","0.0842","0.0844","","","","","","1.695","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549422","13.264","0.004","23.936","0.007","7.514","0.002","90","","90","","90","","2385.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Na2Ga2SnSSe5","","- Ga2 Na2 S Se5 Sn -","- Ga2 Na2 S Se5 Sn -","- Ga16 Na16 S8 Se40 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0352","0.0338","","","0.0887","0.0892","","","","","","1.504","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1550507","52.0095","0.0012","19.2685","0.0005","8.6866","0.0002","90","","90","","90","","8705.2","0.4","150","2","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H28 Br2 Si Zr -","- C22 H28 Br2 Si Zr -","- C352 H448 Br32 Si16 Zr16 -","16","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0229","0.0227","","","0.0574","0.0575","","","","","","1.029","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550509","52.131","0.0014","19.346","0.0005","8.7251","0.0003","90","","90","","90","","8799.5","0.4","150","2","150.01","0.16","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H34 Si Zr -","- C24 H34 Si Zr -","- C384 H544 Si16 Zr16 -","16","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene","Polymer Chemistry","2019","10","11","1386","","10.1039/C8PY01796D","","x-ray","1.54184","CuKα","","0.0185","0.0181","","","0.0417","0.0421","","","","","","1.052","","","","has coordinates","225351","2020-10-21","18:00:00",""
"1550804","26.427","0.003","46.619","0.005","12.8792","0.0011","90","","90","","90","","15867","3","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H28 Cl8 N4 O4 Zr -","- C40 H28 Cl8 N4 O4 Zr -","- C640 H448 Cl128 N64 O64 Zr16 -","16","1","","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","","0.0691","0.0455","","","0.101","0.1134","","","","","","1.024","","","","has coordinates","225342","2020-10-21","18:00:00",""
"1551782","25.057","0.003","42.713","0.005","5.792","0.001","90","","90","","90","","6198.9","1.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(4-fluorophenyl)-2-hydroxy-2-methyl-3,4-dihydropyrano[3,2-c] chromen-5(2H)-one","","- C19 H15 F O4 -","- C19 H15 F O4 -","- C304 H240 F16 O64 -","16","1","","PENKOVA, Anita; RETAILLEAU, Pascal; MANOLOV, Ilia","Crystal Structure of (4-(4-Fluorophenyl)-2-hydroxy-2-methyl-3,4-dihydropyrano[3,2-c]chromen-5(2H)-one","X-ray Structure Analysis Online","2009","25","","89","","10.2116/xraystruct.25.89","","","0.71069","MoKα","","0.0444","0.0326","","","0.0752","0.0826","","","","","","1.072","","","","has coordinates","216394","2020-10-21","18:00:00",""
"1551875","19.853","0.0011","42.232","0.002","14.782","0.0012","90","","90","","90","","12393.7","1.4","133","2","133","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C29 H46 Ir N5 P2 -","- C29 H46 Ir N5 P2 -","- C464 H736 Ir16 N80 P32 -","16","1","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.081","0.0641","","","0.1434","0.1499","","","","","","0.98","","","","has coordinates","216516","2020-10-21","18:00:00",""
"1551892","25.0146","0.0009","39.6995","0.0013","12.18","0.0004","90","","90","","90","","12095.6","0.7","170","2","170","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H80 Fe4 N3 S4 Te4 -","- C48 H80 Fe4 N3 S4 Te4 -","- C384 H640 Fe32 N24 S32 Te32 -","8","0.5","","Wittkamp, Florian; Mishra, Nakul; Wang, Hongxin; Wille, Hans-Christian; Steinbrügge, René; Kaupp, Martin; Cramer, Stephen P.; Apfel, Ulf-Peter; Pelmenschikov, Vladimir","Insights from 125Te and 57Fe Nuclear Resonance Vibrational Spectroscopy: a [4Fe-4Te] Cluster from Two Points of View","Chemical Science","2019","","","","","10.1039/C9SC02025J","","","0.71073","MoKα","","0.0313","0.0259","","","0.0522","0.0548","","","","","","1.089","","","","has coordinates","278190","2022-09-26","15:36:30",""
"1551957","20.542","0.004","74.483","0.015","5.9207","0.0012","90","","90","","90","","9059","3","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C480 H464 N16 O32 -","16","1","","Zhao, Dongbing; Zhang, Yun; Chen, Gong","Three-Component Vicinal-Diarylation of Alkenes via Directed Transmetalation of Arylboronic Acids","Chemical Science","2019","","","","","10.1039/C9SC02182E","","","0.71073","MoKα","","0.058","0.0487","","","0.1187","0.1307","","","","","","1.047","","","","has coordinates","216718","2020-10-21","18:00:00",""
"1552504","39.763","0.002","37.788","0.002","8.9491","0.0005","90","","90","","90","","13446.6","1.2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H22 B N -","- C20 H22 B N -","- C640 H704 B32 N32 -","32","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0618","0.0468","","","0.1267","0.1391","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1554058","12.663","0.0017","33.528","0.004","12.2027","0.0012","90","","90","","90","","5180.8","1.1","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-(piperidin-1-yl(pyridin-4-yl)methyl)urea","","- C12 H18 N4 O -","- C12 H18 N4 O -","- C192 H288 N64 O16 -","16","1","","Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam","Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl","The Journal of Physical Chemistry C","2015","119","38","22025","","10.1021/acs.jpcc.5b05788","","x-ray","0.71073","MoKα","","0.0705","0.0533","","","0.1345","0.1543","","","","","","1.063","","","","has coordinates","236513","2020-10-21","18:00:00",""
"1554059","12.2079","0.0011","34.449","0.003","11.8236","0.0006","90","","90","","90","","4972.4","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","morpholinopyridinylurea","1-(morpholino(pyridin-4-yl)methyl)urea","","- C11 H16 N4 O2 -","- C11 H16 N4 O2 -","- C176 H256 N64 O32 -","16","1","","Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam","Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl","The Journal of Physical Chemistry C","2015","119","38","22025","","10.1021/acs.jpcc.5b05788","","x-ray","0.71073","MoKα","","0.0546","0.045","","","0.1677","0.1969","","","","","","0.818","","","","has coordinates","236514","2020-10-21","18:00:00",""
"1554517","23.63","0.002","42.848","0.004","5.8546","0.0005","90","","90","","90","","5927.8","0.9","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C304 H256 O32 -","16","1","","Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua","Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds","Organic Chemistry Frontiers","2019","6","4","437","","10.1039/C8QO01139G","","","0.71073","MoKα","","0.0497","0.0396","","","0.0922","0.0979","","","","","","1.073","","","","has coordinates","237304","2020-10-21","18:00:00",""
"1554722","15.9825","0.0007","9.7302","0.0004","13.6524","0.0004","90","","90","","90","","2123.12","0.14","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","0.5","","Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed","Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives","Organic Chemistry Frontiers","2019","6","6","780","","10.1039/C9QO00044E","","","1.54178","CuKα","","0.0265","0.0256","","","0.0616","0.0621","","","","","","1.104","","","","has coordinates,has disorder","238072","2020-10-21","18:00:00",""
"1554797","18.923","0.011","58.36","0.03","11.127","0.006","90","","90","","90","","12288","12","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C29 H49 B2 Co N2 O4 -","- C29 H49 B2 Co N2 O4 -","- C464 H784 B32 Co16 N32 O64 -","16","1","","Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto","Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.","Organic letters","2015","17","5","1212","1215","10.1021/acs.orglett.5b00163","","","0.71075","MoKα","","0.0539","0.0487","","","0.1098","0.1144","","","","","","1.076","","","","has coordinates,has disorder","238124","2020-10-21","18:00:00",""
"1555106","37.2102","0.0015","18.06","0.0005","6.8155","0.0003","90","","90","","90","","4580.1","0.3","291","2","291","2","","","","","","","see text","3","F d d 2","F 2 -2d","43","","(1S,2S,3R,7R,9S,11R,13S,17R)-6,8,10,12,14- pentaoxapentacyclo[9.6.0.0^2,9^.0^3,7^.0^13,17^]heptadecan-5-one","","- C12 H14 O6 -","- C12 H14 O6 -","- C192 H224 O96 -","16","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","1.5418","CuKα","","0.0414","0.0391","","","0.1012","0.1035","","","","","","1.06","","","","has coordinates,has disorder","238325","2020-10-21","18:00:00",""
"1555329","24.4402","0.0007","52.631","0.004","4.31801","0.00013","90","","90","","90","","5554.3","0.5","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C272 H208 Cl16 O32 -","16","1","","Suzuki, Takeyuki; Ismiyarto, ?; Ishizaka, Yuka; Zhou, Da-Yang; Asano, Kaori; Sasai, Hiroaki","One-Pot Catalysis Using a Chiral Iridium Complex/Brønsted Base: Catalytic Asymmetric Synthesis of Catalponol.","Organic letters","2015","17","21","5176","5179","10.1021/acs.orglett.5b02480","","","1.54187","CuKα","","","0.0493","","","","0.1249","","","","","","1.044","","","","has coordinates","238492","2020-10-21","18:00:00",""
"1556194","24.479","0.003","35.736","0.004","6.333","0.0008","90","","90","","90","","5540","1.2","113","2","113","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C256 H320 O48 -","16","1","","Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.","Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.","Organic letters","2013","15","12","3130","3133","10.1021/ol401335u","","","0.71073","MoKα","","0.0622","0.0448","","","0.1055","0.1129","","","","","","1.022","","","","has coordinates,has disorder","243548","2020-10-21","18:00:00",""
"1556617","18.055","0.003","26.458","0.005","16.438","0.003","90","","90","","90","","7852","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H26 Cu I N6 -","- C17 H26 Cu I N6 -","- C272 H416 Cu16 I16 N96 -","16","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0581","0.0434","","","0.0951","0.1043","","","","","","1.095","","","","has coordinates","245254","2020-10-21","18:00:00",""
"1556645","28.3736","0.0016","57.198","0.003","10.0055","0.0005","90","","90","","90","","16238.1","1.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H55 B2 Br N2 P2 -","- C40 H55 B2 Br N2 P2 -","- C640 H880 B32 Br16 N32 P32 -","16","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0483","0.0368","","","0.0701","0.0752","","","","","","0.974","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1557292","38.7645","0.0003","11.93147","0.00014","7.70847","0.00008","90","","90","","90","","3565.3","0.06","160","2","160","2","","","","","","","","3","F d d 2","F 2 -2d","43","","1-(S-tetrazin-3-yl)-1H-indole","","- C10 H7 N5 -","- C10 H7 N5 -","- C160 H112 N80 -","16","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.023","0.0228","","","0.0607","0.0608","","","","","","1.072","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1558267","31.663","0.015","9.65","0.005","15.848","0.007","90","","90","","90","","4842","4","","","293","","","","","","","","","6","F d d 2","F 2 -2d","43","cis-[Cr(cycb)(C3H4O3)]ClO4","","","- C19 H40 Cl Cr N4 O7 -","- C19 Cl Cr N4 O7 -","- C152 Cl8 Cr8 N32 O56 -","8","0.5","","Bang, E.; Eriksen, J.; Monsted, L.; Monsted, O.","Mechanism of Lactic Acid Formation Catalyzed by a Macrocyclic Chromium(III) Complex. A Comparison with the Glyoxalase I Enzyme","Acta Chemica Scandinavica","1994","48","","12","19","10.3891/acta.chem.scand.48-0012","","x-ray","0.71069","MoKα","","","0.044","","","0.059","","","","","","","","","","","has coordinates","253036","2020-10-21","18:00:00",""
"1558328","21.561","0.003","35.637","0.005","11.1216","0.0017","90","","90","","90","","8545","2","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","catena-poly[aqua(mu-4,4'-bipyridine)(mu-acetato)(uracil-1-acetato)copper(II)] trihydrate","","- C18 H22 Cu N4 O9 -","- C18 H22 Cu N4 O9 -","- C288 H352 Cu16 N64 O144 -","16","1","","Vegas, V. G.; Beobide, G.; Castillo, O.; Reyes, E.; Gómez-García, C J; Zamora, F.; Amo-Ochoa, P","A bioinspired metal-organic approach to cross-linked functional 3D nanofibrous hydro- and aero-gels with effective mixture separation of nucleobases by molecular recognition.","Nanoscale","2020","12","27","14699","14707","10.1039/d0nr04166a","","","0.71073","MoKα","","0.1089","0.057","","","0.1185","0.1395","","","","","","1.034","","","","has coordinates","255031","2020-10-21","18:00:00",""
"1559018","24.7168","0.0008","16.6156","0.0005","8.3805","0.0003","90","","90","","90","","3441.7","0.2","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","","- C10 H32 Cl2 N4 Ni O2 -","- C10 H32 Cl2 N4 Ni O2 -","- C80 H256 Cl16 N32 Ni8 O16 -","8","0.5","WM4136","Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride","IUCrData","2020","5","9","x201182","","10.1107/S2414314620011827","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","256244","2020-10-21","18:00:00",""
"1560760","37.712","0.006","13.024","0.002","15.254","0.003","90","","90","","90","","7492","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","MA28","","","- C35 H30 F6 N2 O7 Pd2 -","- C35 H30 F6 N2 O7 Pd2 -","- C280 H240 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1065","0.0512","","","0.1106","0.1377","","","","","","1.099","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560763","37.337","0.011","13.419","0.004","15.197","0.005","90","","90","","90","","7614","4","299","0.1","299","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","MA34","","","- C37 H34 F6 N2 O7 Pd2 -","- C37 H34 F6 N2 O7 Pd2 -","- C296 H272 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1352","0.056","","","0.1243","0.1726","","","","","","1.025","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560792","18.517","0.004","19.037","0.004","13.011","0.003","90","","90","","90","","4586.5","1.7","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Li2 O12 P4 Rb2 -","- Li2 O12 P4 Rb2 -","- Li32 O192 P64 Rb32 -","16","1","","Baiheti, Tuohetijiang; Li, Hao; Yang, Zhihua; Han, Shujuan; Wang, Ying; Pan, Shilie","Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties","Journal of Solid State Chemistry","2018","266","","150","154","10.1016/j.jssc.2018.07.015","","","0.71073","MoKα","","0.0555","0.0387","","","0.0716","0.0791","","","","","","0.915","","","","has coordinates","262394","2021-03-03","10:24:30",""
"1560793","19.009","0.013","19.402","0.013","13.18","0.009","90","","90","","90","","4861","6","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Cs2 Li2 O12 P4 -","- Cs2 Li2 O12 P4 -","- Cs32 Li32 O192 P64 -","16","1","","Baiheti, Tuohetijiang; Li, Hao; Yang, Zhihua; Han, Shujuan; Wang, Ying; Pan, Shilie","Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties","Journal of Solid State Chemistry","2018","266","","150","154","10.1016/j.jssc.2018.07.015","","","0.71073","MoKα","","0.0721","0.0602","","","0.1477","0.156","","","","","","1.056","","","","has coordinates","262394","2021-03-03","10:24:31",""
"1561386","10.4145","0.0005","15.5824","0.0007","6.0437","0.0003","90","","90","","90","","980.79","0.08","293","","293","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Al Pd2 Sr2 -","- Al Pd2 Sr2 -","- Al8 Pd16 Sr16 -","8","0.5","","Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P.T.; Janka, Oliver","Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al","Journal of Solid State Chemistry","2016","242","","143","150","10.1016/j.jssc.2016.07.019","","x-ray","0.71073","MoKα","","0.0262","0.0174","","","0.0279","0.0291","","","","1.03","1.03","0.98","","","","has coordinates","263486","2021-03-31","08:56:01",""
"1561496","12.9512","0.0005","23.5801","0.0005","7.2851","0.0002","90","","90","","90","","2224.8","0.12","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Na2 S6 Sn2 Zn -","- Na2 S6 Sn2 Zn -","- Na16 S48 Sn16 Zn8 -","8","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0199","0.0192","","","0.0429","0.0433","","","","","","1.092","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561497","12.4051","0.0011","22.7301","0.0014","7.2737","0.0005","90","","90","","90","","2051","0.3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Na2 S6 -","- Ga2 Ge Na2 S6 -","- Ga16 Ge8 Na16 S48 -","8","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0389","0.0325","","","0.0595","0.0623","","","","","","1.037","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561498","12.7376","0.0013","23.142","0.002","7.2822","0.001","90","","90","","90","","2146.6","0.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Na2 S6 Sn -","- Ga2.01 Na2 S6 Sn0.99 -","- Ga16.08 Na16 S48 Sn7.92 -","8","0.5","","Yohannan, Jinu P.; Vidyasagar, Kanamaluru","Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides","Journal of Solid State Chemistry","2016","238","","147","155","10.1016/j.jssc.2016.03.026","","","0.71073","MoKα","","0.0565","0.0405","","","0.0826","0.0916","","","","","","1.031","","","","has coordinates","263903","2021-04-06","09:19:03",""
"1561813","17.6942","0.0004","34.1437","0.0006","10.04098","0.00018","90","","90","","90","","6066.2","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","tridecabarium hexaboron tetrasilicon tetradecanitrogen","","- B12 Ba26 N27 Si5 -","- B12 Ba26 N27 Si5 -","- B48 Ba104 N108 Si20 -","4","0.25","","Takayuki, Hashimoto; Yamane, Hisanori; Becker, Nils; Dronskowski, Richard","Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells","Journal of Solid State Chemistry","2015","230","","390","396","10.1016/j.jssc.2015.07.022","","","0.71075","MoKα","","0.0174","0.0168","","","0.0382","0.0384","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1561906","10.028","0.002","53.353","0.009","5.9215","0.0011","90","","90","","90","","3168.1","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","barium aluminum silicon nitride","monobarium trialuminum tetrasilicon nonanitrogen","","- Al3 Ba0.99 Eu0.01 N9 Si4 -","- Al3.0002 Ba0.99 Eu0.01 N9 Si3.9998 -","- Al48.0032 Ba15.84 Eu0.16 N144 Si63.9968 -","16","1","","Yamane, Hisanori; Yoshimura, Fumitaka","Synthesis, crystal structure and photoluminescence of (Ba0.99Eu0.01)Al3Si4N9","Journal of Solid State Chemistry","2015","228","","258","265","10.1016/j.jssc.2015.04.046","","","0.71073","MoKα","","0.115","0.0785","","","0.1942","0.2203","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1562598","22.5309","0.0019","27.5242","0.0019","6.8757","0.0006","90","","90","","90","","4263.9","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H14 N6 O9 Pb -","- C20 H14 N6 O9 Pb -","- C160 H112 N48 O72 Pb8 -","8","0.5","","Yu, Xiao-Yang; Xin, Rui; Gao, Wei-Ping; Wang, Na; Zhang, Xiao; Yang, Yan-Yan; Qu, Xiao-Shu","Three PbII coordination polymers based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid: Syntheses, crystal structures, and fluorescent properties","Journal of Solid State Chemistry","2013","204","","314","320","10.1016/j.jssc.2013.06.018","","","0.71073","MoKα","","0.0343","0.0284","","","0.0475","0.0504","","","","","","1.027","","","","has coordinates","265272","2021-05-17","08:30:46",""
"1563009","5.8061","0.0005","37.762","0.003","9.5936","0.0009","90","","90","","90","","2103.4","0.3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","europium strontium aluminum silicon nitride oxide","","","- Al1.2 Eu0.06 N4.8 O1.2 Si2.8 Sr0.94 -","- Al1.2 Eu0.06 N4.8 O1.2 Si2.8 Sr0.94 -","- Al19.2 Eu0.96 N76.8 O19.2 Si44.8 Sr15.04 -","16","1","","Yamane, Hisanori; Shimooka, Satoshi; Uheda, Kyota","Synthesis, crystal structure and photoluminescence of a new Eu-doped Sr containing sialon (Sr0.94Eu0.06)(Al0.3Si0.7)4(N0.8O0.2)6","Journal of Solid State Chemistry","2012","190","","264","270","10.1016/j.jssc.2012.02.055","","","0.71075","MoKα","","0.0721","0.0521","","","0.1364","0.1521","","","","","","1.108","","","","has coordinates,has Fobs","265635","2021-05-31","09:18:07",""
"1563182","12.7423","0.0008","34.469","0.002","7.2327","0.0005","90","","90","","90","","3176.7","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H12 N2 O8 Zn -","- C16 H12 N2 O8 Zn -","- C128 H96 N16 O64 Zn8 -","8","0.5","","Yang, Caiqin; Wang, Jing; Wang, Wei; Zhan, Wenhong","Deliberate design of an acentric diamondoid metal-organic network","Journal of Solid State Chemistry","2011","184","9","2485","2489","10.1016/j.jssc.2011.07.018","","","0.71073","MoKα","","0.0308","0.0292","","","0.0763","0.0774","","","","","","1.081","","","","has coordinates","266212","2021-06-07","08:36:52",""
"1563857","22.456","0.014","24.961","0.016","12.63","0.008","90","","90","","90","","7079","8","293","","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H25 Cu Er N5 O9 -","- C28 H25 Cu Er N5 O9 -","- C224 H200 Cu8 Er8 N40 O72 -","8","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0473","0.0404","","","0.1069","0.1134","","","","","","1.112","","","","has coordinates,has Fobs","266873","2021-07-01","09:37:18",""
"1564189","38.026","0.003","8.3166","0.0007","21.2793","0.0019","90","","90","","90","","6729.5","1","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C128 H136 N16 O44 Zn8 -","- C128 H136 N16 O44 Zn8 -","- C256 H272 N32 O88 Zn16 -","2","0.125","","Buasakun, Jiraporn; Srilaoong, Phakinee; Chainok, Kittipong; Raksakoon, Chadchalerm; Rattanakram, Ramida; Duangthongyou, Tanwawan","Novel zinc(II) coordination polymers (CPs) based on flexible aliphatic carboxylic acids and an N-donor ligand for fluorescence sensors","Inorganica Chimica Acta","2020","511","","119839","","10.1016/j.ica.2020.119839","","","0.71073","MoKα","","0.0794","0.0565","","","0.1099","0.1178","","","","","","1.0327","","","","has coordinates,has disorder","267595","2021-07-16","09:40:22",""
"1564245","18.9421","0.001","44.537","0.003","7.8882","0.0005","90","","90","","90","","6654.7","0.7","193","2","193","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C51 H32 O2 -","- C51 H32 O2 -","- C408 H256 O16 -","8","0.5","","Xiao, Fuming; Liu, Xiaoqing; Lin, Kangkang; Zhou, Yunbing; Gao, Wenxia; Lei, Yunxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Pyranone–Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04340","","","0.71073","MoKα","","0.0758","0.056","","","0.1431","0.1588","","","","","","1.09","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564730","18.909","0.002","26.36","0.003","4.9742","0.0005","90","","90","","90","","2479.3","0.5","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","Sn(maltol)2","Sn(maltol)2","","- C12 H10 O6 Sn -","- C12 H10 O6 Sn -","- C96 H80 O48 Sn8 -","8","0.5","","Hu, Shuaifeng; Truong, Minh Anh; Otsuka, Kento; Handa, Taketo; Yamada, Takumi; Nishikubo, Ryosuke; Iwasaki, Yasuko; Saeki, Akinori; Murdey, Richard; Kanemitsu, Yoshihiko; Wakamiya, Atsushi","Mixed lead‒tin perovskite films with >7 μs charge carrier lifetimes realized by maltol post-treatment","Chemical Science","2021","","","","","10.1039/D1SC04221A","","","0.71073","MoKα","","0.0156","0.0146","","","0.0329","0.0333","","","","","","1.044","","","","has coordinates","269325","2021-09-27","22:09:42",""
"1565222","19.8009","0.0005","13.2812","0.0003","14.8388","0.0004","90","","90","","90","","3902.3","0.17","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H28 In N3 S2 Se -","- C13 H28 In N3 S2 Se -","- C104 H224 In8 N24 S16 Se8 -","8","0.5","","Park, Joo-Hyun; Chung, Taek-Mo; Park, Bo Keun; Kim, Chang Gyoun","Indium complexes with aminothiolate ligands as single precursors for indium chalcogenides","Inorganica Chimica Acta","2020","505","","119504","","10.1016/j.ica.2020.119504","","","0.71073","MoKα","","0.0139","0.0132","","","0.0344","0.0348","","","","","","0.763","","","","has coordinates","270656","2021-11-15","10:18:19",""
"1565615","12.1384","0.0005","65.81","0.002","11.2189","0.0005","90","","90","","90","","8962","0.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H26 Hg N2 O4 S2 -","- C20 H26 Hg N2 O4 S2 -","- C320 H416 Hg16 N32 O64 S32 -","16","1","","Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato","Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent","Inorganica Chimica Acta","2020","501","","119263","","10.1016/j.ica.2019.119263","","x-ray","1.54184","CuKα","","0.0833","0.0808","","","0.2198","0.2227","","","","","","1.061","","","","has coordinates","271291","2021-12-09","09:19:35",""
"1566274","11.3424","0.0002","25.8718","0.0006","11.9601","0.0003","90","","90","","90","","3509.67","0.13","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H18 Fe O2 -","- C24 H18 Fe O2 -","- C192 H144 Fe8 O16 -","8","0.5","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","x-ray","0.71073","MoKα","","0.0148","0.0138","","","0.0312","0.0317","","","","","","1.0697","","","","has coordinates","274966","2022-05-05","20:26:49",""
"1567009","18.0776","0.0002","48.2301","0.0005","4.5424","0.0002","90","","90","","90","","3960.45","0.18","219.9","0.4","219.9","0.4","","","","","","","","4","F d d 2","F 2 -2d","43","","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","","- C21 H18 Br2 N4 -","- C21 H18 Br2 N4 -","- C168 H144 Br16 N32 -","8","0.5","BX4020","Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","IUCrData","2022","7","5","x220526","","10.1107/S2414314622005260","","x-ray","1.54178","CuKα","","0.0224","0.0223","","","0.0533","0.0533","","","","","","1.158","","","","has coordinates,has Fobs","275595","2022-05-21","02:15:44",""
"1567549","11.8514","0.001","30.185","0.003","7.533","0.001","90","","90","","90","","2694.8","0.5","193","","193","","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Hydroxyindolin-2-one","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C128 H112 N16 O32 -","16","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.0477","0.0384","","","0.0902","0.1027","","","","","","0.929","","","","has coordinates","278409","2022-10-07","00:48:46",""
"1567726","38.8063","0.0006","15.6732","0.0003","9.8717","0.0002","90","","90","","90","","6004.15","0.19","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H17 F O -","- C20 H17 F O -","- C320 H272 F16 O16 -","16","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0394","0.0384","","","0.0993","0.1014","","","","","","1.051","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1568059","34.9018","0.0013","59.974","0.003","7.6088","0.0003","90","","90","","90","","15926.7","1.2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C52 H49 N4 O4 -","- C52 H49 N4 O4 -","- C832 H784 N64 O64 -","16","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1163","0.0706","","","0.1505","0.1863","","","","","","1.015","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568626","41.7016","0.0013","15.1215","0.0005","19.8592","0.0005","90","","90","","90","","12523","0.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H20 Co O5 P2 -","- C27 H20 Co O5 P2 -","- C432 H320 Co16 O80 P32 -","16","1","","Huang, Weiheng; Jackstell, Ralf; Spannenberg, Anke; Beller, Matthias","An improved cobalt-catalysed alkoxycarbonylation of olefins using secondary phosphine oxide promotors","Catalysis Science & Technology","2023","13","8","2475","2479","10.1039/D3CY00066D","","","1.54178","CuKα","","0.0551","0.0502","","","0.1279","0.1317","","","","","","1.018","","","","has coordinates,has disorder","283006","2023-05-04","23:54:29",""
"1569040","28.7667","0.001","31.0967","0.0011","22.7773","0.0008","90","","90","","90","","20375.4","1.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H21 I2 N3 O5 Zn -","- C23 H21 I2 N3 O5 Zn -","- C736 H672 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0862","0.0615","","","0.1406","0.1565","","","","","","1.031","","","","has coordinates,has disorder","283525","2023-05-05","15:42:39",""
"1569041","28.6666","0.0011","31.2803","0.0015","22.6871","0.0011","90","","90","","90","","20343.5","1.6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H19 I2 N3 O5 Zn -","- C23 H19 I2 N3 O5 Zn -","- C736 H608 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0543","0.0449","","","0.0951","0.0999","","","","","","1.048","","","","has coordinates,has disorder","283526","2023-05-05","15:43:25",""
"1569253","25.9591","0.0003","13.17384","0.00015","14.86566","0.00017","90","","90","","90","","5083.77","0.1","170","2","170","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C21 H33 I Mo N2 O3 P2 -","- C21 H33 I Mo N2 O3 P2 -","- C168 H264 I8 Mo8 N16 O24 P16 -","8","0.5","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.0378","0.0374","","","0.1007","0.101","","","","","","1.087","","","","has coordinates,has disorder","284833","2023-07-05","08:45:36",""
"1569296","43.9853","0.0006","47.129","0.0006","13.0964","0.0002","90","","90","","90","","27148.6","0.7","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H81 F6 N6 O Sb -","- C72 H81 F6 N6 O Sb -","- C1152 H1296 F96 N96 O16 Sb16 -","16","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.0749","0.0489","","","0.0879","0.0948","","","","","","1.038","","","","has coordinates","284562","2023-06-29","09:06:58",""
"1569569","37.842","0.003","50.545","0.004","8.9837","0.0006","90","","90","","90","","17183","2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C25 H12 F9 N -","- C25 H12 F9 N -","- C800 H384 F288 N32 -","32","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.066","0.0564","","","0.1408","0.1475","","","","","","1.054","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569803","60.5386","0.0009","62.2276","0.001","5.9086","0.0001","90","","90","","90","","22258.7","0.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H31 N2 O7 Zn2 -","- C47 H31 N2 O7 Zn2 -","- C752 H496 N32 O112 Zn32 -","16","1","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.098","0.0866","","","0.2656","0.2826","","","","","","1.01","","","","has coordinates","286223","2023-09-06","03:35:26",""
"1569831","57.683","0.004","12.1111","0.0008","50.915","0.003","90","","90","","90","","35569","4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","tetramethoxy[12]cycloparaphenylene","","","- C78 H57 Cl3 O4 -","- C78 H57 Cl3 O4 -","- C1248 H912 Cl48 O64 -","16","1","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.71073","MoKα","","0.18","0.1202","","","0.3064","0.3545","","","","","","1.05","","","","has coordinates,has disorder","286715","2023-10-05","23:52:17",""
"1570038","18.402","0.002","33.377","0.004","17.963","0.002","90","","90","","90","","11033","2","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate]","","- C26 H30 Cu N4 O5 -","- C26 H28 Cu N4 O5 -","- C416 H448 Cu16 N64 O80 -","16","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate], a coordination polymer with twofold interpenetrated cds topology networks","IUCrData","2023","8","10","","","10.1107/S2414314623008556","","","0.71073","MoKα","","0.1247","0.1025","","","0.2709","0.3024","","","","","","1.164","","","","has coordinates,has disorder","286652","2023-10-04","02:04:08",""
"1570055","15.1011","0.001","48.312","0.003","4.2805","0.0004","90","","90","","90","","3122.9","0.4","93","","93","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H8 Cl2 O2 S3 -","- C14 H8 Cl2 O2 S3 -","- C112 H64 Cl16 O16 S24 -","8","0.5","","Aitken, R. Alan; Campbell, Alexandra H.; Fletcher, Chloé E.; Slawin, Alexandra M. Z.","2,2′-Trisulfanediyldibenzoyl Chloride","Molbank","2023","2023","3","M1731","","10.3390/M1731","","","0.71073","MoKα","","0.0314","0.0281","","","0.0705","0.072","","","","","","0.924","","","","has coordinates","286824","2023-10-06","16:27:58",""
"1570800","20.852","0.004","44.031","0.012","13.785","0.004","90","","90","","90","","12656","6","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","(SIMes)AgHMDS","(SIMes)Ag(N(SiMe3)2)","","- C27 H44 Ag N3 Si2 -","- C27 H44 Ag N3 Si2 -","- C432 H704 Ag16 N48 Si32 -","16","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","","0.71073","MoKα","","0.0373","0.0329","","","0.0623","0.0642","","","","","","1.096","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570997","27.8745","0.0009","83.475","0.003","7.5368","0.0002","90","","90","","90","","17536.8","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Ethyl-3,3-dimethylspiro[indoline-2,8'-phenaleno[1,9-<i>fg</i>]chromene]","","- C30 H25 N O -","- C30 H25 N O -","- C960 H800 N32 O32 -","32","2","HB4461","Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang","1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]","IUCrData","2024","9","2","","","10.1107/S2414314624001378","","","1.54178","CuKα","","0.0382","0.0319","","","0.0836","0.0875","","","","","","1.047","","","","has coordinates","289816","2024-02-14","03:14:24",""
"1571295","29.9395","0.0003","27.5788","0.0003","7.07968","0.00009","90","","90","","90","","5845.66","0.11","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H15.25 F N2 O2.125 -","- C17 H15.25 F N2 O2.125 -","- C272 H244 F16 N32 O34 -","16","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.0978","0.0982","","","","","","1.087","","","","has coordinates","291566","2024-05-05","01:38:03",""
"1571499","6.7497","0.0009","52.478","0.007","18.832","0.003","90","","90","","90","","6670.5","1.6","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","23007z","13-Nitrobenzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenoxazine","","- C22 H11 N3 O3 S -","- C22 H11 N3 O3 S -","- C352 H176 N48 O48 S16 -","16","1","NX4001","Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad","13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine","IUCrData","2024","9","4","","","10.1107/S2414314624002992","","","0.71073","MoKα","","0.0366","0.0327","","","0.0841","0.087","","","","","","1.029","","","","has coordinates","291393","2024-04-27","02:09:55",""
"1571588","10.08","0.001","79.383","0.008","10.604","0.001","90","","90","","90","","8485.1","1.4","","","298","","","","100","","","","","4","F d d 2","F 2 -2d","43","Na2Si20O40(OH)2*8H2O","","kenyaite","- H18 Na2 O50 Si20 -","- Na2 O52 Si20 -","- Na16 O416 Si160 -","8","0.5","","Marler, B.; Grosskreuz, I.; Gies, H.","The crystal structure of synthetic kenyaite, Na2Si20O40(OH)2*8H2O","Journal of Solid State Chemistry","2021","","","1","12","10.1016/j.jssc.2021.122215","","","","","","","","","","","","","","","","","","","","","has coordinates","291776","2024-05-08","22:09:14",""
"2000815","26.374","0.003","12.22","0.002","16.278","0.003","90","","90","","90","","5246.2","1.4","","","","","","","","","","","","6","F d d 2","F 2 -2d","","","","","- C26 H26 Cl2 N2 O2 Zn -","- C32 H12 Cl2 N2 O2 Zn -","- C256 H96 Cl16 N16 O16 Zn8 -","8","0.5","BX0556","Hajjem, B.; Kallel, A.; Svoboda, I.; Sakurai, J.","Structure of di(5-β-methylallyl-2-phenyl-1,3-oxazole)zinc(II) dichloride","Acta Crystallographica Section C","1992","48","6","1002","1004","10.1107/S0108270191013343","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000846","23.659","0.008","32.794","0.01","10.042","0.005","90","","90","","90","","7791","5","","","","","","","","","","","","7","F d d 2","","","","","","- C8 H24 Cl2 F6 Ir N2 P3 -","- C8 H24 Cl2 F6 Ir N2 P3 -","- C128 H384 Cl32 F96 Ir16 N32 P48 -","16","1","AS0553","Uekusa, H.; Ohba, S.; Simonsen, K. P.; Kojima, M.; Fujita, J.","Structure of <i>trans</i>(Cl,Cl),<i>trans</i>(P,P)-dichlorobis{[2-(dimethylphosphino)ethyl]amine-<i>N</i>,<i>P</i>}iridium(III) hexafluorophosphate, [IrCl~2~(edmp)~2~].PF~6~","Acta Crystallographica Section C","1992","48","6","1111","1112","10.1107/S0108270191013185","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001422","31.535","0.008","14.313","0.005","9.4461","0.0003","90","","90","","90","","4263.6","1.8","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C7 H9 N3 O7 -","- C7 H9 N3 O7 -","- C112 H144 N48 O112 -","16","1","HL1001","Boyd, M.; Atwell, G. J.; Denny, W. A.","Structure of 3-methoxycarbonyl-1-methyl-4-nitropyrazole-5-carboxylic acid monohydrate","Acta Crystallographica Section C","1993","49","8","1429","1430","10.1107/S0108270193003488","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001567","24.179","0.008","10.282","0.003","14.234","0.005","90","","90","","90","","3539","2","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C18 H15 Br2 Sb -","- C18 H15 Br2 Sb -","- C144 H120 Br16 Sb8 -","8","0.5","AL1016","Begley, M. J.; Sowerby, D. B.","Structures of triphenylantimony(V) dibromide and dichloride","Acta Crystallographica Section C","1993","49","6","1044","1046","10.1107/S0108270192011958","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001580","18.787","0.007","43.46","0.02","5.828","0.002","90","","90","","90","","4758","3","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C14 H12 O S -","- C14 H12 O S -","- C224 H192 O16 S16 -","16","1","CR1026","Li, Z.; Su, G.","Thiophene chalcone","Acta Crystallographica Section C","1993","49","6","1075","1077","10.1107/S0108270192013441","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001740","5.2049","0.0009","23.375","0.004","13.155","0.003","90","","90","","90","","1600.5","0.5","122","","122","","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Methyl-1-hydroxyurea","","- C2 H6 N2 O2 -","- C2 H6 N2 O S -","- C32 H96 N32 O16 S16 -","16","1","AB1049","Nielsen, B. B.; Frydenvang, K.; Larsen, I. K.","Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea","Acta Crystallographica Section C","1993","49","5","1018","1022","10.1107/S0108270192012551","","","0.71073","MoKα","","","0.029","","","0.037","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001961","23.345","0.002","40.671","0.004","6.561","0.001","90","","90","","90","","6229.4","1.2","","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C17 H17 N3 O2 -","- C17 N3 O2 -","- C272 N48 O32 -","16","1","AB1013","Meetsma, A.; Boer, T. S.; Haitjema, H. J.; Tan, Y. Y.","Structure of 4-[4'-(dimethylamino)phenylazo]phenyl acrylate (1) and 4-[4'-(dimethylamino)phenylazo]phenyl methacrylate (2)","Acta Crystallographica Section C","1993","49","2","288","292","10.1107/S0108270192007029","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002776","11.6566","0.0001","12.8721","0.0001","21.80199","0.0001","90","","90","","90","","3271.3","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachlorozirconate","","- Cl12 Se2 Zr -","- Cl12 Se2 Zr -","- Cl96 Se16 Zr8 -","8","0.5","","Beck, J; Biedenkopf, P; Mueller-Buschbaum, K; Richter, J.; Schlitt, K.-J.","Die reaktion von Se Cl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von (Se Cl3)2 M Cl6 mit M=Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0174","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002777","11.538","0.001","12.677","0.001","21.4742","0.001","90","","90","","90","","3141","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachlororhenate(IV)","","- Cl12 Re Se2 -","- Cl12 Re Se2 -","- Cl96 Re8 Se16 -","8","0.5","","Beck, J.; Biedenkopf, P.; Mueller-Buschbaum, K; Richter, J.; Schlitt, K.-J.","Die reaktion von Se Cl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von (Se Cl3)2 M Cl6 mit M=Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0388","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002778","11.538","0.001","12.677","0.001","21.4742","0.001","90","","90","","90","","3141","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachloromolybdate(IV)","","- Cl12 Mo Se2 -","- Cl12 Mo Se2 -","- Cl96 Mo8 Se16 -","8","0.5","","Beck, J.; Biedenkopf, P.; Mueller-Buschbaum, K; Richter, J.; Schlitt, K.-J.","Die Reaktion von SeCl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von ((Se Cl3))2 (M Cl6) mit M=Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0302","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002779","11.6294","0.0001","12.8498","0.0001","21.7822","0.0001","90","","90","","90","","3255","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(trichloroselenium) hexachlorohafnate","","- Cl12 Hf Se2 -","- Cl12 Hf Se2 -","- Cl96 Hf8 Se16 -","8","0.5","","Beck, J; Biedenkopf, P; Mueller-Buschbaum, K; Richter, J; Schlitt, K-J","Die Reaktion von SeCl4 mit Uebergangsmetalltetrachloriden. Synthese und Kristallstrukturen von ((Se Cl3))2 (M Cl6) mit M= Zr, Hf, Mo, Re","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","292","296","10.1002/zaac.19966220215","","","","","","0.0189","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003796","24.612","0.006","60.31","0.008","9.131","0.007","90","","90","","90","","13554","11","293","2","293","2","","","","","","","synthesis","4","F d d 2","F 2 -2d","43","Depogen","","","- C33 H43 N5 O9 -","- C33 H43 N5 O9 -","- C528 H688 N80 O144 -","16","1","KA1104","Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I.","Depogen, a Haemorheological Agent","Acta Crystallographica Section C","1995","51","8","1587","1590","10.1107/S0108270195000709","","","1.5418","CuKα","","0.1266","0.0581","","0.2132","0.1556","","","","1.024","1.126","1.126","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003812","19.656","0.003","35.939","0.002","12.149","0.002","90","","90","","90","","8582","2","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 La N2 Na O16 -","- C10 H16 La N2 Na O16 -","- C160 H256 La16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003813","19.543","0.005","35.683","0.008","12.142","0.005","90","","90","","90","","8467","5","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na Nd O16 -","- C10 N2 Na Nd O16 -","- C160 N32 Na16 Nd16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.025","","","0.031","","","","","1.56","1.56","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003814","19.46","0.003","35.583","0.003","12.127","0.003","90","","90","","90","","8397","3","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 Eu N2 Na O16 -","- C160 Eu16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.028","","","0.032","","","","","1.97","1.97","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003911","23.875","0.011","22.954","0.01","11.877","0.005","90","","90","","90","","6509","5","293","","","","","","","","","","crystallization from ethanol/water","5","F d d 2","F 2 -2d","43","","","","- C16 H20 N6 O4 S -","- C17 H14 N6 O4 S -","- C272 H224 N96 O64 S16 -","16","1","KA1042","Kettmann, V.; Bozóová, A.; Rybár, A.","9,9'-Thiobis(1,2,3,4,7,8-hexahydro-7-methyl-6<i>H</i>-pyrimido[1,6-<i>a</i>]pyrimidine-6,8-dione)","Acta Crystallographica Section C","1995","51","9","1861","1864","10.1107/S0108270194000090","","","0.71073","MoKα","","","0.052","","","0.055","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004939","26.319","0.007","16.313","0.004","17.842","0.004","90","","90","","90","","7660","3","178","2","178","2","","","","","","","","2","F d d 2","F 2 -2d","43","","1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne","","- C52 H46 -","- C52 H46 -","- C416 H368 -","8","0.5","AB1332","Jones, P. G.; Heirtzler, F.; Hopf, H.","1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex","Acta Crystallographica Section C","1996","52","6","1384","1388","10.1107/S0108270195016994","","","0.71073","MoKα","","0.0916","0.0411","","0.1182","0.0902","","","","0.989","1.016","1.016","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005205","20.733","0.002","35.97","0.003","14.66","0.001","90","","90","","90","","10932.9","1.6","160","2","160","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H38 B2 O6 -","- C28 H38 B2 O6 -","- C448 H608 B32 O96 -","16","1","AB1368","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1989","1991","10.1107/S0108270196003836","","","0.71073","MoKα","","0.0353","0.0304","","0.0771","0.0726","","","","1.051","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007718","22.7727","0.0004","38.3529","0.0007","9.631","0.0002","90","","90","","90","","8411.7","0.3","297","2","297","2","","","","","","","","3","F d d 2","F 2 -2d","43","calanone","","","- C27 H20 O5 -","- C27 H20 O5 -","- C432 H320 O80 -","16","1","DE1085","Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow","Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A","Acta Crystallographica Section C","1998","54","10","1536","1540","10.1107/S0108270198005691","","","0.71073","MoKα","","0.039","0.034","","0.084","0.081","","","","1.036","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008079","57.344","0.002","9.7802","0.0004","10.6263","0.0005","90","","90","","90","","5959.6","0.4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Methyl-7,7a,13a,14-tetrahydrobenzo[1,4]dioxino[2,3;6,7]naphtho[1,2-b] pyran-2-one.","","- C20 H16 O4 -","- C20 H16 O4 -","- C320 H256 O64 -","16","1","HA1226","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","4-Methyl-7,7a,13a,14-tetrahydrobenzo[<i>e</i>]pyrano[2',3':5,6]naphtho[2,3-<i>b</i>][1,4]dioxin-2-one","Acta Crystallographica Section C","1999","55","1","91","92","10.1107/S0108270198010427","","","0.71073","MoKα","","0.1142","0.0653","","0.1547","0.1317","","","","1.042","1.134","1.134","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008168","24.49","0.005","39.314","0.008","11.808","0.002","90","","90","","90","","11369","4","150","","150","","","","","","","","","6","F d d 2","F 2 -2d","43","","Tris(tetraethylammonium)tetrakis(thiophenolato-μ~3~- selenido-iron)","","- C48 H80 Fe4 N3 S4 Se4 -","- C48 H80 Fe4 N3 S4 Se4 -","- C384 H640 Fe32 N24 S32 Se32 -","8","0.5","LN1065","Hauptmann, Ralf; Schneider, Jörg; Chen, Changneng; Henkel, Gerald","Tris(tetraethylammonium) tetra-μ~3~-selenido-tetrakis[(thiophenolato-<i>S</i>)iron]","Acta Crystallographica Section C","1999","55","2","192","194","10.1107/S0108270198012190","","","0.71073","MoKα","","","0.0366","","","","0.0824","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008218","12.9598","0.0016","53.6","0.003","8.2907","0.0012","90","","90","","90","","5759.1","1.1","293","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","","- C16 H11 Br N4 -","- C16 H11 Br N4 -","- C256 H176 Br16 N64 -","16","1","BM1286","Kumar, A.; Parmar, V. S.; Errington, W.","(<i>E</i>)-2-[5-(3-Bromophenyl)pyrazol-3-yl]-3-(pyrrol-2-yl)acrylonitrile","Acta Crystallographica Section C","1999","55","3","456","457","10.1107/S0108270198013067","","","0.71073","MoKα","","0.0679","0.0457","","","","0.0986","","","","","","0.994","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008259","11.992","0.003","15.932","0.002","7.222","0.002","90","","90","","90","","1379.8","0.5","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","Strontium vanadium monophosphate","","","- O10 P2 Sr V2 -","- O10 P2 Sr V2 -","- O80 P16 Sr8 V16 -","8","0.5","GS1016","Berrah, Fadila; Leclaire, André; Borel, Marie-Madeleine; Guesdon, Anne; Raveau, Bernard","A new vanadium(IV) monophosphate, Sr(VO)~2~(PO~4~)~2~, isotypic with Ca(VO)~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","3","288","291","10.1107/S0108270198012372","","","0.71073","Mo_Kα","","0.042","0.042","","0.041","0.041","","","","2.454","2.454","2.454","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008754","10.39","0.002","14.394","0.003","7.884","0.002","90","","90","","90","","1179.1","0.4","143","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-Iodopyridine","","- C5 H4 I N -","- C5 H4 I N -","- C40 H32 I8 N8 -","8","0.5","BM1321","Ahrens, Birte; Jones, Peter G.","4-Iodopyridine, a structure with very short nitrogen‒iodine contacts","Acta Crystallographica Section C","1999","55","8","1308","1310","10.1107/S0108270199005521","","","0.71073","MoKα","","0.0181","0.0154","","","","0.0343","","","","","","1.127","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008814","25.493","0.0013","49.577","0.003","9.1095","0.0005","90","","90","","90","","11513.2","1.1","223","2","223","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C60 H58 Cl6 N2 Ni O2 P2 Pd2 -","- C480 H464 Cl48 N16 Ni8 O16 P16 Pd16 -","8","0.5","OA1087","Kamiyama, Asako; Kajiwara, Takashi; Ito, Tasuku","A trinuclear Pd~2~Ni complex, [(C~6~H~5~)~4~ P]~2~[(PdCl~3~)~2~{Ni(C~12~H~18~N~2~O~2~)}]","Acta Crystallographica Section C","1999","55","8","1282","1284","10.1107/S0108270199005545","","","0.71073","MoKα","","0.021","0.019","","","","0.047","","","","","","0.959","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008834","10.619","0.005","30.105","0.014","10.582","0.003","90","","90","","90","","3383","2","158","2","158","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","1","QA0145","Kovalevsky, A. Yu.","Redetermination of <i>N</i>-acetylanthranilic acid at 158K","Acta Crystallographica Section C","1999","55","8","IUC9900093","","10.1107/S0108270199099023","","","0.71073","MoKα","","0.047","0.034","","0.198","","0.105","","","1.142","","","1.15","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009357","43.749","0.01","20.984","0.002","4.598","0.001","90","","90","","90","","4221.1","1.4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-pyridylcarboxaldehyde isonicotinoyl hydrazone","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C192 H160 N64 O16 -","16","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.108","0.05","","","","0.122","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009475","41.505","0.006","19.45","0.002","6.338","0.001","90","","90","","90","","5116.5","1.2","293","","","","","","","","","","","4","F d d 2","F 2 -2d","","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C208 H256 N32 O48 -","16","1","NA1033","Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.","Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives","Acta Crystallographica Section C","1994","50","2","239","245","10.1107/S0108270193006997","","","0.71069","MoKα","","","0.029","","","0.032","","","","","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009629","31.346","0.001","26.838","0.006","7.293","0.005","90","","90","","90","","6135","4","300","","","","","","","","","","","5","F d d 2","F 2 -2d","","","","","- C11 H19 N5 O6 S -","- C11 H18 N5 O5.5 S -","- C176 H288 N80 O88 S16 -","16","1","LI1054","Nigam, G. D.; Karak, S.; Saha, C.R.; Srinivasan, S.","A triazine derivative","Acta Crystallographica Section C","1994","50","4","613","614","10.1107/S0108270193009461","","","1.5418","CuKα","","","0.039","","","0.04","","","","","","","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2009759","14.402","0.002","27.795","0.004","4.152","0.001","90","","90","","90","","1662.1","0.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C4 H6 N8 O4 -","- C4 H6 N8 O4 -","- C32 H48 N64 O32 -","8","0.5","BK1017","Flippen-Anderson, Judith L.; Kony, Michael; Dagley, Ian J.","A high-density thermally stable explosive: octahydro-2,5-bis(nitroimino)imidazo[4,5-<i>d</i>]imidazole","Acta Crystallographica Section C","1994","50","6","974","976","10.1107/S010827019400048X","","","1.54178","CuKα","","0.0471","0.0455","","0.1279","0.1238","","","","1.147","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009781","15.743","0.005","57.01","0.03","3.962","0.001","90","","90","","90","","3556","2","296","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H12 Br2 Cd N4 O6 -","- C12 H12 Br2 Cd N4 O6 -","- C96 H96 Br16 Cd8 N32 O48 -","8","0.5","HL1040","Hu, S.-Z.; Shi, D.-S.; Huang, Y.-Q.; Li, S.-X.; Yang, Y.-C.","A 1:2 addition compound of cadmium bromide with 3-methyl-4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section C","1994","50","6","893","895","10.1107/S0108270193011473","","","0.71073","MoKα","","","0.036","","","0.038","","","","","1.208","1.208","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010685","22.813","0.004","29.024","0.006","17.113","0.004","90","","90","","90","","11331","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis[chlorobis(1,10-phenanthroline-N,N')(thiourea-S)nickel(II)]chloride nitrate diethanol solvate","","- C54 H52 Cl3 N13 Ni2 O5 S2 -","- C54 H52 Cl3 N13 Ni2 O5 S2 -","- C432 H416 Cl24 N104 Ni16 O40 S16 -","8","0.5","SX1095","Leopoldo Suescun; Alvaro W. Mombrú; Raúl A. Mariezcurrena; Helena Pardo; Silvia Russi; Ricardo Baggio","Bis[chlorobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiourea-<i>S</i>)nickel(II)] chloride nitrate diethanol solvate","Acta Crystallographica Section C","2000","56","2","179","181","10.1107/S0108270199014833","","","0.71069","MoKα","","0.078","0.066","","","","0.209","","","","","","1.096","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010800","6.531","0.002","44.759","0.004","16.224","0.002","90","","90","","90","","4742.6","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H2 Fe4 O12 S2 Se2 -","- C14 H2 Fe4 O12 S2 Se2 -","- C112 H16 Fe32 O96 S16 Se16 -","8","0.5","DA1109","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep","Mixed-chalcogenide double-butterfly complex [{(CO)~6~Fe~2~SSe}~2~{μ-C(H)—C(H)}]","Acta Crystallographica Section C","2000","56","4","438","439","10.1107/S0108270100001037","","","0.71073","MoKα","","0.0485","0.0372","","","","0.1077","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012341","19.545","0.003","30.971","0.004","10.0335","0.0019","90","","90","","90","","6073.6","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","Tribromo bisphenol A","3,3',5'-Tribromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H13 Br3 O2 -","- C15 H13 Br3 O2 -","- C240 H208 Br48 O32 -","16","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.028","0.026","","","","0.063","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012451","28.049","0.007","31.198","0.008","3.727","0.001","90","","90","","90","","3261.4","1.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","nitroxoline","8-hydroxy-5-nitroquinoline","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C144 H96 N32 O48 -","16","1","SK1513","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride","Acta Crystallographica Section C","2002","58","1","o19","o21","10.1107/S0108270101018224","","","1.5418","CuKα","","","","","","","","","","2.104","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012593","38.199","0.004","36.135","0.005","9.303","0.004","90","","90","","90","","12841","6","296.2","","296.2","","","","","","","","","6","F d d 2","F 2 -2d","43","","tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-tetramethylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum dichloromethane hemisolvate","","- C28.5 H27 Cl Ir2 Mo2 O10 -","- C28 H26 Cl Ir2 Mo2 O10 -","- C448 H416 Cl16 Ir32 Mo32 O160 -","16","1","OA1125","Lucas, Nigel T.; Humphrey, Mark G.","Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate","Acta Crystallographica Section C","2002","58","3","m171","m173","10.1107/S0108270102000057","","","0.7107","MoKα","","0.046","0.023","","0.026","","0.023","","","0.79","","","0.82","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012844","20.892","0.014","33.38","0.02","3.942","0.003","90","","90","","90","","2749","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","7,7'-diiodo-4,4'-bis(2,1,3-benzothiadiazole)","","- C12 H4 I2 N4 S2 -","- C12 H4 I2 N4 S2 -","- C96 H32 I16 N32 S16 -","8","0.5","TA1368","Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro","4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)","Acta Crystallographica Section C","2002","58","7","o373","o375","10.1107/S0108270102008296","","","0.71069","MoKα","","0.057","0.055","","","0.151","0.152","","","","","","1.212","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013145","11.571","0.005","27.069","0.01","10.754","0.005","90","","90","","90","","3368","2","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","7,7'-Oxybis(2,8-dioxatricyclo[3.3.3.0^1,5^]undecan-3-one)","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","0.5","FR1401","Tsao, Jonglin F.; Faruqi, Sana R.; Thompson, Hugh W.; Lalancette, Roger A.","Two new heterocyclic [3.3.3.0^1,5^]-propellanoid compounds: 2,8-dioxatricyclo[3.3.3.0^1,5^]undecane-3,7-dione and a related dimer","Acta Crystallographica Section C","2003","59","2","o57","o59","10.1107/S0108270102022369","","","0.71073","MoKα","","0.105","0.05","","","0.07","0.082","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013151","21.756","0.005","23.531","0.005","5.628","0.0011","90","","90","","90","","2881.2","1.1","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Bis(2-aminopyridinium) maleate","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C112 H128 N32 O32 -","8","0.5","FR1408","Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa","Bis(2-aminopyridinium) maleate","Acta Crystallographica Section C","2003","59","3","o105","o106","10.1107/S0108270103001586","","","0.71073","MoKα","","0.029","0.026","","","0.069","0.072","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013473","26.483","0.005","34.102","0.007","10.483","0.002","90","","90","","90","","9467","3","100","1","100","1","","","","","","","","4","F d d 2","F 2 -2d","43","1,1,1-tris(4-hydroxyphenyl)methane‒bipyridine (1/1)","4,4',4''-methanetriyltriphenol‒bipyridine (1/1)","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C464 H384 N32 O48 -","16","1","JZ1567","Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski","Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine","Acta Crystallographica Section C","2003","59","8","o481","o484","10.1107/S0108270103014288","","","0.71073","MoKα","","0.0516","0.0428","","","0.0912","0.0948","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013507","27.366","0.002","32.347","0.002","4.8818","0.0003","90","","90","","90","","4321.4","0.5","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","","4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1-)]","","- C17 H24 N2 O10 P2 -","- C17 H24 N2 O10 P2 -","- C136 H192 N16 O80 P16 -","8","0.5","SK1644","Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","4,4'-Trimethylenedipyridinium bis[carboxymethylphosphonate(1‒)]: a three-dimensional framework structure built from O—H···O, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","8","o464","o466","10.1107/S0108270103011818","","","0.71073","MoKα","","0.0715","0.0441","","","0.0905","0.1027","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013903","24.059","0.003","54.213","0.005","6.5223","0.0005","90","","90","","90","","8507.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-[1-[(3-fluoro-4-phenyl]ethyl]-6-(2-fluorobenzylidene)thiazolo[3,2-b]- 1,2,4-triazol-5(6H)-one","","- C25 H17 F2 N3 O S -","- C25 H17 F2 N3 O S -","- C400 H272 F32 N48 O16 S16 -","16","1","AV1166","Köysal, Yavuz; Işık, Şamil; Dog̃daş, Emine; Tozkoparan, Birsen; Ertan, Mevlüt","6-(2-Fluorobenzylidene)-2-[1-(2-fluoro-4-biphenyl)ethyl]thiazolo[3,2-<i>b</i>][1,2,4]triazol-5(6<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o356","o357","10.1107/S010827010400410X","","","0.71073","MoKα","","0.1134","0.0369","","","0.0603","0.0689","","","","","","0.666","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014247","23.3764","0.0008","37.1079","0.0012","7.7091","0.0002","90","","90","","90","","6687.3","0.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione, orthorhombic polymorph","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C336 H240 N48 O48 -","16","1","SK1750","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120K: chains and sheets formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","9","o682","o685","10.1107/S0108270104017342","","","0.71073","MoKα","","0.0419","0.0344","","","0.078","0.0823","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014593","19.17","0.001","42.244","0.003","8.4475","0.0006","90","","90","","90","","6840.9","0.8","100","1","100","1","","","","","","","","4","F d d 2","F 2 -2d","43","","diphenyl(4-pyridyl)methyl methacrylate","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C352 H304 N16 O32 -","16","1","TR1099","Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit","Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate","Acta Crystallographica Section C","2004","60","11","o824","o826","10.1107/S0108270104024217","","","0.71073","MoKα","","0.0438","0.0371","","","0.0823","0.0852","","","","","","1.064","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015528","11.915","0.001","42.205","0.005","7.3069","0.0009","90","","90","","90","","3674.4","0.7","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","","- C8 H7 In O6 -","- C8 H7 In O6 -","- C128 H112 In16 O96 -","16","1","AV3026","Yu-Ling Wang; Qing-Yan Liu; Sheng-Liang Zhong","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)(μ~2~-hydroxo)indium(III)]","Acta Crystallographica Section C","2006","62","9","m395","m397","10.1107/S0108270106026679","","","0.71073","MoKα","","0.0271","0.0255","","","0.0565","0.0575","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015775","18.769","0.004","42.406","0.009","7.217","0.0014","90","","90","","90","","5744","2","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ- acetylenedicarboxylato-κ^3^O,O'O''] monohydrate]","","- C14 H12 Mn N2 O6 -","- C14 H12 Mn N2 O6 -","- C224 H192 Mn16 N32 O96 -","16","1","AV3056","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ~3~-acetylenedicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] monohydrate]","Acta Crystallographica Section C","2007","63","2","m65","m67","10.1107/S0108270106056022","","","0.71073","MoKα","","0.021","0.0192","","","0.0473","0.0487","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015785","13.0702","0.0008","21.8905","0.0016","7.7957","0.0005","90","","90","","90","","2230.5","0.3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3,4-di-2-pyridyl-1,2,5-oxadiazole","","- C12 H8 N4 O -","- C12 H8 N4 O -","- C96 H64 N32 O8 -","8","0.5","FA3049","Liu, Na; Cheng, Ai-Ling; Gao, En-Qing","3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt","Acta Crystallographica Section C","2007","63","2","o93","o95","10.1107/S0108270106052401","","","0.71073","MoKα","","0.1392","0.065","","","0.0716","0.0828","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015841","24.4297","0.0003","31.7167","0.0007","4.4409","0.0001","90","","90","","90","","3440.94","0.12","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(2,5-dihydroxyphenyl)-2-oxazoline","2-(2-Oxazolin-2-yl)benzene-1,4-diol","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","1","DN2121","Vratislav Langer; Eva Scholtzová; Dalma Gyepesová; Jozef Lustoň; Juraj Kronek","2-(2-Oxazolin-2-yl)benzene-1,4-diol: X-ray and density functional theory studies","Acta Crystallographica Section C","2007","63","3","o187","o189","10.1107/S0108270107004131","","","0.71073","MoKα","","0.0489","0.0365","","","0.0879","0.0963","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015975","32.3762","0.0004","43.4056","0.0002","5.5618","0.0001","90","","90","","90","","7816.04","0.17","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-(4-Bromophenyl)-5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazoline","","- C23 H22 Br N3 -","- C23 H22 Br N3 -","- C368 H352 Br16 N48 -","16","1","DN3043","Langer, Vratislav; Scholtzová, Eva; Koóš, Miroslav","3-(4-Bromophenyl)-5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazoline: X-ray and density functional theory (DFT) studies","Acta Crystallographica Section C","2007","63","6","o340","o342","10.1107/S0108270107020689","","","0.71073","MoKα","","0.0561","0.0443","","","0.105","0.113","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016918","38.925","0.0016","8.6186","0.0003","28.443","0.0009","90","","90","","90","","9542","0.6","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","","heptaaquabis(3-carboxy-1-benzofuran-2-carboxylato-κ<i>O</i>^3^)lanthanum(IV) bis(hemihydrogen 3-carboxy-1-benzofuran-2-carboxylate) tetrahydrate","","- C40 H43 La O31 -","- C40 H34 La O27 -","- C320 H272 La8 O216 -","8","0.5","FG3067","Koner, Rajesh; Goldberg, Israel","Probing the supramolecular interaction synthons of 1-benzofuran-2,3-dicarboxylic acid in its monoanionic form","Acta Crystallographica Section C","2009","65","1","m37","m41","10.1107/S0108270108040419","","","0.71073","MoKα","","0.0665","0.049","","","0.1073","0.1141","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017270","13.2423","0.0002","35.3359","0.0007","8.7298","0.0001","90","","90","","90","","4084.92","0.11","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II)","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C128 H192 Cl32 Cu8 N16 -","8","0.5","SU3035","Bond, Marcus R.","Bis(1,3,4-trimethylpyridinium) tetrachloridocuprate(II) and bis(1,3,4-trimethylpyridinium) tetrabromidocuprate(II): an examination of the <i>A</i>~2~Cu<i>X</i>~4~ <i>Fdd</i>2 structure type","Acta Crystallographica Section C","2009","65","8","m279","m283","10.1107/S0108270109023968","","","0.71073","MoKα","","0.0517","0.0342","","","0.0793","0.0869","","","","","","1.032","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2017423","15.893","0.003","44.48","0.005","7.3582","0.001","90","","90","","90","","5201.7","1.3","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","dichlorido[4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)benzoic acid-κ<i>N</i>^1^]zinc(II) dihydrate","","- C22 H26 Cl2 N6 O6 Zn -","- C22 H26 Cl2 N6 O6 Zn -","- C176 H208 Cl16 N48 O48 Zn8 -","8","0.5","EG3026","Lincke, Jörg; Lässig, Daniel; Krautscheid, Harald","Halogeno(triazolyl)zinc complexes as molecular building blocks for metal‒organic frameworks","Acta Crystallographica Section C","2009","65","12","m488","m490","10.1107/S010827010904668X","","","0.71073","MoKα","","","0.0248","","","","0.0678","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017424","16.1158","0.0012","44.425","0.004","7.3861","0.0005","90","","90","","90","","5288","0.7","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","dibromido[4-(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-yl)benzoic acid-κ<i>N</i>^1^]zinc(II) dihydrate","","- C22 H26 Br2 N6 O6 Zn -","- C22 H26 Br2 N6 O6 Zn -","- C176 H208 Br16 N48 O48 Zn8 -","8","0.5","EG3026","Lincke, Jörg; Lässig, Daniel; Krautscheid, Harald","Halogeno(triazolyl)zinc complexes as molecular building blocks for metal‒organic frameworks","Acta Crystallographica Section C","2009","65","12","m488","m490","10.1107/S010827010904668X","","","0.71073","MoKα","","","0.0333","","","","0.09","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017787","25.072","0.006","46.996","0.008","3.7592","0.0007","90","","90","","90","","4429.4","1.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C160 H144 N80 O16 -","16","1","BM3095","Altaf, Muhammad; Stoeckli-Evans, Helen","Green chemistry synthesis: 2-amino-3-[(<i>E</i>)-(2-pyridyl)methylideneamino]but-2-enedinitrile monohydrate and 5-cyano-2-(2-pyridyl)-1-(2-pyridylmethyl)-1<i>H</i>-imidazole-4-carboxamide","Acta Crystallographica Section C","2010","66","9","o441","o445","10.1107/S0108270110029021","","","0.71073","MoKα","","0.0856","0.0629","","","0.1449","0.1576","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018298","37.9355","0.0012","76.88","0.003","10.5666","0.0003","90","","90","","90","","30817.3","1.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","<i>N</i>-(6-acetamidopyridin-2-yl)acetamide‒6-propyl-2-thiouracil (1/2)","<i>N</i>-(6-acetamidopyridin-2-yl)acetamide bis(6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)","","- C23 H31 N7 O4 S2 -","- C23 H31 N7 O4 S2 -","- C1104 H1488 N336 O192 S96 -","48","3","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0742","0.0468","","","0.0891","0.0966","","","","","","0.906","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018825","13.556","0.003","15.931","0.003","7.7562","0.0016","90","","90","","90","","1675","0.6","120","","120","","","","","","","","","2","F d d 2","F 2 -2d","43","","1,2-Diethylbenzene","","- C10 H14 -","- C10 H14 -","- C80 H112 -","8","0.5","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","MoKα","","0.0353","0.0351","","","0.0896","0.0906","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018916","24.234","0.006","51.149","0.012","6.952","0.002","90","","90","","90","","8617","4","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine","","- C28 H24 Si -","- C28 H24 Si -","- C448 H384 Si16 -","16","1","KY3030","Clegg, William; Harrington, Ross W.; Mercier, Lauren G.; Piers, Warren E.","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine: a synchrotron study","Acta Crystallographica Section C","2013","69","4","436","438","10.1107/S0108270113005659","","","0.6889","synchrotron","","0.0344","0.0304","","","0.0723","0.0736","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2019050","19.1372","0.0011","63.972","0.004","6.9053","0.0005","90","","90","","90","","8453.8","0.9","91","2","91","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Methyl 4-bromo-3,5-dimethoxybenzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C320 H352 Br32 O128 -","32","2","OV3030","Saeed, Aamer; Qasim, Muhammad; Simpson, Jim","Br···O contacts and π‒π stacking dominate the packing in methyl 4-bromo-3,5-dimethoxybenzoate","Acta Crystallographica Section C","2013","69","7","790","793","10.1107/S0108270113015229","","","0.71073","MoKα","","0.0306","0.0263","","","0.0564","0.0577","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019672","16.5446","0.0006","53.4204","0.0017","15.5857","0.0004","90","","90","","90","","13774.9","0.8","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)-3,5-Bis(4-chlorophenyl)-2,4-bis(pyridine-2-carbonyl)-1-(pyridin-2-yl)cyclohexanol acetone 0.951-solvate","","- C37.853 H32.706 Cl2 N3 O3.951 -","- C37.853 H32.706 Cl2 N3 O3.951 -","- C605.648 H523.296 Cl32 N48 O63.216 -","16","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0467","0.039","","","0.1046","0.1091","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2020089","23.198","0.003","26.327","0.003","7.288","0.001","90","","90","","90","","4451","1","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C8 H16 N6 O -","- C8 H16 N6 O -","- C128 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0787","0.066","","","0.1531","0.1589","","","","","","1.136","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020090","23.178","0.002","26.3327","0.0017","7.3428","0.0005","90","","90","","90","","4481.6","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>-methylpyrrolidin-2-one (1/1)","","- C9 H16 N6 O -","- C9 H16 N6 O -","- C144 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0613","0.0519","","","0.1007","0.1034","","","","","","1.216","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020607","19.63","0.003","61.387","0.01","10.422","0.0017","90","","90","","90","","12559","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(μ-3,4-Diacetylhexa-2,4-diene-2,5-diolato-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^)bis{[tris(3-neopentyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II)}","","- C58 H92 B2 N12 Ni2 O4 -","- C58 H92 B2 N12 Ni2 O4 -","- C464 H736 B16 N96 Ni16 O32 -","8","0.5","YP3119","Mikhalyova, Elena A.; Trofimenko, Swiatoslaw; Zeller, Matthias; Addison, Anthony W.; Pavlishchuk, Vitaly V.","New homodinuclear tris(3-alkylpyrazolyl)borate complexes of Co^II^ and Ni^II^ with a tetraacetylethane dianion as a bridging ligand","Acta Crystallographica Section C","2016","72","11","777","785","10.1107/S205322961601398X","","","0.71073","MoKα","","0.0324","0.0297","","","0.0695","0.0714","","","","","","1.024","","","","has coordinates,has Fobs","188941","2020-10-21","18:00:00",""
"2020835","12.9824","0.0009","23.0588","0.0015","5.7527","0.0004","90","","90","","90","","1722.1","0.2","100","","100.02","","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C96 H72 F8 -","8","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0387","0.0385","","","0.1062","0.1066","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2021795","34.5658","0.0016","9.3832","0.0004","12.5209","0.0006","90","","90","","90","","4061","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) chloride","","- C16 H36 Cl3 Fe N4 -","- C16 H36 Cl3 Fe N4 -","- C128 H288 Cl24 Fe8 N32 -","8","0.5","CU3157","Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes","Acta Crystallographica Section C","2019","75","11","","","10.1107/S2053229619013925","","","0.71073","MoKα","","0.0281","0.0249","","","0.0621","0.0637","","","","","","1.057","","","","has coordinates,has Fobs","219510","2020-10-21","18:00:00",""
"2021938","18.632","0.003","19.933","0.003","4.3095","0.0006","90","","90","","90","","1600.5","0.4","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(5-amino-1,2,4-triazol-3-yl)methane","","- C5 H8 N8 -","- C5 H8 N8 -","- C40 H64 N64 -","8","0.5","QS3089","Li, Hongya; Yan, Biao; Ma, Haixia; Sun, Zhiyong; Ma, Yajun; Zhang, Zhifang","Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane","Acta Crystallographica Section C","2020","76","1","64","68","10.1107/S2053229619016231","","","0.71073","MoKα","","0.0314","0.0284","","","0.0666","0.0681","","","","","","1.074","","","","has coordinates,has Fobs","246409","2020-10-21","18:00:00",""
"2022120","12.436","0.0007","24.0412","0.0013","28.4613","0.0015","90","","90","","90","","8509.3","0.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato)bis{[1,4-πhenylenebis(methylene)]bis(1<i>H</i>-imidazole)}dizinc(II)] monohydrate]","","- C44 H36 N8 O9 Zn2 -","- C44 H36 N8 O9 Zn2 -","- C352 H288 N64 O72 Zn16 -","8","0.5","EF3007","Su, Feng; Yu, Jinyang; Zhou, Chengyong; Li, Shaodong; Ma, Pengyi; Zhang, Xuhui; Wang, Zhijun","Two Zn^II^-based MOFs constructed with biphenyl-2,2',5,5'-tetracarboxylic acid and flexible N-donor ligands: syntheses, structures and properties","Acta Crystallographica Section C","2020","76","6","","","10.1107/S205322962000604X","","","0.71073","MoKα","","0.0717","0.0508","","","0.1201","0.1325","","","","","","1.006","","","","has coordinates,has Fobs","252050","2020-10-21","18:00:00",""
"2022259","36.9868","0.001","15.5842","0.0004","4.2131","0.0001","90","","90","","90","","2428.47","0.11","130","1","130","1","","","","","","","","4","F d d 2","F 2 -2d","43","","2,2'-[Methanediylbis(sulfanediyl)]bis(pyrimidine-4,6-diamine)","","- C9 H12 N8 S2 -","- C9 H12 N8 S2 -","- C72 H96 N64 S16 -","8","0.5","ZO3006","Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej","When solvent becomes reactant: a study of 6-aminothiocytosine derivatives","Acta Crystallographica Section C","2020","76","10","992","999","10.1107/S2053229620012504","","x-ray","1.54184","CuKα","","0.0232","0.0228","","","0.062","0.0622","","","","","","1.057","","","","has coordinates,has Fobs","256848","2020-10-21","18:00:00",""
"2100458","12.0568","0.0007","15.9176","0.001","5.8001","0.0004","90","","90","","90","","1113.13","0.12","220","","220","","","","","","","","","4","F d d 2","F 2 -2d","43","","dimethylsulfate","","- C2 H6 O4 S -","- C2 H6 O4 S -","- C16 H48 O32 S8 -","8","0.5","WS5036","","","Acta Crystallographica, Section B","2006","62","2","280","286","10.1107/S0108768106001893","","","0.71073","MoKα","","0.0407","0.0336","","0.0864","0.0842","0.0864","","","","","","0.9311","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2100869","33.96","0.01","15.795","0.005","10.879","0.002","90","","90","","90","","5835","3","","","","","","","","","","","","5","F d d 2","","","","","","- C13 H14 Cl2 N2 O -","- C13 H14 Cl2 N2 O -","- C208 H224 Cl32 N32 O16 -","16","1","CR0416","Ammon, H. L.; Bashir-Hashemi, A.","Structures of secocubane and nortwistbrendane derivatives","Acta Crystallographica Section B","1992","48","6","832","837","10.1107/S0108768192005238","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101713","10.632","","73.538","","10.097","","90","","90","","90","","7894.4","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H15 Cl3 N2 O5 S -","- C16 H15 Cl3 N2 O5 S -","- C256 H240 Cl48 N32 O80 S16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101714","20.074","","42.388","","10.497","","90","","90","","90","","8931.86","","","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H46 F12 N6 Ni O2 P2 -","- C36 H46 F12 N6 Ni O2 P2 -","- C288 H368 F96 N48 Ni8 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101717","11.364","","32.149","","12.831","","90","","90","","90","","4687.69","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C176 H224 O96 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101718","20.712","","32.934","","9.78","","90","","90","","90","","6671.22","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 Co O2 P2 -","- C36 H30 Cl2 Co O2 P2 -","- C288 H240 Cl16 Co8 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101726","20.95","","29.162","","5.603","","90","","90","","90","","3423.12","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H18 N4 O2 P2 -","- C17 H18 N4 O2 P2 -","- C136 H144 N32 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101739","12.423","","22.107","","9.363","","90","","90","","90","","2571.41","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101753","15.508","","59.948","0.006","7.226","0.001","90","","90","","90","","6717.8","1.1","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H23 N3 O11.5 V -","- C10 H9 N3 O11.5 V -","- C160 H144 N48 O184 V16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199468","2020-10-21","18:00:00",""
"2101757","16.153","","43.501","","11.429","","90","","90","","90","","8030.83","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H48 I2 Na2 O14 -","- C32 I2 Na2 O14 -","- C256 I16 Na16 O112 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101765","9.503","0.002","16.429","0.006","15.18","","90","","90","","90","","2370","1","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 -","- C15 H14 N2 -","- C120 H112 N16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101768","30.71","0.02","18.495","","9.685","0.005","90","","90","","90","","5501","5","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H38 As Cl Si2 Ti2 -","- C26 H38 As Cl Si2 Ti2 -","- C208 H304 As8 Cl8 Si16 Ti16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2101784","14.132","0.003","75.251","","8.828","0.008","90","","90","","90","","9388","9","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H36 Ir2 S -","- C24 H34 Ir2 S -","- C384 H544 Ir32 S16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101791","56.474","0.008","11.457","","6.185","","90","","90","","90","","4001.8","0.6","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 -","- C27 N2 -","- C216 N16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101798","17.47","","25.519","0.011","19.9","","90","","90","","90","","8872","4","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H23 Ni P S4 W -","- C11 Ni P S4 W -","- C176 Ni16 P16 S64 W16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101802","37.329","0.009","24.606","","5.876","0.003","90","","90","","90","","5397","3","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H15 Fe N -","- C17 H15 Fe N -","- C272 H240 Fe16 N16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2101803","15.044","0.001","32.288","","5.288","0.001","90","","90","","90","","2568.6","0.5","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H4 N2 O2 -","- C6 H4 N2 O2 -","- C96 H64 N32 O32 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102202","40.641","0.005","22.268","0.003","5.7881","0.0013","90","","90","","90","","5238.2","1.5","122","0.5","122","0.5","","","","","","","","5","F d d 2","F 2 -2d","43","","dihydroxy phenylselenonium benzene sulfonate","","- C12 H12 O5 S Se -","- C12 H10 O5 S Se -","- C192 H160 O80 S16 Se16 -","16","1","OS0057","Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai; Henriksen, Lars; Larsen, Sine","Structural characterization of protonated benzeneseleninic acid, the dihydroxyselenonium ion","Acta Crystallographica Section B","2000","56","6","1029","1034","10.1107/S0108768100010697","","","1.54184","CuKα","","0.0772","0.0737","","","0.1416","0.1425","","","","","","5.839","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102309","9.692","","67.57","","17.028","","90","","90","","90","","11151.4","","","","","","","","","","","","","4","F d d 2","","43","","","","- C34 H32 O2 Sn -","- C34 H32 O2 Sn -","- C544 H512 O32 Sn16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102340","33.205","","34.327","","8.442","","90","","90","","90","","9622.43","","","","","","","","","","","","","4","F d d 2","","43","","","","- C28 H32 N2 O3 -","- C28 H31 N2 O3 -","- C448 H496 N32 O48 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102350","23.981","","16.733","","15.42","","90","","90","","90","","6187.65","","","","","","","","","","","","","6","F d d 2","","43","","","","- C26 H36 Cl2 P2 Ru S2 -","- C26 H30 Cl2 P2 Ru S2 -","- C208 H240 Cl16 P16 Ru8 S16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102356","22.694","","31.366","","8.4986","","90","","90","","90","","6049.47","","","","","","","","","","","","","5","F d d 2","","43","","","","- C32 H30 As2 Mg O6 -","- C32 H30 As2 Mg O6 -","- C256 H240 As16 Mg8 O48 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102370","31.343","","29.969","","23.979","","90","","90","","90","","22523.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C106 H60 N2 O32 P4 Pd4 Ru12 -","- C106 H60 N2 O32 P4 Pd4 Ru12 -","- C848 H480 N16 O256 P32 Pd32 Ru96 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","189126","2020-10-21","18:00:00",""
"2102371","8.286","","29.498","","12.225","","90","","90","","90","","2988.04","","","","","","","","","","","","","5","F d d 2","","43","","","","- C10 H14 Mg N6 O7 -","- C10 H14 Mg N6 O7 -","- C80 H112 Mg8 N48 O56 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102385","16.354","","16.035","","19.793","","90","","90","","90","","5190.44","","","","","","","","","","","","","7","F d d 2","","43","","","","- C6 H14 Ge3 In N2 O S8 -","- In4 S8 -","- In32 S64 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102387","42.084","","20.589","","9.925","","90","","90","","90","","8599.69","","","","","","","","","","","","","5","F d d 2","","43","","","","- C26 H18 Fe N2 S2 -","- C26 H18 Fe N2 S2 -","- C416 H288 Fe16 N32 S32 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102390","11.4","","20.186","","4.569","","90","","90","","90","","1051.42","","","","","","","","","","","","","4","F d d 2","","43","","","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C24 H64 N16 O8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102392","16.674","","29.469","","9.552","","90","","90","","90","","4693.53","","","","","","","","","","","","","5","F d d 2","","43","","","","- C16 H32 Cl3 Gd O4 -","- C16 H32 Cl3 Gd O4 -","- C128 H256 Cl24 Gd8 O32 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102398","32.252","","8.561","","13.72","","90","","90","","90","","3788.22","","","","","","","","","","","","","4","F d d 2","","43","","","","- C16 H26 N6 Ti -","- C16 H26 N6 Ti -","- C128 H208 N48 Ti8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102400","15.879","","45.775","","6.078","","90","","90","","90","","4417.86","","","","","","","","","","","","","5","F d d 2","","43","","","","- C24 H22 Cu N2 O5 -","- C24 Cu N2 O5 -","- C192 Cu8 N16 O40 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102401","13.098","","52.076","","9.772","","90","","90","","90","","6665.4","","","","","","","","","","","","","4","F d d 2","","43","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C304 H240 N16 O80 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102404","29.014","","24.945","","11.7128","","90","","90","","90","","8477.19","","","","","","","","","","","","","5","F d d 2","","43","","","","- C11 H32 B10 Br P -","- C11 B10 Br P -","- C176 B160 Br16 P16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102426","18.702","","36.317","","8.502","","90","","90","","90","","5774.56","","","","","","","","","","","","","5","F d d 2","","43","","","","- C22 H34 N8 Ni O10 -","- C22 H34 N8 Ni O10 -","- C176 H272 N64 Ni8 O80 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102429","9.303","","67.316","","15.607","","90","","90","","90","","9773.74","","","","","","","","","","","","","5","F d d 2","","43","","","","- C28 H26 O3 S Si -","- C28 H26 O3 S Si -","- C448 H416 O48 S16 Si16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102438","22.958","","19.861","","8.724","","90","","90","","90","","3977.87","","","","","","","","","","","","","4","F d d 2","","43","","","","- C20 H36 O2 S -","- C20 O4 S2 -","- C160 O32 S16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102439","32.668","","23.772","","13.688","","90","","90","","90","","10629.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C38 H60 Ag2 F12 N12 O6 P2 -","- C38 H52 Ag2 F12 N12 O6 P2 -","- C304 H416 Ag16 F96 N96 O48 P16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102462","16.698","","64.74","","9.592","","90","","90","","90","","10369.2","","","","","","","","","","","","","4","F d d 2","","43","","","","- C28 H36 Fe2 O3 -","- C28 H36 Fe2 O3 -","- C448 H576 Fe32 O48 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199553","2020-10-21","18:00:00",""
"2102463","42.155","","17.544","","8.67","","90","","90","","90","","6412.05","","","","","","","","","","","","","5","F d d 2","","43","","","","- C30 H50 B Li2 N5 -","- C30 H50 B Li2 N5 -","- C240 H400 B8 Li16 N40 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102465","7.858","","29.601","","20.564","","90","","90","","90","","4783.28","","","","","","","","","","","","","5","F d d 2","","43","","","","- C28 H18 Cr2 Fe O6 -","- C28 H18 Cr2 Fe O6 -","- C224 H144 Cr16 Fe8 O48 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102466","15.848","","45.803","","7.023","","90","","90","","90","","5097.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C12 H26 F12 N8 O3 P2 Pt -","- C12 F12 N8 O3 P2 Pt -","- C96 F96 N64 O24 P16 Pt8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102471","20.462","","20.517","","12.867","","90","","90","","90","","5401.81","","","","","","","","","","","","","5","F d d 2","","43","","","","- C16 H41 Cl2 N5 Si4 -","- C16 H41 Cl2 N5 Si4 -","- C128 H328 Cl16 N40 Si32 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102480","12.871","0.003","23.939","0.005","5.887","0.0012","90","","90","","90","","1813.9","0.7","305","2","305","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.1026","0.0446","","","0.1112","0.1331","","","","","","0.963","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102481","12.874","0.002","23.94","0.003","5.888","0.001","90","","90","","90","","1814.7","0.5","294","2","294","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0396","0.0332","","","0.0776","0.0812","","","","","","1.045","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102482","12.882","0.001","23.533","0.002","5.7815","0.0008","90","","90","","90","","1752.7","0.3","145","2","145","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0284","0.0269","","","0.0641","0.0651","","","","","","1.117","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102483","12.875","0.003","23.416","0.005","5.75","0.0012","90","","90","","90","","1733.5","0.7","90","0.2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0313","0.0298","","","0.0725","0.0738","","","","","","1.078","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102700","15.4577","0.0012","17.5074","0.0012","10.997","0.0007","90","","90","","90","","2976.1","0.4","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","6-amino-1-hexanol","","- C6 H15 N O -","- C6 H15 N O -","- C96 H240 N16 O16 -","16","1","GP5014","Loehlin, James H.; Okasako, Elizabeth L. N.","Analysis of structures with saturated hydrogen bonding","Acta Crystallographica Section B","2007","63","1","132","141","10.1107/S0108768106045046","","","0.71073","MoKα","","0.0962","0.0853","","0.231","0.2256","0.2256","","","","","","1.065","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103965","27.438","0.0016","23.431","0.0012","3.5877","0.0002","90","","90","","90","","2306.5","0.2","90","0.2","90","0.2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C10 H10 N4 O6 -","- C10 H10 N4 O6 -","- C80 H80 N32 O48 -","8","0.5","NA5002","Iyere, Peter Abeta; Boadi, William Y; Atwood, David; Parkin, Sean","Supramolecular aggregation in 4,4'-bipyridin-1,1'-ium dichloride, 4,4'-bipyridin-1,1'-ium dinitrate and 4,4'-bipyridin-1-ium bromide","Acta Crystallographica Section B","2003","59","5","664","669","10.1107/S0108768103011212","","","0.71073","MoKα","","0.0297","0.027","","","0.0666","0.0677","","","","","","1.113","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104478","36.282","","54.429","","13.198","","90","","90","","90","","26063.3","","298","2","298","2","","","","","","","","7","F d d 2","F 2 -2d","43","","bis(mu(2)-Acetato-O,O')-bis(mu(2)-2-(n-propyliminomethyl)-4-methyl-6- ((bis(pyridin-2-ylmethyl)amino)methylphenolato)-bis(methanol)-tri-nickel(ii) bis(hexafluorophosphate","","- C54 H68 F12 N8 Ni3 O8 P2 -","- C54 H68 F12 N8 Ni3 O8 P2 -","- C864 H1088 F192 N128 Ni48 O128 P32 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104485","33.916","","35.276","","9.976","","90","","90","","90","","11935.5","","180","2","180","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(Mu_4-eta^4,eta^4-5-Methylene-7,7-dimethylcyclohepta-1.3-diyne)bis(mu_2-bis- (diphenylphosphine)-methane)-octdacarbonyl-tetra-cobalt","","- C68 H54 Co4 O8 P4 -","- C68 H54 Co4 O8 P4 -","- C544 H432 Co32 O64 P32 -","8","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104504","12.738","0.003","25.57","","20.175","0.003","90","","90","","90","","6571.2","1.8","295","2","","","","","","","","","","6","F d d 2","F 2 -2d","43","","hexakis(dimethylsulfoxide)-calcium diperchlorate","","- C12 H36 Ca Cl2 O14 S6 -","- C12 H36 Ca Cl2 O14 S6 -","- C96 H288 Ca8 Cl16 O112 S48 -","8","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104506","60.457","0.018","16.411","0.006","5.582","0.002","90","","90","","90","","5538","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dimethyl(2-(methylene)-2-(phenylsulfanyl)ethyl)ammonium oxalate","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C208 H272 N16 O64 S16 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104510","20.618","0.013","49.704","","6.265","0.004","90","","90","","90","","6420","6","293","2","","","","","","","","","","3","F d d 2","F 2 -2d","43","oxabridged spirocyclic seven-membered-ring system","5'-phenyl-2'H-spiro[indene-2,6'-[8]oxabicyclo[3.2.1]octane]-1,2'(3H)-dione","","- C21 H18 O3 -","- C21 H18 O3 -","- C336 H288 O48 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104524","25.898","0.003","74.105","0.006","6.853","0.003","90","","90","","90","","13152","6","183","2","","","","","","","","","","2","F d d 2","F 2 -2d","43","","1,3,5-tris(2-(1-adamantyl)ethynyl)benzene","","- C42 H48 -","- C42 H48 -","- C672 H768 -","16","1","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104579","17.269","","27.3","","8.154","","90","","90","","90","","3844.15","","295","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Tribromo-bis(N,N'-dimethylpropyleneurea-O)-iron(iii)","","- C12 H24 Br3 Fe N4 O2 -","- C12 H24 Br3 Fe N4 O2 -","- C96 H192 Br24 Fe8 N32 O16 -","8","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104950","23.7999","0.0004","44.9245","0.0008","5.7804","0.0001","90","","90","","90","","6180.4","0.19","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(trans-cyclohexane-1,4-dicarboxylic acid).(hexamethylenetetramine)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C224 H384 N64 O64 -","16","1","SO5048","Lemmerer, Andreas","Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature","Acta Crystallographica Section B","2011","67","2","177","192","10.1107/S0108768111004964","","","0.71073","MoKα","","0.0364","0.0332","","","0.0957","0.0988","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105328","11.3837","0.0002","19.6293","0.0004","4.56079","0.00013","90","","90","","90","","1019.13","0.04","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,3-dimethylurea","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C24 H64 N16 O8 -","8","0.5","PS5022","Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina","Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea","Acta Crystallographica Section B","2013","69","1","70","76","10.1107/S0108768112049324","","","1.54184","CuKα","","0.0294","0.0294","","","0.0803","0.0804","","","","","","1.126","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105390","12.827","","10.52","","3.838","","90","","90","","90","","517.9","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Au2 O3 -","- Au2 O3 -","- Au16 O24 -","8","0.5","","Sheldrick, G.M.; Jones, P.G.; Schwarzmann, E.; Rumpel, H.","Gold(III) oxide","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1435","1437","10.1107/S0567740879006622","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106587","9.243","","22.885","","8.886","","90","","90","","90","","1879.62","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","(Zn Cl2)2 (H Cl) (H2 O)2","","- Cl5 H5 O2 Zn2 -","- Cl5 O2 Zn2 -","- Cl40 O16 Zn16 -","8","0.5","","Selenius, C.O.; Delaplane, R.G.","A refinement of zinc dichloride-hydrochloric acid-water (2:1:2)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1330","1332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106815","18.354","","18.586","","6.608","","90","","90","","90","","2254.17","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","(Na15.68 Ca0.32) (Al16.32 Si23.68 O80) (H2 O)16","","- Al16.32 Ca0.32 H32 Na15.68 O96 Si23.68 -","- Al16.32 Ca0.32 Na15.68 O96 Si23.68 -","- Al16.32 Ca0.32 Na15.68 O96 Si23.68 -","1","0.0625","","Alberti, A.; Vezzalini, G.","A partially disordered natrolite: Relationships between cell parameters and Si-Al distribution","Acta Crystallographica B (24,1968-38,1982)","1981","37","","781","788","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106899","20.7","","8.977","","6.416","","90","","90","","90","","1192.25","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ba (Al O (O H)2)2","","- Al2 Ba H4 O6 -","- Al2 Ba O6 -","- Al16 Ba8 O48 -","8","0.5","","Dent Glasser, L.S.; Giovanoli, R.","Barium aluminate hydrates. V. The crystal structure of gamma-Ba (Al O (O H)2)2","Acta Crystallographica B (24,1968-38,1982)","1972","28","","760","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107080","14.829","","22.98","","6.383","","90","","90","","90","","2175.14","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ca (I O3)2 (H2 O)6","","- Ca H12 I2 O12 -","- Ca I2 O12 -","- Ca8 I16 O96 -","8","0.5","","Morosin, B.; Bergman, J.G.; Crane, G.R.","Crystal structure, linear and nonlinear optical properties of Ca (I O3)2 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1067","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107469","27","0.005","56.855","0.011","10.756","0.002","90","","90","","90","","16511","5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H42 Cu N6 O11 -","- C38 H42 Cu N6 O11 -","- C608 H672 Cu16 N96 O176 -","16","1","LO5005","Pradhan, Subhashis; Moon, Dohyun; John, Rohith P.","A double stranded metal‒organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling","Acta Crystallographica Section B","2016","72","1","102","108","10.1107/S2052520615020983","","","0.62996","synchrotron","","0.0346","0.0344","","","0.0945","0.0947","","","","","","1.064","","","","has coordinates","176612","2020-10-21","18:00:00",""
"2108850","29.408","0.003","79.439","0.006","3.9865","0.0004","90","","90","","90","","9313","1.5","270","0.1","270","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C288 H144 Br144 -","48","3","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.1525","0.0672","","","0.1277","0.1604","","","","","","0.948","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108851","29.383","0.002","79.163","0.004","3.9713","0.0003","90","","90","","90","","9237.4","1","200","0.1","200","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C288 H144 Br144 -","48","3","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.108","0.0621","","","0.1165","0.1373","","","","","","1.004","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108852","29.313","0.002","78.645","0.004","3.932","0.0002","90","","90","","90","","9064.5","0.9","100","0.1","100","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C288 H144 Br144 -","48","3","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0863","0.0613","","","0.1202","0.1348","","","","","","1.069","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2200083","33.958","0.005","22.88","0.003","11.735","0.001","90","","90","","90","","9118","2","293","2","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H18 Cr2 N4 Ni O8 -","- C20 H18 Cr2 N4 Ni O8 -","- C320 H288 Cr32 N64 Ni16 O128 -","16","1","YA6000","Fernández-González, Nélida; González-Silgo, Cristina; González-Platas, Javier; Gili, Pedro; Martín-Zarza, Pedro","<i>cis</i>-Aquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')[dichromato(2‒)-<i>O</i>^1^]nickel(II)","Acta Crystallographica Section E","2001","57","1","m43","m45","10.1107/S1600536800020389","","","0.71073","MoKα","","0.046","0.029","","0.075","","0.075","","","1.08","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200702","13.782","0.003","14.805","0.003","6.317","0.001","90","","90","","90","","1288.9","0.4","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","2,6-Lutidine","2,6-Dimethylpyridine","","- C7 H9 N -","- C7 H9 N -","- C56 H72 N8 -","8","0.5","NA6108","Bond, Andrew D.; Davies, John E.; Kirby, Anthony J.","2,6-Lutidine","Acta Crystallographica Section E","2001","57","12","o1242","o1244","10.1107/S1600536801019869","","","0.71073","MoKα","","0.0618","0.0567","","","","0.1397","","","","","","1.105","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200824","20.2837","0.0008","42.098","0.002","6.1644","0.0002","90","","90","","90","","5263.8","0.4","293","1","293","1","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 H16 -","- C18 H16 -","- C288 H256 -","16","1","BT6094","Jovanovic, Jovan; Schürmann, Markus; Preut, Hans; Spiteller, Michael","2-(2',3'-Dihydro-1'<i>H</i>-inden1'-yl)-1<i>H</i>-indene","Acta Crystallographica Section E","2002","58","1","o33","o34","10.1107/S1600536801021080","","","0.71073","MoKα","","0.1275","0.0358","","","0.0658","0.0764","","","","","","0.815","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201069","18.6188","0.0014","45.383","0.004","3.945","0.004","90","","90","","90","","3333","3","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","4-chloropropiophenone","1-(4-chlorophenyl)propane-1-one","","- C9 H9 Cl O -","- C9 H9 Cl O -","- C144 H144 Cl16 O16 -","16","1","CF6176","Philip J. Cox","Weak C—H···O hydrogen bonding and aromatic π‒π-stacking interactions in 1-(4-chlorophenyl)propan-1-one","Acta Crystallographica Section E","2002","58","6","o661","o662","10.1107/S1600536802008590","","","0.71073","MoKα","","0.0527","0.0386","","","0.0804","0.0857","","","","","","1.014","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201152","24.871","0.004","5.6208","0.0006","18.2216","0.0019","90","","90","","90","","2547.3","0.6","143","2","143","2","","","","","","","","6","F d d 2","F 2 -2d","43","","N,N-Bis-(trifluoromethylsulfonyl)-aniline","","- C8 H5 F6 N O4 S2 -","- C8 H5 F6 N O4 S2 -","- C64 H40 F48 N8 O32 S16 -","8","0.5","NA6160","Bats, Jan W.; Weyrauch, Jan P.; Hashmi, A. Stephen K.","<i>N,N</i>-Bis(trifluoromethylsulfonyl)aniline","Acta Crystallographica Section E","2002","58","6","o590","o591","10.1107/S160053680200764X","","","0.71073","MoKα","","0.0312","0.0263","","","0.0675","0.0691","","","","","","1.195","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201633","40.66","0.02","29.4","0.01","9.267","0.004","90","","90","","90","","11078","8","158.2","0.2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(1RS,7RS,8RS,14SR-5,12-Dimethyl-7,14-diphenyl-1,4,8,11- tetraazacyclotetradeca-4,11-diene-N^1^,N^4^,N^8^,N^11^)nickel(II) Perchlorate","","- C24 H32 Cl2 N4 Ni O8 -","- C24 H32 Cl2 N4 Ni O8 -","- C384 H512 Cl32 N64 Ni16 O128 -","16","1","TK6068","Neil F. Curtis; David C. Weatherburn","[(1<i>RS</i>,7<i>RS</i>,8<i>RS</i>,14<i>RS</i>)-5,12-Dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-κ^4^<i>N</i>^1,4,8,11^]nickel(II) perchlorate","Acta Crystallographica Section E","2002","58","8","m423","m425","10.1107/S1600536802012205","","","0.71073","MoKα","","0.092","0.041","","","0.078","0.083","","","","","","0.76","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201827","13.239","0.002","14.629","0.002","10.3595","0.0012","90","","90","","90","","2006.4","0.5","133","2","133","2","","","","","","","","4","F d d 2","F 2 -2d","43","","N,N'-Disuccinimidyl carbonate","","- C9 H8 N2 O7 -","- C9 H8 N2 O7 -","- C72 H64 N16 O56 -","8","0.5","BT6267","Simon, Monika; Csunderlik, Carol; Jones, Peter G.; Neda, Ion; Tarta-Micle, Andreea","<i>N,N</i>'-Disuccinimidyl carbonate","Acta Crystallographica Section E","2003","59","5","o683","o685","10.1107/S1600536803007803","","","0.71073","MoKα","","0.0298","0.0274","","","0.0712","0.073","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202236","20.786","0.002","32.459","0.003","9.727","0.0011","90","","90","","90","","6562.7","1.1","90","2","90","2","","","","","","","","6","F d d 2","F 2 -2d","43","Cl~2~Mg(OPPh~3~)~2~","","","- C36 H30 Cl2 Mg O2 P2 -","- C36 H30 Cl2 Mg O2 P2 -","- C288 H240 Cl16 Mg8 O16 P16 -","8","0.5","WW6077","Benjamin E. Kucera; Marilyn M. Olmstead; Robin S. Tanke; Susan M. Kauzlarich","Dichlorobis(triphenylphosphine oxide)magnesium","Acta Crystallographica Section E","2003","59","6","m359","m360","10.1107/S1600536803009723","","","0.71073","MoKα","","0.0235","0.0229","","","0.061","0.0613","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202404","29.425","0.005","9.2613","0.0014","13.69","0.002","90","","90","","90","","3730.7","1","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Hexaaquabis(dicyanoguanidine)terbium(III) trichloride","","- C4 H20 Cl3 N8 O6 Tb -","- C4 H20 Cl3 N8 O6 Tb -","- C32 H160 Cl24 N64 O48 Tb8 -","8","0.5","BT6375","Liao, Wuping; Hu, Chunhua; Dronskowski, Richard","Hexaaquabis(dicyanoguanidine)terbium(III) trichloride","Acta Crystallographica Section E","2003","59","12","m1124","m1126","10.1107/S1600536803025509","","","0.71073","MoKα","","0.0237","0.0222","","","0.0541","0.0548","","","","","","1.104","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202765","21.0806","0.0019","20.338","0.002","12.8637","0.0013","90","","90","","90","","5515.1","0.9","223","2","223","2","","","","","","","","3","F d d 2","F 2 -2d","43","","2,3,2',3'-tetrakis(2-pyridyl)-6,6'-biquinoxalinyl","","- C36 H22 N8 -","- C36 H22 N8 -","- C288 H176 N64 -","8","0.5","NA6274","Antonia Neels; Helen Stoeckli-Evans","An orthorhombic polymorph of 2,3,2',3'-tetrakis(2-pyridyl)-6,6'-biquinoxalinyl","Acta Crystallographica Section E","2003","59","12","o2030","o2031","10.1107/S1600536803027004","","","0.71073","MoKα","","0.0861","0.0363","","","0.0735","0.0866","","","","","","0.7","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202830","47.219","0.012","24.229","0.006","4.1085","0.001","90","","90","","90","","4700","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","4'-Bromomethyl-2-cyanobiphenyl","4'-Bromomethylbiphenyl-2-carbonitrile","","- C14 H10 Br N -","- C14 H10 Br N -","- C224 H160 Br16 N16 -","16","1","OB6317","Song, Qing-Bao; Li, Yi-Zhi; Qi, Chen-Ze; Shen, Tian-Hua; Wang, Hai-Bin","4'-Bromomethylbiphenyl-2-carbonitrile","Acta Crystallographica Section E","2003","59","12","o1944","o1945","10.1107/S1600536803025571","","","0.71073","MoKα","","0.0637","0.0448","","","0.0854","0.0882","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203214","11.722","0.002","16.945","0.003","9.898","0.002","90","","90","","90","","1966","0.6","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","3-Methyl-3-Pyrazolin-5-one","3-Methyl-3-Pyrazolin-5-one","","- C4 H6 N2 O -","- C4 H6 N2 O -","- C64 H96 N32 O16 -","16","1","OB6336","Zhenfeng Zhang; Shuo Jin; Siqian Wang; Bo Liu; Jianping Guo","3-Methyl-3-pyrazolin-5-one","Acta Crystallographica Section E","2004","60","2","o315","o316","10.1107/S160053680302974X","","","0.71073","MoKα","","0.045","0.0427","","","0.1137","0.1152","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204165","12.123","0.005","48.809","0.017","6.262","0.002","90","","90","","90","","3705","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[3-AH-2,6-DBP]2Br2.H2O","3-ammonium-2,6-dibromopyridine bromide hemihydrate","","- C5 H6 Br3 N2 O0.5 -","- C5 H6 Br3 N2 O0.5 -","- C80 H96 Br48 N32 O8 -","16","1","DN6151","Haddad, Salim F.; AlDamen, Murad A.; Al-Far, Rawhi H.","3-Ammonio-2,6-dibromopyridine bromide hemihydrate","Acta Crystallographica Section E","2004","60","9","o1491","o1493","10.1107/S1600536804018793","","","0.7107","MoKα","","0.0483","0.0321","","","0.0746","0.0789","","","","","","0.84","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204605","20.6356","0.0003","32.5388","0.0006","9.724","0.0001","90","","90","","90","","6529.25","0.17","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dichlorobis(triphenylphosphine oxide-κO)nickel(II)","","- C36 H30 Cl2 Ni O2 P2 -","- C36 H30 Cl2 Ni O2 P2 -","- C288 H240 Cl16 Ni8 O16 P16 -","8","0.5","AC6138","Moreno-Fuquen, Rodolfo; Cifuentes, Olga; Valderrama Naranjo, Jaime; Serratto, Luis Manuel; Kennedy, Alan R.","Dichlorobis(triphenylphosphine oxide-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2004","60","12","m1861","m1862","10.1107/S1600536804029125","","","0.71073","MoKα","","0.0296","0.026","","","0.0617","0.0631","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204693","12.837","0.003","27.526","0.006","8.14","0.002","90","","90","","90","","2876.3","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","Bis(pyridine-2-thione)dichlorocadmium(II)","Dichlorobis(pyridinium-2-thiolato)cadmium(II)","","- C10 H10 Cd Cl2 N2 S2 -","- C10 H10 Cd Cl2 N2 S2 -","- C80 H80 Cd8 Cl16 N16 S16 -","8","0.5","HB6120","Xiu-Jian Wang; Qing-Ling Ni; Xian-Shu Bi; Hong-Xia Jian","Dichlorobis(pyridinium-2-thiolato)cadmium(II)","Acta Crystallographica Section E","2004","60","12","m1859","m1860","10.1107/S1600536804029071","","","0.71073","MoKα","","0.0194","0.0183","","","0.0404","0.0407","","","","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204698","13.05","0.003","28.521","0.006","8.065","0.002","90","","90","","90","","3001.8","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dibromobis(pyridinium-2-thiolato-κS)cadmium(II)","","- C10 H10 Br2 Cd N2 S2 -","- C10 H10 Br2 Cd N2 S2 -","- C80 H80 Br16 Cd8 N16 S16 -","8","0.5","HB6128","Xiu-Jian Wang; Qing-Ling Ni; Zhong-Shu Shen","Dibromobis[pyridine-2(1<i>H</i>)-thione-κ<i>S</i>]cadmium(II)","Acta Crystallographica Section E","2004","60","12","m1918","m1919","10.1107/S1600536804029903","","","0.71073","MoKα","","0.0218","0.0199","","","0.046","0.0465","","","","","","0.993","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204807","29.0545","0.0014","42.7251","0.0015","4.784","0.001","90","","90","","90","","5938.6","1.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","poly[[(1H-benzimidazole-κN^3^)copper(II)]-μ~3~-(3-carboxylatophenoxyacetato- κ^4^O,O':O'':O''')]","","- C16 H12 Cu N2 O5 -","- C16 H12 Cu N2 O5 -","- C256 H192 Cu16 N32 O80 -","16","1","TK6198","Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Jing-Gui","A two-dimensional coordination polymer containing copper(II): poly[[(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II)]-μ~3~-3-carboxylatophenoxyacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section E","2004","60","12","m1936","m1938","10.1107/S1600536804030065","","","0.71073","MoKα","","0.052","0.041","","","0.095","0.102","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205284","25.342","0.005","44.671","0.005","5.7889","0.0009","90","","90","","90","","6553.3","1.8","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","tetrakis[(4-bromobenzyloxy)methyl]methane","","- C33 H32 Br4 O4 -","- C33 H32 Br4 O4 -","- C264 H256 Br32 O32 -","8","0.5","IS6045","Laliberté, Dominic; Raymond, Nathalie; Maris, Thierry; Wuest, James D.","Pentaerythrityl tetrakis(4-bromobenzyl ether)","Acta Crystallographica Section E","2005","61","3","o601","o603","10.1107/S160053680500351X","","","1.54178","CuKα","","0.0569","0.0547","","","0.1631","0.1653","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205980","18.033","0.005","39.553","0.005","7.265","0.005","90","","90","","90","","5182","4","295","","295","","","","","","","","","6","F d d 2","F 2 -2d","43","Bis(adeninium) hexachlorostannate(IV) hydrochloride hydrate","","","- C10 H22 Cl8 N10 O4 Sn -","- C10 H22 Cl8 N10 O4 Sn -","- C80 H176 Cl64 N80 O32 Sn8 -","8","0.5","IS6062","Bouacida, Sofiane; Hocine, Merazig; Beghidja, Adel; Beghidja, Chahrazed","Bis(adeninium) hexachlorostannate(IV) dichloride tetrahydrate","Acta Crystallographica Section E","2005","61","6","m1153","m1155","10.1107/S1600536805015163","","","0.71073","MoKα","","0.0291","0.0266","","","0.0597","0.061","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206274","26.088","0.004","37.204","0.006","6.5952","0.0011","90","","90","","90","","6401.2","1.8","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Z)-1-(2,5-dichlorophenyl)-2-(3-phenylthiazolidin-2-ylidene)ethanone","","- C17 H13 Cl2 N O S -","- C17 H13 Cl2 N O S -","- C272 H208 Cl32 N16 O16 S16 -","16","1","RZ6091","Xu, Liang-Zhong; Yu, Guan-Ping; Zhang, Pu-Yong; Li, Chun-Li","(<i>Z</i>)-1-(2,5-Dichlorophenyl)-2-(3-phenylthiazolidin-2-ylidene)ethanone","Acta Crystallographica Section E","2005","61","7","o2104","o2105","10.1107/S1600536805017964","","","0.71073","MoKα","","0.0832","0.0402","","","0.0764","0.0915","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206563","12.9935","0.0013","33.042","0.004","11.1555","0.0013","90","","90","","90","","4789.4","0.9","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","Ethyl 3-methyl-1-oxo-4H-1,4-benzothiazine-2-carboxylate","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C192 H208 N16 O48 S16 -","16","1","SU6218","Mehmet Akkurt; Sevim Türktekin; Yamna Baryala; Abdelfettah Zerzouf; Moussa Salem; El-Mokhtar Essassi; Orhan Büyükgüngör","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate","Acta Crystallographica Section E","2005","61","8","o2716","o2717","10.1107/S1600536805023548","","","0.71073","MoKα","","0.0409","0.0328","","","0.0787","0.0819","","","","","","1.004","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207167","33.358","0.003","37.815","0.004","9.657","0.001","90","","90","","90","","12182","2","193","2","193","2","","","","","","","","5","F d d 2","F 2 -2d","43","","cis-4-[2-4-Chlorophenyl)ethenyl]-1-methylpyridium tetraphenylborate","","- C38 H33 B Cl N -","- C38 H33 B Cl N -","- C608 H528 B16 Cl16 N16 -","16","1","CF6452","Jin, Dan; Zhang, Feng; Zhang, Yong; Zhang, De-Chun","4-[2-(4-Chlorophenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section E","2005","61","11","o3618","o3620","10.1107/S160053680503151X","","","0.7107","MoKα","","0.0706","0.0584","","","0.133","0.1405","","","","","","1.104","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207421","22.247","0.005","31.175","0.006","4.8562","0.001","90","","90","","90","","3368","1.2","294","2","294","2","","","","","","","","3","F d d 2","F 2 -2d","43","","3,3'-Dihydroxy-4,4'-(propane-1,3-diyldioxy)dibenzaldehyde","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","0.5","AT6046","Fan, Zhi; Diao, Chun-Hua; Guo, Min-Jie; Yu, Ming; Chen, Xin","3,3'-Dihydroxy-4,4'-(propane-1,3-diyldioxy)dibenzaldehyde","Acta Crystallographica Section E","2005","61","12","o4004","o4005","10.1107/S1600536805034665","","","0.71073","MoKα","","0.0439","0.0306","","","0.0661","0.0738","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208067","16.838","0.009","26.184","0.014","8.419","0.005","90","","90","","90","","3712","4","294","2","294","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl acetate","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C128 H192 N32 O64 -","16","1","GH6031","Xin Chen; Zhi Fan; Ming Yu; Zuo-Liang Jing; Chun-Hua Diao; Qi-Liang Deng","1-(Carbamoylmethyl)-5-oxopyrrolidin-3-yl acetate","Acta Crystallographica Section E","2006","62","2","o478","o479","10.1107/S1600536806000122","","","0.71073","MoKα","","0.04","0.0309","","","0.0786","0.0821","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208525","20.625","0.005","30.408","0.005","5.08","0.005","90","","90","","90","","3186","3","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","p-Nitroaniline hydrobromide","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C96 H112 Br16 N32 O32 -","16","1","BT2035","Lemmerer, Andreas; Billing, David G.","<i>p</i>-Nitroaniline hydrobromide","Acta Crystallographica Section E","2006","62","4","o1562","o1564","10.1107/S1600536806010166","","","0.71069","MoKα","","","0.0236","","","","0.0563","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208914","29.245","0.011","11.54","0.005","14.945","0.006","90","","90","","90","","5044","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","dihippuratobis(imidazole)cobalt(II)","Bis(N-benzoylglycinato)diimidazolecobalt(II)","","- C24 H24 Co N6 O6 -","- C24 H24 Co N6 O6 -","- C192 H192 Co8 N48 O48 -","8","0.5","IS2017","Dobrzyńska, Danuta; Lis, Tadeusz; Woźniak, Joanna","Bis(<i>N</i>-benzoylglycinato)diimidazolecobalt(II)","Acta Crystallographica Section E","2006","62","5","m1006","m1008","10.1107/S1600536806011901","","","0.71073","MoKα","","0.0591","0.0391","","","0.0576","0.0605","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209021","11.3708","0.0011","27.215","0.003","11.3","0.0011","90","","90","","90","","3496.9","0.6","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[4-(Dimethylamino)pyridine-κN]bis(pentane-2,4-dionato-κ^2^O,O')copper(II)","","- C17 H24 Cu N2 O4 -","- C17 H24 Cu N2 O4 -","- C136 H192 Cu8 N16 O32 -","8","0.5","TK2030","Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David","[4-(Dimethylamino)pyridine-κ<i>N</i>]bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2006","62","5","m1142","m1143","10.1107/S1600536806014528","","","0.71073","MoKα","","0.027","0.026","","","0.063","0.064","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209443","22.01","0.004","47.491","0.005","5.436","0.002","90","","90","","90","","5682","2","298","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis{4-Bromo-2-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II) dinitrate","","- C22 H30 Br2 N6 O8 Zn -","- C22 H30 Br2 N6 O8 Zn -","- C176 H240 Br16 N48 O64 Zn8 -","8","0.5","CI2065","Qing Wang; Xiao-Niu Fang","Bis{4-Bromo-2-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II) dinitrate","Acta Crystallographica Section E","2006","62","7","m1558","m1559","10.1107/S1600536806021908","","","0.71073","MoKα","","0.206","0.0892","","","0.1864","0.2399","","","","","","0.945","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209655","12.873","0.007","16.835","0.008","12.035","0.008","90","","90","","90","","2608","3","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(2-aminopyridinium) sulfate","","- C10 H14 N4 O4 S -","- C10 H14 N4 O4 S -","- C80 H112 N32 O32 S8 -","8","0.5","SJ2069","Samuel Robinson Jebas.; Thailampillai Balasubramanian; Rene Peschar; Jan Fraanje","Bis(2-aminopyridinium) sulfate","Acta Crystallographica Section E","2006","62","7","o2606","o2607","10.1107/S1600536806019593","","","1.5418","CuKα","","","0.031","","","","0.0855","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209883","18.212","0.004","18.318","0.004","7.533","0.0015","90","","90","","90","","2513.1","0.9","294","2","294","2","","","","","","","","4","F d d 2","F 2 -2d","43","","N-Acryloyl glycine","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C80 H112 N16 O48 -","16","1","HK2075","Lv, Zhi-Fang; Xu, Bin; Wang, Jin-Tang","<i>N</i>-Acryloylglycine","Acta Crystallographica Section E","2006","62","8","o3344","o3345","10.1107/S1600536806026201","","","0.71073","MoKα","","0.0463","0.0429","","","0.0986","0.1016","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210026","15.128","0.0008","59.932","0.003","10.9468","0.0005","90","","90","","90","","9924.9","0.9","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","Cilnidipine","3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4- dihydropyridine-3,5-dicarboxylate","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C432 H448 N32 O112 -","16","1","XU2068","Ai-Xi Hu; Xiao-Yun Wu; Gao Cao","3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","8","o3161","o3162","10.1107/S1600536806024883","","","0.71073","MoKα","","0.078","0.051","","","0.128","0.152","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210308","17.832","0.003","45.098","0.004","9.0363","0.0007","90","","90","","90","","7266.9","1.5","120","2","120","2","","","","","","","","8","F d d 2","F 2 -2d","43","","(Acetonitrile)bis(tri-tert-butoxysilanethiolato-κ^2^O,S)cobalt(II)‒ (acetonitrile)bis(tri-tert-butoxysilanethiolato-κ^2^O,S)zinc(II) [0.81(5)/0.19(5)]","","- C26 H57 Co0.81 N O6 S2 Si2 Zn0.19 -","- C26 H57 Co0.81 N O6 S2 Si2 Zn0.19 -","- C208 H456 Co6.48 N8 O48 S16 Si16 Zn1.52 -","8","0.5","KJ2024","Kropidłowska, Anna; Chojnacki, Jaroslaw; Gołaszewska, Jolanta; Becker, Barbara","Solid solution of [<i>M</i>{SSi(OBu<i>^t^</i>)~3~}~2~(NCMe)], where <i>M</i> = Zn and Co","Acta Crystallographica, Section E","2006","62","9","m2260","m2262","10.1107/S1600536806032673","","","0.71073","MoKα","","0.0541","0.0505","","","0.1154","0.1177","","","","","","1.051","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210451","14.542","0.004","40.468","0.011","10.874","0.003","90","","90","","90","","6399","3","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","SYP-185","Isopropylideneamino 12H-dibenzo[d,g][1,3]dioxocine-6-carboxylate","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C288 H272 N16 O64 -","16","1","YA2016","Jin, Rui-Fa; Ji, Hai-Ying; Xiang, Dong; Li, Bin","Isopropylideneamino-12<i>H</i>-dibenzo[<i>d</i>,<i>g</i>][1,3]dioxocine-6-carboxylate","Acta Crystallographica Section E","2006","62","9","o3699","o3700","10.1107/S1600536806030418","","","0.71073","MoKα","","0.102","0.046","","","0.08","0.096","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210534","25.4415","0.0006","12.4043","0.0003","20.1696","0.0005","90","","90","","90","","6365.2","0.3","293","2","","","","","","","","","","6","F d d 2","F 2 -2d","43","","Hexakis(dimethyl sulfoxide)manganese(II) bis(perchlorate)","","- C12 H36 Cl2 Mn O14 S6 -","- C12 H36 Cl2 Mn O14 S6 -","- C96 H288 Cl16 Mn8 O112 S48 -","8","0.5","CI2099","A. Migdał-Mikuli; E. Szostak; W. Nitek","Hexakis(dimethyl sulfoxide)manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2006","62","10","m2581","m2582","10.1107/S1600536806036026","","","0.71073","MoKα","","","0.0441","","","","0.1155","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210657","14.253","0.016","20.66","0.02","8.057","0.009","90","","90","","90","","2373","4","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","work","2,4-Bis(methoxymethyl)-1,3,5-trimethylbenzene","","- C13 H20 O2 -","- C13 H20 O2 -","- C104 H160 O16 -","8","0.5","HK2120","Liliana Dobrzańska; Greta Heydenrych","2,4-Bis(methoxymethyl)-1,3,5-trimethylbenzene","Acta Crystallographica Section E","2006","62","10","o4710","o4712","10.1107/S1600536806038074","","","0.71073","MoKα","","0.0862","0.0699","","","0.1556","0.1651","","","","","","1.092","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210706","27.7541","0.0004","34.1948","0.0004","5.6487","0.0001","90","","90","","90","","5360.88","0.14","100","0.1","297","2","","","","","","","","3","F d d 2","F 2 -2d","43","","3,4-Dimethoxychalcone","","- C17 H16 O3 -","- C17 H16 O3 -","- C272 H256 O48 -","16","1","LH2175","Venkataraya Shettigar; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; P. S. Patil; S. M. Dharmaprakash","3,4-Dimethoxychalcone","Acta Crystallographica Section E","2006","62","10","o4646","o4647","10.1107/S1600536806036920","","","0.71073","MoKα","","0.0435","0.0392","","","0.0999","0.1033","","","","","","1.082","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210726","22.321","0.005","47.887","0.01","15.392","0.003","90","","90","","90","","16452","6","298","2","298","2","","","","","","","","7","F d d 2","F 2 -2d","43","","μ-3,3'-Bisacetylacetonato-bis[(1,10-phenanthroline)palladium(II)] hexafluorophosphate acetonitrile solvate","","- C36 H31 F12 N5 O4 P2 Pd2 -","- C36 H31 F12 N5 O4 P2 Pd2 -","- C576 H496 F192 N80 O64 P32 Pd32 -","16","1","NG2095","Guang-Quan Mei; Ke-Long Huang; Hai-Ping Huang","μ-3,3'-Bisacetylacetonato-bis[(1,10-phenanthroline)palladium(II)] bis(hexafluorophosphate) acetonitrile solvate","Acta Crystallographica Section E","2006","62","10","m2743","m2744","10.1107/S1600536806039092","","","0.71073","MoKα","","0.0551","0.0497","","","0.1462","0.1531","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210849","22.99","0.003","36.609","0.005","3.711","0.003","90","","90","","90","","3123","3","298","2","298","2","","","","","","","","3","F d d 2","F 2 -2d","43","Daphnetin","7,8-dihydroxy-2H-chromen-2-one hemihydrate","","- C9 H7 O4.5 -","- C9 H7 O4.5 -","- C144 H112 O72 -","16","1","AC2044","Yong-Bin Lu; Qi-Tai Zheng; Yang Lu","Redetermination of 7,8-dihydroxy-2<i>H</i>-chromen-2-one hemihydrate","Acta Crystallographica Section E","2006","62","11","o5315","o5316","10.1107/S1600536806036919","","","0.71073","MoKα","","0.0426","0.0425","","","0.1103","0.1104","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210966","11.332","0.007","50.73","0.02","9.001","0.003","90","","90","","90","","5174","4","293","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","catena-Poly[bis[[dichlorozinc(II)]-μ-pyridine-4-carboxylato-κ^2^N,O] hexaaquazinc(II) dihydrate]","","- C12 H24 Cl4 N2 O12 Zn3 -","- C12 H24 Cl4 N2 O12 Zn3 -","- C96 H192 Cl32 N16 O96 Zn24 -","8","0.5","DN2072","Li, Bao; Ye, Ling; Guang-Feng Hou; Guang-Di Yang; Li-Xin Wu","<i>catena</i>-Poly[hexaaquazinc(II) [bis[dichlorozincate(II)]-μ-pyridine-4-carboxylato-κ^2^<i>N</i>,<i>O</i>] dihydrate]","Acta Crystallographica Section E","2006","62","11","m2932","m2933","10.1107/S1600536806041705","","","0.71073","MoKα","","0.0536","0.0457","","","0.0807","0.0842","","","","","","1.079","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211172","16.389","0.002","34.178","0.004","9.729","0.002","90","","90","","90","","5449.6","1.5","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","N,N,N',N'-Tetraphenyl-1,1'-biphenyl-4,4'-diamine","","- C36 H28 N2 -","- C36 H28 N2 -","- C288 H224 N16 -","8","0.5","RZ2078","Zhang, Hai-Guang; Yu, Wen-Tao; Yan, Shi-Na; Cheng, Chao; Tao, Xu-Tang","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraphenyl-1,1'-biphenyl-4,4'-diamine","Acta Crystallographica Section E","2006","62","11","o5236","o5238","10.1107/S1600536806042978","","","0.71073","MoKα","","0.1187","0.0566","","","0.1266","0.1581","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211892","67.786","0.004","34.613","0.002","4.6486","0.0002","90","","90","","90","","10906.9","1","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","N-(5-Chloro-2-nitrobenzoyl)-N'-isonicotinoylhydrazine","","- C13 H9 Cl N4 O4 -","- C13 H9 Cl N4 O4 -","- C416 H288 Cl32 N128 O128 -","32","2","LH2269","Souza, M. V. N. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>-(5-Chloro-2-nitrobenzoyl)-<i>N</i>'-isonicotinoylhydrazine: a three-dimensional framework containing four types of hydrogen bond","Acta Crystallographica Section E","2007","63","1","o230","o232","10.1107/S1600536806052524","","","0.71073","MoKα","","0.0773","0.0507","","","0.092","0.1017","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212577","18.5845","0.0018","6.4186","0.0007","8.879","0.001","90","","90","","90","","1059.1","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Disilver(I) tetrahydroxodioxotellurate(VI)","","- Ag2 H4 O6 Te -","- Ag2 H4 O6 Te -","- Ag16 H32 O48 Te8 -","8","0.5","HB2295","Weil, Matthias","Redetermination of Ag~2~[TeO~2~(OH)~4~]: a revised hydrogen-bonding scheme","Acta Crystallographica Section E","2007","63","3","i77","i79","10.1107/S1600536807007970","","","0.71073","MoKα","","0.0335","0.0327","","","0.0383","0.0386","","","","","","1.089","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212824","12.8511","0.0001","55.155","0.0006","10.0623","0.0001","90","","90","","90","","7132.18","0.12","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichlorido[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine]copper(II)","","- C20 H14 Cl2 Cu N4 -","- C20 H14 Cl2 Cu N4 -","- C320 H224 Cl32 Cu16 N64 -","16","1","CI2313","Naser Eltaher Eltayeb; Siang Guan Teoh; Hoong-Kun Fun; Kamarulazizi Ibrahim; Mohd Mustaqim Rosli","Dichlorido[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine]copper(II)","Acta Crystallographica Section E","2007","63","4","m1182","m1184","10.1107/S1600536807013050","","","0.71073","MoKα","","0.0316","0.0253","","","0.0623","0.0697","","","","","","1.1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212873","28.1492","0.0015","24.1628","0.0013","3.7181","0.0005","90","","90","","90","","2528.9","0.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","N,N'-Bis(isonicotinoyl)hydrazine dihydrate","","- C12 H14 N4 O4 -","- C12 H14 N4 O4 -","- C96 H112 N32 O32 -","8","0.5","GG3079","Quiroga, Jairo; Portilla, Jaime; Cobo, Justo; Torre, José M. de la; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Bis(isonicotinoyl)hydrazine dihydrate at 120(2)K: a three-dimensional framework built from N—H···O, O—H···O, O—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section E","2007","63","4","o1687","o1690","10.1107/S1600536807010112","","","0.71073","MoKα","","0.0846","0.0658","","","0.1744","0.2011","","","","","","1.136","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213418","40.837","0.008","7.457","0.002","17.424","0.004","90","","90","","90","","5306","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(μ~2~-dihydrogen phosphato-κ^2^O:O')(μ~2~-hydrogen phosphate-κ^2^O:O')bis[(1,10-phenanthroline-κ^2^N,N')manganese(II)]","","- C24 H21 Mn2 N4 O12 P3 -","- C24 H21 Mn2 N4 O12 P3 -","- C192 H168 Mn16 N32 O96 P24 -","8","0.5","IM2010","Huan-Xin Liu; Xiao Jiang; Yun-xiao Liang","Bis(μ~2~-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-hydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]","Acta Crystallographica Section E","2007","63","5","m1472","m1472","10.1107/S1600536807019332","","","0.71073","MoKα","","0.0215","0.0208","","","0.0497","0.0498","","","","","","1.146","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213467","20.079","0.004","25.646","0.005","11.485","0.002","90","","90","","90","","5914.2","1.9","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","catena-Poly[[diaquabis[(4-nitrophenylsulfinyl)acetato-κO]zinc(II)]- μ-4,4'-bipyridine-κ^2^N:N']","","- C26 H24 N4 O12 S2 Zn -","- C26 H24 N4 O12 S2 Zn -","- C208 H192 N32 O96 S16 Zn8 -","8","0.5","LH2371","Hou, Yan-Jun; Yu, Ying-Hui; Sun, Zhi-Zhong; Li, Bai-Yan; Hou, Guang-Feng","<i>catena</i>-Poly[[diaquabis[(4-nitrophenylsulfinyl)acetato-κ<i>O</i>]zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","5","m1530","m1530","10.1107/S1600536807020260","","","0.71073","MoKα","","0.0314","0.0293","","","0.0755","0.0772","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213911","20.129","0.004","25.466","0.005","11.413","0.002","90","","90","","90","","5850.4","1.9","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","<i>catena</i>-Poly[[[diaquabis[(4-chlorophenylsulfinyl)acetato-\ κ<i>O</i>]cobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N']","","- C26 H24 Cl2 Co N2 O8 S2 -","- C26 H24 Cl2 Co N2 O8 S2 -","- C208 H192 Cl16 Co8 N16 O64 S16 -","8","0.5","NG2260","Hou, Yan-Jun; Yu, Ying-Hui; Sun, Zhi-Zhong; Li, Bai-Yan; Hou, Guang-Feng","<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato-κ<i>O</i>]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","6","m1560","m1560","10.1107/S160053680702065X","","","0.71073","MoKα","","0.0527","0.0403","","","0.0763","0.0809","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214003","12.994","0.003","35.859","0.012","6.983","0.002","90","","90","","90","","3253.7","1.6","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","N,N'-bis(3-nitrobenzylidene)propane-1,3-diamine","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C136 H128 N32 O32 -","8","0.5","XU2251","Habibi, Mohammad Hossein; Mokhtari, Reza; Harrington, Ross W.; Clegg, William","The Schiff base <i>N</i>,<i>N</i>'-bis(3-nitrobenzylidene)propane-1,3-diamine","Acta Crystallographica Section E","2007","63","6","o2881","o2881","10.1107/S1600536807021940","","","0.71073","MoKα","","0.051","0.039","","","0.096","0.104","","","","","","1.145","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214131","18.722","0.004","31.454","0.006","7.2137","0.0014","90","","90","","90","","4248","1.5","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(2-Chlorophenyl)-N-methylisoxazole-5-carboxamide","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C176 H144 Cl16 N32 O32 -","16","1","CV2248","Xin-Hong Chang","3-(2-Chlorophenyl)-<i>N</i>-methylisoxazole-5-carboxamide","Acta Crystallographica Section E","2007","63","7","o3074","o3074","10.1107/S1600536807025895","","","0.71073","MoKα","","0.0331","0.0315","","","0.0808","0.0821","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214245","20.543","0.0005","54.5902","0.0015","5.1134","0.0001","90","","90","","90","","5734.4","0.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1-(6-Chloropyridin-3-ylmethyl)-3-phenyl-1<i>H</i>-pyrazole-5-carboxylic acid","","- C16 H12 Cl N3 O2 -","- C16 H12 Cl N3 O2 -","- C256 H192 Cl16 N48 O32 -","16","1","HG2243","Tang, Zheng; Tang, Zheng; Ding, Xiao-Ling; Dong, Wen-Liang; Zhao, Bao-Xiang","1-(6-Chloropyridin-3-ylmethyl)-3-phenyl-1<i>H</i>-pyrazole-5-carboxylic acid","Acta Crystallographica Section E","2007","63","7","o3348","o3348","10.1107/S1600536807030954","","","0.71073","MoKα","","0.0822","0.0442","","","0.0821","0.0951","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214327","20.269","0.004","25.503","0.006","11.345","0.011","90","","90","","90","","5864","6","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato- κ<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C26 H24 Cl2 N2 Ni O8 S2 -","- C26 H24 Cl2 N2 Ni O8 S2 -","- C208 H192 Cl16 N16 Ni8 O64 S16 -","8","0.5","LH2434","Su, Yu; Hou, Yan-Jun; Sun, Zhi-Zhong; Li, Bai-Yan; Hou, Guang-Feng","<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato-κ<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","7","m1970","m1970","10.1107/S1600536807029832","","","0.71073","MoKα","","0.0343","0.0306","","","0.069","0.0708","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214346","20.194","0.005","25.528","0.008","11.458","0.006","90","","90","","90","","5907","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato-κ<i>O</i>]\ zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C26 H24 Cl2 N2 O8 S2 Zn -","- C26 H24 Cl2 N2 O8 S2 Zn -","- C208 H192 Cl16 N16 O64 S16 Zn8 -","8","0.5","NG2270","Hou, Yan-Jun; Li, Bai-Yan; Yu, Ying-Hui; Sun, Zhi-Zhong; Hou, Guang-Feng","<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato-κ<i>O</i>]zinc(II)]-μ-4,4'bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","7","m1838","m1838","10.1107/S1600536807025299","","","0.71073","MoKα","","0.0267","0.0241","","","0.0603","0.0618","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214356","25.664","0.005","20.103","0.007","11.705","0.002","90","","90","","90","","6039","3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato- κ<i>O</i>]cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C26 H24 Cd Cl2 N2 O8 S2 -","- C26 H24 Cd Cl2 N2 O8 S2 -","- C208 H192 Cd8 Cl16 N16 O64 S16 -","8","0.5","NG2288","Su, Yu; Hou, Yan-Jun; Sun, Zhi-Zhong; Li, Bai-Yan; Hou, Guang-Feng","<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato-κ<i>O</i>]cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2007","63","7","m2005","m2005","10.1107/S1600536807030693","","","0.71073","MoKα","","0.0279","0.0252","","","0.0609","0.0622","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214771","18.988","0.003","32.249","0.006","12.883","0.002","90","","90","","90","","7889","2","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","catena-Poly[[[aquabis(acetato-κO)copper(II)]-μ-1,3-di-4-pyridylpropane-\ κ^2^N:N'] monohydrate]","","- C17 H24 Cu N2 O6 -","- C17 H24 Cu N2 O6 -","- C272 H384 Cu16 N32 O96 -","16","1","KP2117","Zhong-Xiang Du; Jun-Xia Li","<i>catena</i>-Poly[[[aquabis(acetato-κ<i>O</i>)copper(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] monohydrate]","Acta Crystallographica Section E","2007","63","8","m2133","m2134","10.1107/S160053680703334X","","","0.71073","MoKα","","0.0796","0.0472","","","0.0978","0.1175","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2215194","26.286","0.004","32.908","0.005","11.1681","0.0017","90","","90","","90","","9661","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis{2,4-dibromo-6-[(2-oxidoethylimino)methyl]phenolato-κ^3^O,N,O'}manganese(IV) methanol hemisolvate monohydrate","","- C18.4 H18 Br4 Mn N2 O5.5 -","- C18.5 H18 Br4 Mn N2 O5.5 -","- C296 H288 Br64 Mn16 N32 O88 -","16","1","KP2132","Jiang Gang-Biao; Zhang, Shu-Hua; Zeng, Ming-Hua","Bis{2,4-dibromo-6-[(2-oxidoethylimino)methyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}manganese(IV) methanol hemisolvate monohydrate","Acta Crystallographica Section E","2007","63","9","m2418","m2419","10.1107/S1600536807041037","","","0.71073","MoKα","","0.0682","0.0511","","","0.1271","0.1334","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2215262","20.0791","0.0006","5.9534","0.0002","10.2062","0.0003","90","","90","","90","","1220.04","0.07","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","trisodium dihydroxidotetraoxidoneptunate(VII)","","- H2 Na3 Np O6 -","- H2 Na3 Np O6 -","- H16 Na24 Np8 O48 -","8","0.5","SG2188","Grigoriev, Mikhail S.; Krot, Nikolai N.","Reinvestigation of trisodium dihydroxidotetraoxidoneptunate(VII)","Acta Crystallographica Section E","2007","63","9","i176","i176","10.1107/S1600536807039025","","","0.71073","MoKα","","0.0141","0.0116","","","0.0219","0.0222","","","","","","1.25","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215491","30.626","0.005","12.981","0.002","17.164","0.002","90","","90","","90","","6823.7","1.7","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","Poly-[trimethyltin-3-{(carboxyphenyl)amino}cyclohexen-2-one]","<it>catena</it>-Poly[[trimethyltin(IV)]-μ-2-[(3-oxocyclohex-1- enyl)amino]benzoato-κ^2^<it>O</it>:<it>O</it>']","","- C16 H21 N O3 Sn -","- C16 H21 N O3 Sn -","- C256 H336 N16 O48 Sn16 -","16","1","GW2023","Vieira, Flaviana T.; Menezes, Daniele C.; de Lima, Geraldo M.; Ardisson, José D.; Maia, José R. da S.; Speziali, Nivaldo L.","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2-[(3-oxocyclohex-1-enyl)amino]benzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2007","63","10","m2587","m2587","10.1107/S1600536807044273","","","0.71073","MoKα","","0.0284","0.0239","","","0.0764","0.0866","","","","","","0.74","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216476","23.8527","0.0015","40.936","0.003","5.078","0.0004","90","","90","","90","","4958.3","0.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","N-(4-Chlorophenyl)-2-nitrobenzamide","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C208 H144 Cl16 N32 O48 -","16","1","HB2615","Saeed, Aamer; Hussain, Shahid; Bolte, Michael","<i>N</i>-(4-Chlorophenyl)-2-nitrobenzamide","Acta Crystallographica Section E","2007","63","12","o4615","o4615","10.1107/S1600536807055742","","","0.71073","MoKα","","0.0359","0.0342","","","0.0884","0.0896","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216602","18.626","0.004","42.112","0.008","5.0536","0.001","90","","90","","90","","3963.9","1.4","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[3-(Propenamido)phenyl]boronic acid","","- C9 H10 B N O3 -","- C9 H10 B N O3 -","- C144 H160 B16 N16 O48 -","16","1","KJ2069","Zhang, Dan; Harrington, Laura E.; Tanaka, Hiroo; Pelton, Robert","[3-(Propenamido)phenyl]boronic acid","Acta Crystallographica Section E","2007","63","12","o4628","","10.1107/S1600536807055389","","","0.71073","MoKα","","0.0562","0.0385","","","0.0969","0.1075","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216921","17.515","0.004","29.66","0.006","5.768","0.0012","90","","90","","90","","2996.4","1.1","298","2","298","2","","","","","","","","3","F d d 2","F 2 -2d","43","","6,6'-Oxydichroman","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","0.5","BQ2049","Wang, Meng; Ye, Yong-Hao","6,6'-Oxydichroman","Acta Crystallographica Section E","2008","64","1","o308","o308","10.1107/S1600536807066779","","","0.71073","MoKα","","0.0752","0.0725","","","0.2126","0.2163","","","","","","1.128","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216973","13.682","0.012","13.926","0.012","12.215","0.01","90","","90","","90","","2327","3","297","2","297","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>N,N</i>-Bis(2-bromoethyl)aniline","","- C10 H13 Br2 N -","- C10 H13 Br2 N -","- C80 H104 Br16 N8 -","8","0.5","CF2168","Bojan, R. Vilma; Varga, Richard A.; Silvestru, Cristian","<i>N</i>,<i>N</i>-Bis(2-bromoethyl)aniline","Acta Crystallographica Section E","2008","64","1","o86","o86","10.1107/S1600536807056279","","","0.71073","MoKα","","0.0526","0.0373","","","0.0827","0.0876","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216984","22.557","0.008","26.291","0.009","7.528","0.003","90","","90","","90","","4464","3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-Amino-1-phenyl-4-(propan-2-ylidene)pyrazol-5(4H)-one","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C192 H208 N48 O16 -","16","1","CI2526","Ren-Gao Zhao; Jie Lu; Ji-Kun Li","3-Amino-1-phenyl-4-(propan-2-ylidene)pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2008","64","1","o84","o84","10.1107/S1600536807063234","","","0.71073","MoKα","","0.0834","0.0494","","","0.1187","0.1384","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217042","20.757","0.004","44.434","0.009","5.626","0.0011","90","","90","","90","","5189","1.8","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","2-(9H-Fluoren-9-ylidenemethyl)thiophene","","- C18 H12 S -","- C18 H12 S -","- C288 H192 S16 -","16","1","FJ2086","Perašínová, Lucia,; Martin Štefko; Végh, Daniel; Kožíšek, Jozef","2-(9<i>H</i>-Fluoren-9-ylidenemethyl)thiophene","Acta Crystallographica Section E","2008","64","1","o274","o274","10.1107/S1600536807065099","","","0.71073","MoKα","","0.0693","0.0345","","","0.0739","0.0897","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217305","14.903","0.004","30.511","0.006","3.777","0.0008","90","","90","","90","","1717.4","0.7","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","1,2-Di-2-furylethane-1,2-dione","","- C10 H6 O4 -","- C10 H6 O4 -","- C80 H48 O32 -","8","0.5","SJ2428","Fang-Fang Jian; Ke-Fei Wang; Rui-Rui Zhuang","1,2-Di-2-furylethane-1,2-dione","Acta Crystallographica Section E","2008","64","1","o196","o196","10.1107/S1600536807063568","","","0.71073","MoKα","","0.0476","0.0414","","","0.1072","0.1125","","","","","","1.139","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217330","18.686","0.004","44.033","0.008","10.3812","0.0018","90","","90","","90","","8542","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Aqua(4-hydroxypyridine-2,6-dicarboxylato)(1,10-phenanothroline)copper(II) 4.5-hydrate","","- C19 H22 Cu N3 O10.5 -","- C19 H22 Cu N3 O10.5 -","- C304 H352 Cu16 N48 O168 -","16","1","SU2032","Aghabozorg, Hossein; Motyeian, Elham; Soleimannejad, Janet; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar","Aqua(4-hydroxypyridine-2,6-dicarboxylato)(1,10-phenanothroline)copper(II) 4.5-hydrate","Acta Crystallographica Section E","2008","64","1","m252","m253","10.1107/S1600536807067207","","","0.71073","MoKα","","0.0336","0.0274","","","0.0643","0.0659","","","","","","1.013","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217381","58.347","0.011","33.712","0.003","5.3211","0.0008","90","","90","","90","","10467","3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4'-(2,5,8,11,14-Pentaoxadicyclo[13.4.0]nonadeca-15,17,19-trien-17-yloxy)-\ 2,2':6',2''-terpyridine","","- C29 H29 N3 O6 -","- C29 H29 N3 O6 -","- C464 H464 N48 O96 -","16","1","YA2062","Logacheva, Nadezhda M.; Puryaeva, Tamara P.; Tsivadze, Aslan Yu.; Velikodny, Yurii A.; Chernyshev, Vladimir V.","4'-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-15,17,19-trien-17-yloxy)-2,2':6',2''-terpyridine: a powder study","Acta Crystallographica Section E","2008","64","1","o225","o225","10.1107/S1600536807064999","","","1.54059","CuKα~1~","","","","","","","","","","1.3626","","","","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2217542","26.519","0.005","36.509","0.007","3.849","0.0008","90","","90","","90","","3726.5","1.3","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione","","- C10 H6 F N O2 S -","- C10 H6 F N O2 S -","- C160 H96 F16 N16 O32 S16 -","16","1","HK2407","Sun, Hong-Shun; Xu, Ye-Ming; He, Wei; Tang, Shi-Gui; Guo, Cheng","(<i>Z</i>)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2008","64","2","o524","o524","10.1107/S1600536807068316","","","0.71073","MoKα","","0.0868","0.0531","","","0.106","0.1207","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217557","16.3846","0.0002","62.8985","0.0008","14.5581","0.0002","90","","90","","90","","15003.1","0.3","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","[2,6-Bis(5-chloropyrimidin-2-yl)pyridine-κ^3^N^1^,N^2^,N^6^](2,2':6',2''- terpyridine-κ^3^N,N',N'')ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate","","- C32 H24 Cl2 F12 N10 P2 Ru -","- C32 H24 Cl2 F12 N10 P2 Ru -","- C512 H384 Cl32 F192 N160 P32 Ru16 -","16","1","HY2110","Medlycott, Elaine A.; Wang, Jianhua; Hanan, Garry S.","[2,6-Bis(5-chloropyrimidin-2-yl-κ<i>N</i>)pyridine-κ<i>N</i>](2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2008","64","2","m326","m326","10.1107/S1600536807068602","","","1.54178","CuKα","","0.0298","0.0288","","","0.072","0.0724","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217826","27.613","0.006","26.404","0.005","4.4313","0.0009","90","","90","","90","","3230.8","1.1","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","","1,5-Bis(2-formylphenoxy)-3-oxapentane","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","0.5","SI2065","Dionysio, Nívea C. F.; Bordinhão, Jairo; Visentin, Lorenzo do Canto; Ronconi, Célia Machado","1,5-Bis(2-formylphenoxy)-3-oxapentane","Acta Crystallographica Section E","2008","64","3","o546","","10.1107/S1600536808002948","","","0.71073","MoKα","","0.1602","0.0512","","","0.0746","0.0966","","","","","","0.986","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218954","24.1258","0.0004","39.3926","0.0007","5.4878","0.0001","90","","90","","90","","5215.48","0.16","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Dicyclohexylammonium bromide","","- C12 H24 Br N -","- C12 H24 Br N -","- C192 H384 Br16 N16 -","16","1","CI2641","Lo, Kong Mun; Ng, Seik Weng","Dicyclohexylammonium bromide","Acta Crystallographica Section E","2008","64","8","o1624","","10.1107/S1600536808023155","","","0.71073","MoKα","","0.0486","0.0345","","","0.096","0.1392","","","","","","0.981","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219359","17.515","0.003","29.66","0.004","5.7678","0.0008","90","","90","","90","","2996.3","0.8","292","2","292","2","","","","","","","","3","F d d 2","F 2 -2d","43","","Bis(1,2,3,4-tetrahydroquinolin-6-yl)methane","","- C19 H22 N2 -","- C19 H22 N2 -","- C152 H176 N16 -","8","0.5","HK2506","Shen, Li; Liu, Qi; Shen, Hai-Jun","Bis(1,2,3,4-tetrahydroquinolin-6-yl)methane","Acta Crystallographica Section E","2008","64","9","o1747","","10.1107/S1600536808025464","","","0.71073","MoKα","","0.0496","0.0478","","","0.1357","0.1375","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219441","25.548","0.002","23.0626","0.0019","7.2689","0.0009","90","","90","","90","","4282.9","0.7","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","Acetoguanamine <i>N</i>,<i>N</i>-dimethylformamide solvate","2,4-diamino-6-methyl-1,3,5-triazine <i>N</i>,<i>N</i>-dimethylformamide solvate","","- C7 H14 N6 O -","- C7 H14 N6 O -","- C112 H224 N96 O16 -","16","1","TK2285","Portalone, Gustavo","Acetoguanamine <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2008","64","9","o1685","","10.1107/S1600536808023842","","","0.71073","MoKα","","0.074","0.047","","","0.119","0.127","","","","","","0.91","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219751","24.0023","0.0014","12.635","0.0006","17.6528","0.0006","90","","90","","90","","5353.5","0.4","225","2","225","2","","","","","","","","6","F d d 2","F 2 -2d","43","","[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](nitrato-κ<i>O</i>)nickel(II)","","- C24 H43 N Ni O3 P2 -","- C24 H43 N Ni O3 P2 -","- C192 H344 N8 Ni8 O24 P16 -","8","0.5","AT2643","Boro, Brian J.; Dickie, Diane A.; Duesler, Eileen N.; Goldberg, Karen I.; Kemp, Richard A.","[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](nitrato-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2008","64","11","m1402","","10.1107/S1600536808032376","","","0.71073","MoKα","","0.035","0.0301","","","0.093","0.0988","","","","","","0.805","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220175","26.4612","0.0016","32.8657","0.0019","9.4679","0.0006","90","","90","","90","","8233.9","0.9","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>N</i>-[4-Chloro-2-methyl-6-(N-methylcarbamoyl)phenyl]-1-(3-chloro-2- pyridyl)-3-trifluoromethyl-1<i>H</i>-pyrazole-5-carboxamide","","- C19 H14 Cl2 F3 N5 O2 -","- C19 H14 Cl2 F3 N5 O2 -","- C304 H224 Cl32 F48 N80 O32 -","16","1","HB2777","Yang, Huibin; Yu, Haibo; Li, Bin","<i>N</i>-[4-Chloro-2-methyl-6-(<i>N</i>-methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridyl)-3-trifluoromethyl-1<i>H</i>-pyrazole-5-carboxamide","Acta Crystallographica Section E","2008","64","12","o2378","","10.1107/S1600536808037604","","","0.71073","MoKα","","0.0383","0.034","","","0.079","0.0822","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220177","28.2418","0.0005","36.2033","0.0006","10.3673","0.0002","90","","90","","90","","10600","0.3","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","[μ-2,2,4,4,6,6-Hexakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^- 1,3,5,2,4,6-triazatriphosphinine]bis[bis(nitrato- κ^2^<i>O</i>,<i>O</i>')cadmium(II)]","","- C30 H42 Cd2 N19 O12 P3 -","- C30 H42 Cd2 N19 O12 P3 -","- C240 H336 Cd16 N152 O96 P24 -","8","0.5","HB2796","Yun, Sung Yol; Lee, Soon W.","[μ-2,2,4,4,6,6-Hexakis(3,5-dimethylpyrazol-1-yl)-2λ^5^,4λ^5^,6λ^5^-1,3,5,2,4,6-triazatriphosphinine]bis[bis(nitrato- κ^2^<i>O</i>,<i>O</i>')cadmium(II)]","Acta Crystallographica Section E","2008","64","12","m1513","","10.1107/S160053680803585X","","","0.71073","MoKα","","0.058","0.0436","","","0.1024","0.1122","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220280","20.597","0.002","13.057","0.001","20.541","0.002","90","","90","","90","","5524.2","0.9","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(5-bromopyridine-2-carboxylato-κO)triphenylantimony(V)","","- C30 H21 Br2 N2 O4 Sb -","- C30 H21 Br2 N2 O4 Sb -","- C240 H168 Br16 N16 O32 Sb8 -","8","0.5","LX2073","Quan, Li; Yin, Handong; Wang, Daqi","Bis(5-bromopyridine-2-carboxylato-κ<i>O</i>)triphenylantimony(V)","Acta Crystallographica Section E","2008","64","12","m1503","","10.1107/S1600536808033783","","","0.71073","MoKα","","0.0921","0.0601","","","0.1413","0.1655","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220723","15.4354","0.0012","31.783","0.002","9.6188","0.0008","90","","90","","90","","4718.8","0.6","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","","<i>N</i>,<i>N</i>'-Bis(3-phenylallylidene)biphenyl-2,2'-diamine","","- C30 H24 N2 -","- C30 H24 N2 -","- C240 H192 N16 -","8","0.5","BT2848","Dehghanpour, Saeed; Afshariazar, Farzaneh; Gao, Shan; Ng, Seik Weng","<i>N</i>,<i>N</i>'-Bis(3-phenylallylidene)biphenyl-2,2'-diamine","Acta Crystallographica Section E","2009","65","2","o307","","10.1107/S1600536809000804","","","0.71073","MoKα","","0.0573","0.0343","","","0.0849","0.1096","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220846","19.7329","0.0008","39.1479","0.0018","4.3493","0.0002","90","","90","","90","","3359.8","0.3","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","2-(3-Chlorophenyl)-4,5-dihydro-1<i>H</i>-imidazole","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","IS2379","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","2-(3-Chlorophenyl)-4,5-dihydro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2009","65","2","o338","o339","10.1107/S1600536809001214","","","0.71073","MoKα","","0.0302","0.0272","","","0.0707","0.0723","","","","","","1.098","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220926","12.8673","0.0001","42.233","0.0006","9.1819","0.0001","90","","90","","90","","4989.67","0.1","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","7-Nitro-1,2,3,4-tetrahydronaphthalene-1-spiro-2'-(1,3-dithiane)","","- C13 H15 N O2 S2 -","- C13 H15 N O2 S2 -","- C208 H240 N16 O32 S32 -","16","1","TK2351","Fun, Hoong-Kun; Kia, Reza; Maity, Annada C.; Goswami, Shyamaprosad","7-Nitro-1,2,3,4-tetrahydronaphthalene-1-spiro-2'-(1,3-dithiane)","Acta Crystallographica Section E","2009","65","2","o347","","10.1107/S1600536809001536","","","0.71073","MoKα","","0.051","0.042","","","0.074","0.077","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221425","15.8498","0.0004","31.1643","0.0008","8.6618","0.0002","90","","90","","90","","4278.48","0.18","293","2","293","1","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[hemi(ethylenediammonium) [di-μ-oxalato-indium(III)] dihydrate]","","- C5 H9 In N O10 -","- C5 H9 In N O10 -","- C80 H144 In16 N16 O160 -","16","1","LH2779","Sun, Qiaozhen; Liu, Yang; Li, Hongwu; Luo, Zhi","Poly[hemi(ethylenediammonium) [di-μ-oxalato-indium(III)] dihydrate]","Acta Crystallographica Section E","2009","65","4","m394","m395","10.1107/S1600536809008381","","","0.71073","MoKα","","0.018","0.018","","","0.0455","0.0455","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221490","20.0624","0.0004","32.5018","0.0006","8.0268","0.0002","90","","90","","90","","5233.99","0.19","80","2","80","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Poly[bis(methanol-κ<i>O</i>)tris(μ-pyrimidine- κ^2^<i>N</i>:<i>N</i>')tetrakis(thiocyanato-κ<i>N</i>)dinickel(II)]","","- C18 H20 N10 Ni2 O2 S4 -","- C18 H20 N10 Ni2 O2 S4 -","- C144 H160 N80 Ni16 O16 S32 -","8","0.5","SI2156","Wriedt, Mario; Sellmer, Sina; Jess, Inke; Näther, Christian","Poly[bis(methanol-κ<i>O</i>)tris(μ-pyrimidine-κ^2^<i>N</i>:<i>N</i>')tetrakis(thiocyanato-κ<i>N</i>)dinickel(II)]","Acta Crystallographica Section E","2009","65","4","m361","m362","10.1107/S1600536809005674","","","0.71073","MoKα","","0.0208","0.0199","","","0.0479","0.0482","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221858","15.619","0.003","40.2","0.008","6.0576","0.0012","90","","90","","90","","3803.5","1.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Aquabis(methacrylato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)","","- C18 H22 Cu N2 O5 -","- C18 H22 Cu N2 O5 -","- C144 H176 Cu8 N16 O40 -","8","0.5","XU2491","Wu, Bin; Yao, Haizhen","Aquabis(methacrylato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2009","65","5","m494","","10.1107/S1600536809012422","","","0.71069","MoKα","","0.0218","0.0207","","","0.0546","0.0551","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221864","17.485","0.004","11.854","0.002","14.921","0.002","90","","90","","90","","3092.6","1","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4,4,5,5-Tetramethyl-2-(4-pyridinio)-2-imidazoline-1-oxyl-3-oxide perchlorate","","- C12 H17 Cl N3 O6 -","- C12 H17 Cl N3 O6 -","- C96 H136 Cl8 N24 O48 -","8","0.5","XU2504","Gao, Zhi-Yong; Chang, Jiu-Li; Xian, Dong; Jiang, Kai","4,4,5,5-Tetramethyl-2-(4-pyridinio)-2-imidazoline-1-oxyl-3-oxide perchlorate","Acta Crystallographica Section E","2009","65","5","o1062","","10.1107/S1600536809013531","","","0.71073","MoKα","","0.0338","0.0331","","","0.1014","0.1023","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222565","13.3977","0.0002","19.3492","0.0004","6.3089","0.0001","90","","90","","90","","1635.49","0.05","100","1","100","1","","","","","","","","3","F d d 2","F 2 -2d","43","","2,7-Dimethyl-1,8-naphthyridine","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","0.5","BQ2147","Fun, Hoong-Kun; Yeap, Chin Sing; Das, Nirmal Kumar; Mahapatra, Ajit Kumar; Goswami, Shyamaprosad","2,7-Dimethyl-1,8-naphthyridine","Acta Crystallographica Section E","2009","65","8","o1747","","10.1107/S1600536809024350","","","0.71073","MoKα","","0.0351","0.0338","","","0.0964","0.0984","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222955","32.441","0.004","34.138","0.004","10.1972","0.0012","90","","90","","90","","11293","2","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[(μ~2~-benzene-1,4-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-di-4- pyridyldiazene-κ^2^<i>N</i>^1^:<i>N</i>^1'^)cobalt(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate hemihydrate]","","- C24 H27 Co N6 O6.5 -","- C24 H27 Co N6 O6.5 -","- C384 H432 Co16 N96 O104 -","16","1","AT2838","Chu, Chao-Xia; Zhang, Ying; Zhou, Hu; Yuan, Ai-Hua","Poly[[(μ~2~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-di-4-pyridyldiazene-κ^2^<i>N</i>^1^:<i>N</i>^1'^)cobalt(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate hemihydrate]","Acta Crystallographica Section E","2009","65","9","m1035","m1036","10.1107/S1600536809030189","","","0.71073","MoKα","","0.0738","0.0566","","","0.1297","0.1339","","","","","","1.066","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2223401","14.3507","0.0006","48.732","0.002","7.2115","0.0003","90","","90","","90","","5043.3","0.4","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>N</i>'-[(<i>E</i>)-(4-Bromo-2-thienyl)methylene]isonicotinohydrazide","","- C11 H8 Br N3 O S -","- C11 H8 Br N3 O S -","- C176 H128 Br16 N48 O16 S16 -","16","1","HB5101","Shafiq, Zahid; Yaqub, Muhammad; Tahir, M. Nawaz; Hussain, Abid; Iqbal, M. Saeed","<i>N</i>'-[(<i>E</i>)-(4-Bromo-2-thienyl)methylene]isonicotinohydrazide","Acta Crystallographica Section E","2009","65","10","o2496","","10.1107/S160053680903709X","","","0.71073","MoKα","","0.0745","0.0435","","","0.1006","0.1129","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223464","14.452","0.005","33.39","0.007","7.4354","0.0015","90","","90","","90","","3588","1.6","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)propanamide","","- C8 H13 N3 O -","- C8 H13 N3 O -","- C128 H208 N48 O16 -","16","1","LH2847","Zhang, Jian-Feng; Huang, Feng; Chen, Shu-Jiao","3-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)propanamide","Acta Crystallographica Section E","2009","65","10","o2442","","10.1107/S160053680903342X","","","0.71073","MoKα","","0.0455","0.033","","","0.0807","0.0932","","","","","","1.136","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223583","39.6505","0.0015","10.4393","0.0005","17.6248","0.0008","90","","90","","90","","7295.3","0.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichlorido(η^4^-cycloocta-1,5-diene)bis(triphenylphosphine)osmium(II)","","- C44 H42 Cl2 Os P2 -","- C44 H42 Cl2 Os P2 -","- C352 H336 Cl16 Os8 P16 -","8","0.5","WM2258","Ye, Chen; Wen, Ting Bin","Dichlorido(η^4^-cycloocta-1,5-diene)bis(triphenylphosphine)osmium(II)","Acta Crystallographica Section E","2009","65","10","m1242","","10.1107/S1600536809037817","","","0.71073","MoKα","","0.0268","0.0222","","","0.0428","0.0435","","","","","","0.995","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223611","32.648","0.014","11.459","0.004","12.516","0.005","90","","90","","90","","4682","3","294","2","294","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>N</i>,<i>N</i>'-Di-8-quinolyl-2,2'-(<i>o</i>-phenylenedioxy)diacetamide","","- C28 H22 N4 O4 -","- C28 H22 N4 O4 -","- C224 H176 N32 O32 -","8","0.5","BQ2164","Wang, Jing-Lin","<i>N</i>,<i>N</i>'-Di-8-quinolyl-2,2'-(<i>o</i>-phenylenedioxy)diacetamide","Acta Crystallographica Section E","2009","65","11","o2844","","10.1107/S1600536809041312","","","0.71073","MoKα","","0.0729","0.0366","","","0.0722","0.0834","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223741","36.033","0.006","37.681","0.006","7.0402","0.0012","90","","90","","90","","9559","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Aquabis(benzoato-κ<i>O</i>)(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C26 H24 Cu N2 O5 -","- C26 H24 Cu N2 O5 -","- C416 H384 Cu16 N32 O80 -","16","1","FJ2245","Dong, Xi-Yan; Xu, Xiaojie; Yang, Lei","Aquabis(benzoato-κ<i>O</i>)(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2009","65","11","m1290","","10.1107/S1600536809039191","","","0.71073","MoKα","","0.0729","0.0443","","","0.0733","0.0787","","","","","","0.861","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223997","13.0168","0.0013","20.298","0.002","21.849","0.003","90","","90","","90","","5772.8","1.1","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(2-amino-4-chlorobenzoato)triphenylantimony(V)","","- C32 H25 Cl2 N2 O4 Sb -","- C32 H25 Cl2 N2 O4 Sb -","- C256 H200 Cl16 N16 O32 Sb8 -","8","0.5","RZ2373","Wen, Liyuan; Yin, Handong; Wang, Chuanhua","Bis(2-amino-4-chlorobenzoato)triphenylantimony(V)","Acta Crystallographica Section E","2009","65","11","m1442","","10.1107/S160053680904358X","","","0.71073","MoKα","","0.0281","0.0211","","","0.0463","0.0505","","","","","","1.114","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224305","8.2261","0.0002","42.6761","0.0011","12.6108","0.0003","90","","90","","90","","4427.12","0.19","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dichloridobis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)","","- C24 H12 Cl2 Hg N4 O4 -","- C24 H12 Cl2 Hg N4 O4 -","- C192 H96 Cl16 Hg8 N32 O32 -","8","0.5","HY2254","Figueiras, Carlos A. L.; Bomfim, João A. S.; Howie, R. Alan; Tiekink, Edward R. T.; Wardell, James L.","Dichloridobis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')mercury(II)","Acta Crystallographica Section E","2009","65","12","m1645","","10.1107/S1600536809049289","","","0.71073","MoKα","","0.043","0.037","","","0.091","0.094","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224954","34.939","0.003","85.482","0.004","3.9672","0.0002","90","","90","","90","","11848.7","1.3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","9-Bromo-9-borafluorene","","- C12 H8 B Br -","- C12 H8 B Br -","- C576 H384 B48 Br48 -","48","3","FK2010","Hübner, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","9-Bromo-9-borafluorene","Acta Crystallographica Section E","2010","66","2","o444","","10.1107/S1600536810001625","","","0.71073","MoKα","","0.0821","0.051","","","0.0908","0.1","","","","","","0.863","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225047","14.874","0.003","33.592","0.007","10.72","0.002","90","","90","","90","","5356.2","1.8","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","2,7-Dibromo-9,9-bis[(pyridin-1-ium-4-yl)methyl]fluorene dinitrate","","- C25 H20 Br2 N4 O6 -","- C25 H20 Br2 N4 O6 -","- C200 H160 Br16 N32 O48 -","8","0.5","LH2955","Jian, Fang-Fang; Zhao, Shan-Shan; Guo, Huan-Mei; Li, Yu-Feng; Zhao, Pu-Su","2,7-Dibromo-9,9-bis[(pyridin-1-ium-4-yl)methyl]fluorene dinitrate","Acta Crystallographica Section E","2010","66","2","o251","","10.1107/S1600536809054828","","","0.71073","MoKα","","0.1256","0.0414","","","0.0868","0.1143","","","","","","0.911","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225273","25.292","0.002","34.412","0.003","4.7176","0.0005","90","","90","","90","","4106","0.7","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","6,6'-Diethoxy-2,2'-[propane-1,3-diyldioxybis(nitrilomethylidyne)]diphenol","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C168 H208 N16 O48 -","8","0.5","HG2634","Wang, Li; Sun, Yin-Xia; Tong, Jun-Feng","6,6'-Diethoxy-2,2'-[propane-1,3-diyldioxybis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2010","66","3","o512","","10.1107/S1600536810003430","","","0.71073","MoKα","","0.0499","0.0365","","","0.0839","0.0897","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225614","3.9919","0.0006","60.385","0.008","16.231","0.002","90","","90","","90","","3912.5","0.9","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","(Naphthalene-1,4-diyl)dimethyl dibenzoate","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","0.5","OM2316","Xia, Liang-You","(Naphthalene-1,4-diyl)dimethyl dibenzoate","Acta Crystallographica Section E","2010","66","4","o860","","10.1107/S1600536810008391","","","0.71073","MoKα","","0.0377","0.0326","","","0.0772","0.0805","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2225912","16.3384","0.0015","19.0958","0.0018","7.7916","0.0007","90","","90","","90","","2430.9","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,1'-Methylenedipyridinium dichloride monohydrate","","- C11 H14 Cl2 N2 O -","- C11 H14 Cl2 N2 O -","- C88 H112 Cl16 N16 O8 -","8","0.5","JH2148","Fu, Wen-Zhen; Wang, Wei-Juan; Niu, Yun-Yin; Ng, Seik Weng","1,1'-Methylenedipyridinium dichloride monohydrate","Acta Crystallographica Section E","2010","66","5","o1211","","10.1107/S1600536810015096","","","0.71073","MoKα","","0.0237","0.0222","","","0.0552","0.0563","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226516","20.4069","0.0008","33.0633","0.0015","8.375","0.0003","90","","90","","90","","5650.8","0.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Poly[tetrakis(selenocyanato-κ<i>N</i>)bis(methanol-κ<i>O</i>)tris(μ- pyrimidine-κ^2^<i>N</i>:<i>N</i>')dicobalt(II)]","","- C9 H10 Co N5 O Se2 -","- C9 H10 Co N5 O Se2 -","- C144 H160 Co16 N80 O16 Se32 -","16","1","HY2313","Wriedt, Mario; Jess, Inke; Näther, Christian","Poly[tetrakis(selenocyanato-κ<i>N</i>)bis(methanol-κ<i>O</i>)tris(μ-pyrimidine-κ^2^<i>N</i>:<i>N</i>')dicobalt(II)]","Acta Crystallographica Section E","2010","66","7","m742","","10.1107/S160053681002060X","","","0.71073","MoKα","","0.0449","0.038","","","0.0677","0.0694","","","","","","1.158","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227120","16.1215","0.0014","37.126","0.003","7.1317","0.0008","90","","90","","90","","4268.5","0.7","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-Nitro-5-(4-pyridinio)benzoate","","- C12 H8 N2 O4 -","- C12 H8 N2 O4 -","- C192 H128 N32 O64 -","16","1","WN2400","Zhao, Xiao-Jun; Hao, Cheng-Jun","3-Nitro-5-(4-pyridinio)benzoate","Acta Crystallographica Section E","2010","66","8","o2106","","10.1107/S160053681002800X","","","0.71073","MoKα","","0.0903","0.0483","","","0.1036","0.1178","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227211","19.981","0.0011","37.3673","0.0019","10.7181","0.0006","90","","90","","90","","8002.5","0.7","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Ethyl 2-isopropylamino-6-methyl-8-oxo-3-phenyl-3<i>H</i>,8<i>H</i>- furo[2,3-<i>d</i>][1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-7-carboxylate","","- C20 H21 N5 O4 -","- C20 H21 N5 O4 -","- C320 H336 N80 O64 -","16","1","BT5323","Li, Qing; Wang, Xian-Yu; Qin, Cheng-Ming; Wang, Yan-Lin","Ethyl 2-isopropylamino-6-methyl-8-oxo-3-phenyl-3<i>H</i>,8<i>H</i>-furo[2,3-<i>d</i>][1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-7-carboxylate","Acta Crystallographica Section E","2010","66","9","o2384","","10.1107/S1600536810032654","","","0.71073","MoKα","","0.0523","0.0434","","","0.1054","0.1093","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227271","19.328","0.003","41.612","0.005","5.6288","0.0007","90","","90","","90","","4527.1","1.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(<i>Z</i>)-3-Hydrazinylidene-1-phenylindolin-2-one","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C224 H176 N48 O16 -","16","1","BT5393","Abdel-Aziz, Hatem A.; Bari, Ahmed; Aboul-Fadl, T.; Ng, Seik Weng","(<i>Z</i>)-3-Hydrazinylidene-1-phenylindolin-2-one","Acta Crystallographica Section E","2010","66","11","o3014","","10.1107/S1600536810043916","","","0.71073","MoKα","","0.0567","0.04","","","0.0853","0.0921","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227390","13.5452","0.0012","27.952","0.003","14.1107","0.0013","90","","90","","90","","5342.5","0.9","292","2","292","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4-Azidomethyl-7-methyl-2-oxo-2<i>H</i>-chromene-6-sulfonyl azide","","- C11 H8 N6 O4 S -","- C11 H8 N6 O4 S -","- C176 H128 N96 O64 S16 -","16","1","DN2607","Basanagouda, Mahantesha; Nayak, Susanta K.; Guru Row, T. N.; Kulkarni, Manohar V.","4-Azidomethyl-7-methyl-2-oxo-2<i>H</i>-chromene-6-sulfonyl azide","Acta Crystallographica Section E","2010","66","11","o2780","","10.1107/S1600536810039693","","","0.71073","MoKα","","0.0513","0.0411","","","0.0958","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227494","23.899","0.004","48.298","0.008","3.7314","0.0007","90","","90","","90","","4307.1","1.3","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Amino-5-chloropyridinium (<i>Z</i>)-3-carboxyprop-2-enoate 0.25-hydrate","","- C9 H9.5 Cl N2 O4.25 -","- C9 H9.5 Cl N2 O4.25 -","- C144 H152 Cl16 N32 O68 -","16","1","HB5596","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-chloropyridinium (<i>Z</i>)-3-carboxyprop-2-enoate 0.25-hydrate","Acta Crystallographica Section E","2010","66","9","o2457","o2458","10.1107/S1600536810033507","","","0.71073","MoKα","","0.061","0.0478","","","0.1025","0.109","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228084","13.0606","0.0003","60.5887","0.001","6.5618","0.0001","90","","90","","90","","5192.51","0.17","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","4-Methoxybenzaldehyde (5-bromopyrimidin-2-yl)hydrazone monohydrate","","- C12 H13 Br N4 O2 -","- C12 H13 Br N4 O2 -","- C192 H208 Br16 N64 O32 -","16","1","WN2404","Fun, Hoong-Kun; Loh, Wan-Sin; Nayak, Suresh P.","4-Methoxybenzaldehyde (5-bromopyrimidin-2-yl)hydrazone monohydrate","Acta Crystallographica Section E","2010","66","9","o2467","","10.1107/S1600536810033283","","","0.71073","MoKα","","0.0314","0.0258","","","0.0507","0.0521","","","","","","0.921","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228111","8.3107","0.0006","29.5862","0.0017","12.3791","0.0007","90","","90","","90","","3043.8","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquamanganese(II) monohydrate","","- C10 H14 Mn N6 O7 -","- C10 H14 Mn N6 O7 -","- C80 H112 Mn8 N48 O56 -","8","0.5","XU5022","Gao, Shan; Ng, Seik Weng","Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquamanganese(II) monohydrate","Acta Crystallographica Section E","2010","66","10","m1223","","10.1107/S1600536810035233","","","0.71073","MoKα","","0.0946","0.0472","","","0.1088","0.1652","","","","","","1.143","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228118","11.522","0.0013","35.522","0.004","9.327","0.001","90","","90","","90","","3817.4","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[2,6-Bis(<i>p</i>-tolyliminomethyl)pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dichloridocopper(II)","","- C21 H19 Cl2 Cu N3 -","- C21 H19 Cl2 Cu N3 -","- C168 H152 Cl16 Cu8 N24 -","8","0.5","XU5030","Li, Xiao-Ping; Zhao, Jian-She; Ng, Seik Weng","[2,6-Bis(<i>p</i>-tolyliminomethyl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dichloridocopper(II)","Acta Crystallographica Section E","2010","66","10","m1297","","10.1107/S1600536810037025","","","0.71073","MoKα","","0.034","0.0304","","","0.068","0.0698","","","","","","1.043","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228130","15.5362","0.0016","37.371","0.003","7.1716","0.0009","90","","90","","90","","4163.9","0.8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","5-(Pyridin-4-yl)isophthalic acid","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C208 H144 N16 O64 -","16","1","XU5043","Zhang, Yong-Fang; Zhang, Qing-Fu; Jin, Juan; Sun, De-Zhi; Wang, Da-Qi","5-(Pyridin-4-yl)isophthalic acid","Acta Crystallographica Section E","2010","66","11","o2928","","10.1107/S1600536810039474","","","0.71073","MoKα","","0.0478","0.039","","","0.0993","0.1069","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228788","17.882","0.005","53.15","0.014","10.233","0.003","90","","90","","90","","9726","5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Dibenzyl sulfoxide","","- C14 H14 O S -","- C14 H14 O S -","- C448 H448 O32 S32 -","32","2","JH2245","Zeng, Yun-Xiu; Xu, Zhi-Guang; Zhan, Qing-Guang; Liu, Hai-Yang","Dibenzyl sulfoxide","Acta Crystallographica Section E","2011","67","1","o177","","10.1107/S1600536810052165","","","0.71073","MoKα","","0.1125","0.0569","","","0.1473","0.1825","","","","","","0.972","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228890","19.7306","0.0011","28.7632","0.0019","7.1906","0.0004","90","","90","","90","","4080.8","0.4","120","","120","","","","","","","","","4","F d d 2","F 2 -2d","43","","Naphthalene-2,6-dicarboxylic acid‒1-methylpyrrolidin-2-one (1/2)","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","0.5","SU2234","Wu, Bianhua; Peng, Ge; Cheng, Youwei; Li, Xi; Liu, Jiyong","Naphthalene-2,6-dicarboxylic acid‒1-methylpyrrolidin-2-one (1/2)","Acta Crystallographica Section E","2011","67","1","o208","","10.1107/S1600536810052396","","","0.71073","MoKα","","0.0519","0.0368","","","0.0782","0.0865","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229189","40.0268","0.0019","23.1726","0.001","5.3463","0.0002","90","","90","","90","","4958.8","0.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>N</i>-Cyclohexylcyclohexanaminium chloride","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C192 H384 Cl16 N16 -","16","1","PV2369","Pourayoubi, Mehrdad; Negari, Monireh; Nečas, Marek","<i>N</i>-Cyclohexylcyclohexanaminium chloride","Acta Crystallographica Section E","2011","67","2","o332","","10.1107/S1600536811000857","","","0.71073","MoKα","","0.0293","0.0252","","","0.0569","0.0574","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229216","11.934","0.0011","32.774","0.004","10.986","0.0011","90","","90","","90","","4296.9","0.8","290","2","290","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate","","- Ca H20 Na2 Ni2 O24 P4 -","- Ca H20 Na2 Ni2 O24 P4 -","- Ca8 H160 Na16 Ni16 O192 P32 -","8","0.5","SI2322","Cui, Yun-Cheng; Zhao, Yan-Hui","Disodium calcium dinickel(II) bis[diphosphate(V)] decahydrate","Acta Crystallographica Section E","2011","67","2","i13","i14","10.1107/S160053681100016X","","","0.71073","MoKα","","0.0231","0.0214","","","0.0488","0.0493","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2229933","23.154","0.0003","43.8905","0.0006","5.6239","0.0001","90","","90","","90","","5715.24","0.15","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C17 H15 Cl N2 O -","- C17 H15 Cl N2 O -","- C272 H240 Cl16 N32 O16 -","16","1","BT5516","Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Abdel-Ghany, Hossam; Ng, Seik Weng","4-(4-Chlorobenzyl)-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2011","67","5","o1153","","10.1107/S1600536811013791","","","1.54184","CuKα","","0.0363","0.0362","","","0.0969","0.0972","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230482","15.5702","0.0013","37.377","0.003","7.2016","0.0009","90","","90","","90","","4191.1","0.7","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-Carboxy-5-(pyridinium-4-yl)benzoate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C208 H144 N16 O64 -","16","1","SJ5133","Li, Shi-Jie; Miao, Dong-Liang; Song, Wen-Dong; Tong, Shao-Wei","3-Carboxy-5-(pyridinium-4-yl)benzoate: a redetermination","Acta Crystallographica Section E","2011","67","6","o1353","","10.1107/S1600536811016394","","","0.71073","MoKα","","0.0562","0.0497","","","0.1367","0.1416","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230520","24.683","0.005","27.885","0.006","8.734","0.0017","90","","90","","90","","6011","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Diaqua[5,5'-dicarboxy-2,2'-(ethane-1,2-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]cobalt(II)","","- C12 H12 Co N4 O10 -","- C12 H12 Co N4 O10 -","- C192 H192 Co16 N64 O160 -","16","1","WM2487","Wang, Ying; Gao, Xin-Lian","Diaqua[5,5'-dicarboxy-2,2'-(ethane-1,2-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]cobalt(II)","Acta Crystallographica Section E","2011","67","6","m815","","10.1107/S1600536811019672","","","0.71073","MoKα","","0.0587","0.0466","","","0.0737","0.0794","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230672","27.2766","0.0011","34.1005","0.0009","9.4431","0.0002","90","","90","","90","","8783.5","0.5","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro- 1<i>H</i>-1,3-oxazolo[3,4-<i>a</i>]pyridin-3-yl}phenol","","- C24 H20 F6 N2 O2 -","- C24 H20 F6 N2 O2 -","- C384 H320 F96 N32 O32 -","16","1","HB5905","Gonçalves, Raoni S. B.; Kaiser, Carlos R.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1<i>H</i>-1,3-oxazolo[3,4-<i>a</i>]pyridin-3-yl}phenol","Acta Crystallographica Section E","2011","67","7","o1656","o1657","10.1107/S1600536811022379","","","0.71073","MoKα","","0.038","0.035","","","0.079","0.082","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230806","12.343","0.002","52.066","0.006","6.942","0.001","90","","90","","90","","4461.3","1.1","293","2","293","2","","","","","","","","8","F d d 2","F 2 -2d","43","","Potassium <i>N</i>-bromo-2-chlorobenzenesulfonamidate sesquihydrate","","- C6 H7 Br Cl K N O3.5 S -","- C6 H7 Br Cl K N O3.5 S -","- C96 H112 Br16 Cl16 K16 N16 O56 S16 -","16","1","NC2232","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-bromo-2-chlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2011","67","7","m926","","10.1107/S1600536811022136","","","0.71073","MoKα","","0.0272","0.026","","","0.0668","0.0673","","","","","","1.057","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231037","12.271","0.002","55.017","0.006","6.904","0.001","90","","90","","90","","4661","1.1","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Potassium <i>N</i>-bromo-2-methylbenzenesulfonamidate sesquihydrate","","- C7 H10 Br K N O3.5 S -","- C7 H10 Br K N O3.5 S -","- C112 H160 Br16 K16 N16 O56 S16 -","16","1","CI5191","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-bromo-2-methylbenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2011","67","8","m1015","","10.1107/S1600536811025153","","","0.71073","MoKα","","0.0549","0.0482","","","0.1074","0.1121","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231268","17.4294","0.0002","48.2746","0.0006","6.7947","0.0001","90","","90","","90","","5717.04","0.13","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>exo</i>-8-[(1<i>H</i>-Benzimidazol-2-yl)methyl]-10-oxa-8- azatricyclo[4.3.0.1^2,5^]decane-7,9-dione","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C256 H240 N48 O48 -","16","1","QK2008","Li, Shi-Kun; Zhang, Fan; Lv, Tian-Xi; Lin, Qiu-Yue","<i>exo</i>-4-[(1<i>H</i>-Benzimidazol-2-yl)methyl]-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","Acta Crystallographica Section E","2011","67","8","o1974","","10.1107/S1600536811026602","","","0.71073","MoKα","","","0.0354","","","0.0802","0.0869","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231598","26.5036","0.0008","28.9987","0.0014","6.2193","0.0001","90","","90","","90","","4780","0.3","200","2","200","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(<i>E</i>)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C192 H208 N80 O32 -","16","1","LH5299","Booysen, Irvin; Hlela, Thulani; Ismail, Muhammed; Gerber, Thomas; Hosten, Eric; Betz, Richard","(<i>E</i>)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2011","67","9","o2289","","10.1107/S1600536811031618","","","0.71073","MoKα","","0.0625","0.0386","","","0.0739","0.0791","","","","","","0.938","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231741","18.0113","0.0004","35.5302","0.0011","8.29","0.0002","90","","90","","90","","5305.1","0.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4-(3,7-Dimethyl-4-oxo-4,5- dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide","","- C13 H12 N4 O4 S -","- C13 H12 N4 O4 S -","- C208 H192 N64 O64 S16 -","16","1","XU5287","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Obaid, Abdullah.Y.; Ng, Seik Weng","4-(3,7-Dimethyl-4-oxo-4,5-dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2466","","10.1107/S1600536811034325","","","1.54184","CuKα","","0.0332","0.033","","","0.0961","0.0964","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231873","20.0254","0.0013","33.197","0.002","10.0233","0.0007","90","","90","","90","","6663.3","0.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-Cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C20 H19 F O2 S -","- C20 H19 F O2 S -","- C320 H304 F16 O32 S16 -","16","1","GK2398","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","5-Cyclopentyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","10","o2591","","10.1107/S1600536811036087","","","0.71073","MoKα","","0.044","0.0414","","","0.104","0.1061","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232053","31.563","0.002","44.508","0.003","3.9504","0.0003","90","","90","","90","","5549.5","0.7","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","(2<i>E</i>)-1-(pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","(2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C272 H272 N16 O64 -","16","1","RZ2642","Fun, Hoong-Kun; Chantrapromma, Suchada; Suwunwong, Thitipone","(2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","10","o2789","o2790","10.1107/S1600536811039110","","","0.71073","MoKα","","0.0578","0.0431","","","0.0959","0.1046","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232056","36.8219","0.0015","15.9526","0.0007","25.9325","0.0009","90","","90","","90","","15232.9","1.1","296","1","296","1","","","","","","","","4","F d d 2","F 2 -2d","43","","3-<i>tert</i>-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate","","- C20 H23 Cl O4 -","- C20 H23 Cl O4 -","- C640 H736 Cl32 O128 -","32","2","SI2372","Wang, Zong-cheng; Cheng, Jing-li; Zhao, Jin-hao; Yu, Feng","3-<i>tert</i>-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate","Acta Crystallographica Section E","2011","67","10","o2804","","10.1107/S1600536811034684","","","0.71073","MoKα","","0.0841","0.0348","","","0.0731","0.0947","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232928","22.3143","0.001","22.7057","0.0011","13.4523","0.0006","90","","90","","90","","6815.8","0.5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Barium manganese(II) selenostannate(IV)","","- Ba Mn Se4 Sn -","- Ba Mn Se4 Sn -","- Ba32 Mn32 Se128 Sn32 -","32","2","RU2017","Assoud, Abdeljalil; Kuropatwa, Bryan A.; Kleinke, Holger","Barium manganese(II) selenostannate(IV), BaMnSnSe~4~","Acta Crystallographica Section E","2011","67","12","i72","","10.1107/S1600536811047283","","","0.71073","MoKα","","0.0445","0.0284","","","0.0688","0.0722","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233003","17.81","0.005","47.447","0.009","7.4063","0.0015","90","","90","","90","","6259","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[(4,4'-bipyridine-κ<i>N</i>)[μ~3~-(<i>S</i>)-2-hydroxybutanedioato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^4'^]zinc] dihydrate]","","- C14 H16 N2 O7 Zn -","- C14 H16 N2 O7 Zn -","- C224 H256 N32 O112 Zn16 -","16","1","XU5364","Lu, Yu-Kun; Liu, Jian; Diao, Cheng-Lin; Lü, Ren-Qing; Liu, Yun-Qi","Poly[[(4,4'-bipyridine-κ<i>N</i>)[μ~3~-(<i>S</i>)-2-hydroxybutanedioato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^:<i>O</i>^4'^]zinc] dihydrate]","Acta Crystallographica Section E","2011","67","12","m1684","m1685","10.1107/S1600536811045788","","","0.71073","MoKα","","0.0585","0.0441","","","0.0809","0.0869","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233978","26.054","0.003","28.528","0.003","16.295","0.0015","90","","90","","90","","12112","2","113","2","113","2","","","","","","","","6","F d d 2","F 2 -2d","43","","4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate","","- C13 H20 F6 N O P -","- C13 H20 F6 N O P -","- C416 H640 F192 N32 O32 P32 -","32","2","RZ2692","Yang, Fang; Zang, Hongjun; Cheng, Bowen; Xu, Xianlin; Ren, Yuanlin","4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate","Acta Crystallographica Section E","2012","68","3","o840","","10.1107/S1600536812001006","","","0.7107","MoKα","","0.039","0.0364","","","0.076","0.0781","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234375","21.2631","0.0011","30.0347","0.0016","8.6228","0.0005","90","","90","","90","","5506.8","0.5","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido- κ^2^<i>N</i>,<i>N</i>'}nickel(II)","","- C24 H42 N4 Ni Si2 -","- C24 H42 N4 Ni Si2 -","- C192 H336 N32 Ni8 Si16 -","8","0.5","RK2340","Chen, Juan; Li, Jing","Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilinido-κ^2^<i>N</i>,<i>N</i>'}nickel(II)","Acta Crystallographica Section E","2012","68","4","m357","","10.1107/S1600536812008550","","","0.71073","MoKα","","0.0462","0.0399","","","0.1001","0.1041","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235073","66.849","0.0016","22.1076","0.0004","6.5109","0.0001","90","","90","","90","","9622.3","0.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione dichloromethane hemisolvate","","- C49 H68 Cl2 N10 S2 -","- C49 H68 Cl2 N10 S2 -","- C392 H544 Cl16 N80 S16 -","8","0.5","HG5226","El-Emam, Ali A.; Al-Omar, Mohamed A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","6","o1772","o1773","10.1107/S1600536812021393","","","1.54184","CuKα","","0.045","0.0445","","","0.1256","0.1262","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235128","11.376","0.002","53.041","0.003","10.413","0.002","90","","90","","90","","6283.1","1.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate","","- C9 H13 Cl Cr N2 O11.5 -","- C9 H13 Cl Cr N2 O11.5 -","- C144 H208 Cl16 Cr16 N32 O184 -","16","1","KP2416","Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed","2-Amino-5-chloropyridinium <i>cis</i>-diaquadioxalatochromate(III) sesquihydrate","Acta Crystallographica Section E","2012","68","6","m824","m825","10.1107/S1600536812023392","","","0.71073","MoKα","","0.0342","0.0286","","","0.0712","0.0736","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235373","26.337","0.009","28.349","0.01","4.99","0.002","90","","90","","90","","3726","2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","5,5'-Methylenebis(2-isopropoxybenzaldehyde)","2,2'-Diisopropoxy-5,5'-methylenedibenzaldehyde","","- C21 H24 O4 -","- C21 H24 O4 -","- C168 H192 O32 -","8","0.5","BT5945","Suresh, G.; Sabari, V.; Devaraj, A.; Bakthadoss, M.; Aravindhan, S.","2,2'-Diisopropoxy-5,5'-methylenedibenzaldehyde","Acta Crystallographica Section E","2012","68","7","o2199","","10.1107/S1600536812028048","","","0.71073","MoKα","","0.0476","0.0395","","","0.1061","0.1135","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235828","24.367","0.005","24.407","0.003","4.7786","0.0005","90","","90","","90","","2842","0.7","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","ortho-vanillin","2-Hydroxy-3-methoxybenzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","1","HB6851","Shin, David; Müller, Peter","2-Hydroxy-3-methoxybenzaldehyde (<i>o</i>-vanillin) revisited","Acta Crystallographica Section E","2012","68","8","o2336","o2337","10.1107/S1600536812029571","","","0.71073","MoKα","","0.0362","0.0343","","","0.0931","0.0954","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235866","13.5","0.0018","29.964","0.005","7.5565","0.0005","90","","90","","90","","3056.7","0.7","113","2","113","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-Bromophthalazine hemihydrate","","- C8 H6 Br N2 O0.5 -","- C8 H6 Br N2 O0.5 -","- C128 H96 Br16 N32 O8 -","16","1","IM2382","Cai, Mingjian","5-Bromophthalazine hemihydrate","Acta Crystallographica Section E","2012","68","8","o2421","","10.1107/S1600536812030358","","","0.71073","MoKα","","0.0298","0.0292","","","0.0739","0.0742","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235991","24.9797","0.0014","31.666","0.003","4.4495","0.0002","90","","90","","90","","3519.6","0.4","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4,4',6,6'-Tetrachloro-2,2'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(nitrilomethanylylidene)]diphenol","","- C17 H14 Cl4 N2 O2 -","- C17 H14 Cl4 N2 O2 -","- C136 H112 Cl32 N16 O16 -","8","0.5","SU2464","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,4',6,6'-Tetrachloro-2,2'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","8","o2323","","10.1107/S1600536812029443","","","0.71073","MoKα","","0.0415","0.0273","","","0.0612","0.0675","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236089","14.4779","0.0005","28.57","0.0015","8.0854","0.0003","90","","90","","90","","3344.4","0.2","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc","","- C16 H18 N2 O4 Zn -","- C16 H18 N2 O4 Zn -","- C128 H144 N16 O32 Zn8 -","8","0.5","BR2212","Harvey, Miguel A.; Suarez, Sebastian A.; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc","Acta Crystallographica Section E","2012","68","11","m1377","m1378","10.1107/S1600536812042699","","","0.71073","MoKα","","0.0281","0.0255","","","","0.068","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236683","7.1927","0.0008","37.159","0.004","17.925","0.002","90","","90","","90","","4790.9","0.9","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Lithium pentasodium nonamolybdate","","- Li Mo9 Na5 O30 -","- Li Mo9 Na5 O30 -","- Li8 Mo72 Na40 O240 -","8","0.5","VN2054","Hamza, Hamadi; Ennajeh, Ines; Zid, Mohamed Faouzi; Driss, Ahmed","LiNa~5~Mo~9~O~30~","Acta Crystallographica Section E","2012","68","11","i80","i81","10.1107/S1600536812041876","","","0.71073","MoKα","","0.035","0.0347","","","0.0954","0.0957","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237066","22.8022","0.0011","14.2637","0.0008","8.2259","0.0004","90","","90","","90","","2675.4","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Chloro-1<i>H</i>-1,2,3-benzotriazole","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C96 H64 Cl16 N48 -","16","1","XU5634","Yuan, Ming-Yong; Zhao, Xia; Zheng, Ling-Li","1-Chloro-1<i>H</i>-1,2,3-benzotriazole","Acta Crystallographica Section E","2012","68","12","o3432","","10.1107/S1600536812044820","","","0.71073","MoKα","","0.0335","0.0303","","","0.0583","0.0602","","","","","","1.059","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2238638","42.892","0.009","13.335","0.003","14.234","0.003","90","","90","","90","","8141","3","295","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-Dichloromethyl-<i>N</i>-ethyl-5-(1-phenylsilolan-1-yl)cyclopent-3-enecarboxamide","","- C19 H25 Cl2 N O Si -","- C19 H25 Cl2 N O Si -","- C304 H400 Cl32 N16 O16 Si16 -","16","1","IM2436","Xiao, Han; Yang, Wan-Qiu; Shen, Liang","2-Dichloromethyl-<i>N</i>-ethyl-5-(1-phenylsilolan-1-yl)cyclopent-3-enecarboxamide","Acta Crystallographica Section E","2013","69","10","o1530","","10.1107/S160053681302446X","","","0.71073","MoKα","","0.0766","0.0476","","","0.0953","0.106","","","","","","1.029","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238855","24.427","0.003","30.875","0.004","10.0956","0.0013","90","","90","","90","","7613.9","1.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate","","- C19.5 H22 Al Cl N2 O3 -","- C19.5 H22 Al Cl N2 O3 -","- C312 H352 Al16 Cl16 N32 O48 -","16","1","FK2075","Zaitsev, Kirill V.; Kuchuk, Ekaterina A.; Karlov, Sergey S.; Zaitseva, Galina S.; Churakov, Andrei V.","{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate","Acta Crystallographica Section E","2013","69","12","m631","m632","10.1107/S1600536813029644","","","0.71073","MoKα","","0.0397","0.0337","","","0.078","0.0812","","","","","","1.043","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239083","38.307","0.018","46.05","0.02","3.7832","0.0018","90","","90","","90","","6674","5","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate","","- C16 H18 N6 O5 -","- C16 H18 N6 O5 -","- C256 H288 N96 O80 -","16","1","","Koteswara Rao, Vandavasi; Siddiqui, Tausif; Zeller, Matthias; Lovelace-Cameron, Sherri R.","Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","2","o166","o167","10.1107/S1600536813034971","","","0.71073","MoKα","","0.13","0.0877","","","0.2102","0.2328","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239100","29.6079","0.001","30.5302","0.001","8.5175","0.0003","90","","90","","90","","7699.3","0.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(hydroxyammonium) hexachloridoplatinate(IV)‒18-crown-6 (1/2)","","- C24 H56 Cl6 N2 O14 Pt -","- C24 H56 Cl6 N2 O14 Pt -","- C192 H448 Cl48 N16 O112 Pt8 -","8","0.5","PK2505","Bulatov, Evgeny; Afanasenko, Anastasiya; Chulkova, Tatiana; Haukka, Matti","Bis(hydroxyammonium) hexachloridoplatinate(IV)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2014","70","1","m7","m8","10.1107/S1600536813032649","","","0.71073","MoKα","","0.0464","0.0327","","","0.0504","0.0539","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239247","9.447","0.0007","17.585","0.0009","22.8714","0.0012","90","","90","","90","","3799.5","0.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate","","- C17.47 H19.87 N4 O5.47 -","- C17.468 H19.872 N4 O5.468 -","- C139.744 H158.976 N32 O43.744 -","8","0.5","GK2603","Sow, Mouhamadou Moustapha; Diouf, Ousmane; Seck, Matar; Barry, Aliou Hamady; Gaye, Mohamed","1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate","Acta Crystallographica Section E","2014","70","4","o423","","10.1107/S1600536814004802","","","0.71073","MoKα","","0.0806","0.0436","","","0.0893","0.1105","","","","","","1.247","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239488","20.853","0.007","14.099","0.005","14.364","0.005","90","","90","","90","","4223","3","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Poly[(μ~3~-3,5-diisopropyl-4<i>H</i>-1,2,4-triazolato-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'')silver(I)]","","- C8 H14 Ag N3 -","- C8 H14 Ag N3 -","- C128 H224 Ag16 N48 -","16","1","XU5742","Cui, Guo-Gen; Yang, Xiao-Xi; Yang, Jian-Ping; Jiang, Xiang","Poly[(μ~3~-3,5-diisopropyl-4<i>H</i>-1,2,4-triazolato-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'')silver(I)]","Acta Crystallographica Section E","2014","70","5","m189","","10.1107/S1600536814008083","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0448","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239575","13.558","0.004","49.646","0.014","8.058","0.002","90","","90","","90","","5424","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)","","- C24 H38 Cl4 N2 Sn -","- C24 H38 Cl4 N2 Sn -","- C192 H304 Cl32 N16 Sn8 -","8","0.5","WM5023","Sarr, Modou; Merkens, Carina; Diassé-Sarr, Aminata; Diop, Libasse; Englert, Ulli","Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)","Acta Crystallographica Section E","2014","70","6","m220","m221","10.1107/S160053681401109X","","","0.71073","MoKα","","0.0469","0.0433","","","0.0979","0.0996","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240117","13.743","0.003","38.302","0.007","6.2686","0.0011","90","","90","","90","","3299.7","1.1","297","2","297","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(Ammoniomethyl)benzoate","","- C8 H11 N O3 -","- C8 H9 N O3 -","- C128 H144 N16 O48 -","16","1","SJ5430","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure","Acta Crystallographica Section E","2014","70","11","385","388","10.1107/S1600536814022831","","","0.71073","MoKα","","0.0541","0.0464","","","0.1291","0.1371","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240125","38.821","0.005","20.9","0.005","7.172","0.005","90","","90","","90","","5819","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>N</i>,<i>N</i>-Diethylbenzene-1,4-diaminium dinitrate","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C160 H288 N64 O96 -","16","1","SU5003","Bouaoud, Yasmina; Smith, Graham; Merazig, Hocine; Setifi, Zouaoui","Crystal structure of <i>N</i>,<i>N</i>-diethylbenzene-1,4-diaminium dinitrate","Acta Crystallographica Section E","2014","70","11","o1191","o1192","10.1107/S1600536814022946","","","0.71073","MoKα","","0.0584","0.043","","","0.1016","0.1106","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240569","20.693","0.002","21.7954","0.0018","9.4649","0.0009","90","","90","","90","","4268.8","0.7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane‒4-bromophenol (2/1)","","- C20 H26 Br2 N4 O2 -","- C20 H26 Br2 N4 O2 -","- C160 H208 Br16 N32 O16 -","8","0.5","SJ5449","Rivera, Augusto; Uribe, Juan Manuel; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD)‒4-bromophenol (1/2)","Acta Crystallographica Section E","2015","71","5","463","465","10.1107/S2056989015006684","","","0.71073","MoKα","","0.0374","0.0319","","","0.0668","0.0685","","","","","","1.005","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240864","19.284","0.003","56.44","0.008","11.1695","0.0015","90","","90","","90","","12157","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","03251a","Bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane","","- C14 H16 N2 S3 -","- C14 H16 N2 S3 -","- C448 H512 N64 S96 -","32","2","","Barany, George; Henley, Matthew J.; Polski, Lauren A.; Schroll, Alayne L.; Young, Jr, Victor G.","Crystal structure of bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane","Acta Crystallographica Section E","2015","71","7","836","839","10.1107/S2056989015011342","","","0.71073","MoKα","","0.1192","0.056","","","0.1062","0.1294","","","","","","1.062","","","","has coordinates,has Fobs","139608","2020-10-21","18:00:00",""
"2241185","24.0182","0.0013","26.8445","0.0014","7.914","0.0004","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Methyl-2-methylamino-3-nitro-1<i>H</i>-chromeno[2,3-<i>b</i>]pyridin-5(10a<i>H</i>)-one","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C224 H208 N48 O64 -","16","1","HB7515","Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 1-methyl-2-methylamino-3-nitro-1<i>H</i>-chromeno[2,3-<i>b</i>]pyridin-5(10<i>aH</i>)-one","Acta Crystallographica Section E","2015","71","11","o824","o825","10.1107/S2056989015018241","","","0.71073","MoKα","","0.0336","0.03","","","0.0733","0.0759","","","","","","1.044","","","","has coordinates,has Fobs","160586","2020-10-21","18:00:00",""
"2241402","29.7954","0.0012","21.3566","0.0008","8.5844","0.0003","90","","90","","90","","5462.5","0.4","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ^2^<i>N</i>,<i>N</i>'}zinc","","- C24 H42 N4 Si2 Zn -","- C24 H42 N4 Si2 Zn -","- C192 H336 N32 Si16 Zn8 -","8","0.5","","Chen, Juan","Crystal structure of bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ^2^<i>N</i>,<i>N</i>'}zinc","Acta Crystallographica Section E","2015","71","12","m246","","10.1107/S2056989015022768","","","0.71073","MoKα","","0.0204","0.0189","","","0.05","0.0506","","","","","","1.115","","","","has coordinates,has Fobs","171486","2020-10-21","18:00:00",""
"2241715","19.1926","0.0009","36.3044","0.0012","5.293","0.0002","90","","90","","90","","3688","0.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc","","- C14 H12 N6 O2 S2 Zn -","- C14 H12 N6 O2 S2 Zn -","- C112 H96 N48 O16 S16 Zn8 -","8","0.5","WM5297","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2016","72","7","922","925","10.1107/S2056989016008963","","","0.71073","MoKα","","0.0349","0.0311","","","0.0658","0.0672","","","","","","1.125","","","","has coordinates,has Fobs","183352","2020-10-21","18:00:00",""
"2241843","35.4631","0.0011","40.2873","0.0012","4.8423","0.0001","90","","90","","90","","6918.3","0.3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[{μ~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","","- C19 H15 Co N3 O5 -","- C19 H15 Co N3 O5 -","- C304 H240 Co16 N48 O80 -","16","1","PK2590","Zhao, Can; Li, Xiao-Zong; Kang, Hong-Lan; Wen, Yi-Hang","Crystal structure of poly[{μ~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","Acta Crystallographica Section E","2016","72","10","1425","1428","10.1107/S205698901601402X","","","0.71073","MoKα","","","0.0293","","","0.0585","0.061","","","","","","1.018","","","","has coordinates,has Fobs","186493","2020-10-21","18:00:00",""
"2241846","18.599","0.004","26.986","0.005","14.042","0.003","90","","90","","90","","7048","3","243","2","243","2","","","","","","","","6","F d d 2","F 2 -2d","43","","<i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)]","","- C22 H48 Cl4 Cr2 N8 O12 -","- C22 H48 Cl4 Cr2 N8 O12 -","- C176 H384 Cl32 Cr16 N64 O96 -","8","0.5","WM5323","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)] diperchlorate from synchrotron data","Acta Crystallographica Section E","2016","72","10","1417","1420","10.1107/S2056989016014134","","","0.67","synchrotron","","0.0651","0.0567","","","0.1427","0.1502","","","","","","1.036","","","","has coordinates,has Fobs","186495","2020-10-21","18:00:00",""
"2241895","36.03","0.002","24.2248","0.0016","10.1301","0.0006","90","","90","","90","","8841.7","0.9","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2'-Benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C448 H416 N32 O32 -","16","1","","Chandrarekha, M.; Srinivasan, N.; Kottala Vijaya, P.; Siva, A.; Krishnakumar, R. V.","Crystal structures of 2'-benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","Acta Crystallographica Section E","2016","72","11","1637","1641","10.1107/S2056989016016741","","","0.71073","MoKα","","0.0701","0.0413","","","0.0967","0.1126","","","","","","0.984","","","","has coordinates","187561","2020-10-21","18:00:00",""
"2242310","18.965","0.003","41.216","0.007","5.1117","0.0007","90","","90","","90","","3995.6","1.1","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C14 H12 N6 S4 Zn -","- C14 H12 N6 S4 Zn -","- C112 H96 N48 S32 Zn8 -","8","0.5","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2018","74","2","141","146","10.1107/S205698901800021X","","","0.71073","MoKα","","0.0455","0.0396","","","0.1035","0.1091","","","","","","1.071","","","","has coordinates,has Fobs","205163","2020-10-21","18:00:00",""
"2242696","17.6701","0.001","30.9809","0.0019","10.1452","0.0005","90","","90","","90","","5553.8","0.5","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)manganese(II)","","- C24 H40 Cl2 Mn N4 -","- C24 H40 Cl2 Mn N4 -","- C192 H320 Cl16 Mn8 N32 -","8","0.5","ZL2740","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0312","0.0261","","","0.0532","0.0543","","","","","","0.981","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242697","17.5703","0.0009","30.9167","0.0012","10.111","0.0006","90","","90","","90","","5492.5","0.5","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)iron(II)","","- C24 H40 Cl2 Fe N4 -","- C24 H40 Cl2 Fe N4 -","- C192 H320 Cl16 Fe8 N32 -","8","0.5","","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0393","0.0331","","","0.0722","0.0741","","","","","","1.014","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242849","60.3649","0.0018","19.8364","0.0009","7.9773","0.0003","90","","90","","90","","9552.2","0.6","295","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","","- C16 H42 Br2 N4 Ni O3 -","- C16 H36 Br2 N4 Ni O3 -","- C256 H576 Br32 N64 Ni16 O48 -","16","1","","Corfield, Peter W. R.; Goedken, Virgil L.","Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate","Acta Crystallographica Section E","2019","75","3","332","337","10.1107/S2056989019002056","","","0.7107","MoKα","","0.0404","0.0346","","","0.0819","0.0849","","","","","","1.041","","","","has coordinates,has Fobs","213582","2020-10-21","18:00:00",""
"2243187","21.673","0.004","28.296","0.006","9.7466","0.0019","90","","90","","90","","5977","2","83","2","83","2","","","","","","","","5","F d d 2","F 2 -2d","43","tBu2Si{O(Me)ZrCp2}2","(μ-Di-<i>tert</i>-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]","","- C30 H44 O2 Si Zr2 -","- C30 H44 O2 Si Zr2 -","- C240 H352 O16 Si8 Zr16 -","8","0.5","HB4319","Berg, David J.; Gajecki, Leah; Hill, Hunter; Twamley, Brendan","(μ-Di-<i>tert</i>-butylsilanediolato)bis[bis(η^5^-cyclopentadienyl)methylzirconium]","Acta Crystallographica Section E","2019","75","12","1848","1852","10.1107/S2056989019014762","","","0.71073","MoKα","","0.0241","0.0236","","","0.0549","0.0551","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","225422","2020-10-21","18:00:00",""
"2243619","31.9834","0.0014","27.7358","0.0013","6.661","0.0004","90","","90","","90","","5908.9","0.5","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","2,6-Bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","4-[6-(3-Hydroxy-3-methylbut-1-yn-1-yl)pyridin-2-yl]-2-methylbut-3-yn-2-ol monohydrate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C240 H304 N16 O48 -","16","1","IS5553","Koizumi, Take-aki; Takata, Toshikazu","Crystal structure of 2,6-bis(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine monohydrate","Acta Crystallographica Section E","2020","76","11","1737","1740","10.1107/S2056989020013304","","x-ray","1.54184","CuKα","","0.0297","0.0294","","","0.081","0.0815","","","","","","1.037","","","","has coordinates,has Fobs","258297","2020-10-21","18:00:00",""
"2243916","31.676","0.002","44.806","0.003","12.6056","0.0008","90","","90","","90","","17891","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)","","- C73 H79.94 F2 Fe8 N9 O32.47 -","- C73 H79.944 F2 Fe8 N9 O32.472 -","- C584 H639.552 F16 Fe64 N72 O259.776 -","8","0.5","ZL5012","Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.","Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)","Acta Crystallographica Section E","2021","77","10","1003","1009","10.1107/S2056989021009208","","","0.71073","MoKα","","0.0547","0.0385","","","0.0831","0.0902","","","","","","1.045","","","","has coordinates,has disorder","271922","2022-01-06","23:33:37",""
"2310367","11.32","","20.06","","6","","90","","90","","90","","1362.47","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Ca Na2 (C O3)2 (H2 O)2","","- C2 H4 Ca Na2 O8 -","- C2 H4 Ca Na2 O8 -","- C16 H32 Ca8 Na16 O64 -","8","0.5","","Corazza, E.; Sabelli, C.","The crystal structure of pirssonite, Ca Na2 (C O3)2 (H2 O)2","Acta Crystallographica (1,1948-23,1967)","1967","23","","763","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310439","5.828","","25.86","","11.002","","90","","90","","90","","1658.13","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Cd (N O3)2 (H2 O)4","","- Cd H8 N2 O10 -","- Cd H8 N2 O10 -","- Cd8 H64 N16 O80 -","8","0.5","","Matkovic, B.; Ribar, B.; Zelenko, B.; Peterson, S.W.","Refinement of the Structure of Cd (N O3 2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1966","21","","719","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2310478","12.49","","21.85","","4.41","","90","","90","","90","","1203.52","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","N2 H5 Cl","","- Cl H5 N2 -","- Cl H5 N2 -","- Cl16 H80 N32 -","16","1","","Sakurai, K.; Tomiie, Y.","The crystal structure of hydrazinium chloride, N~2~H~5~Cl","Acta Crystallographica (1,1948-23,1967)","1952","5","2","293","294","10.1107/S0365110X5200085X","","","","","","","","","","","","","","","","","","","","","has coordinates","189486","2020-10-21","18:00:00",""
"2310503","11.182","","22.873","","10.573","","90","","90","","90","","2704.21","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Th (N O3)4 (H2 O)5","","- H10 N4 O17 Th -","- H10 N4 O17 Th -","- H80 N32 O136 Th8 -","8","0.5","","Ueki, T.; Zalkin, A.; Templeton, D.H.","Crystal Structure of Thorium Nitrate Pentahydrate by X-ray Diffraction","Acta Crystallographica (1,1948-23,1967)","1966","20","","836","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310829","9.14","","16.85","","4.58","","90","","90","","90","","705.361","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","S O2 (N H2)2","","- H4 N2 O2 S -","- H4 N2 O2 S -","- H32 N16 O16 S8 -","8","0.5","","Trueblood, K. N.; Mayer, S. W.","The crystal structure of sulfamide","Acta Crystallographica","1956","9","8","628","634","10.1107/s0365110x5600173x","","","","","","","","","","","","","","","","","","","","","has coordinates","203507","2020-10-21","18:00:00",""
"2311489","20.8869","0.0016","22.4197","0.0013","9.6352","0.0006","90","","90","","90","","4512","0.5","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane‒4-iodophenol (1/2)","","- C20 H26 I2 N4 O2 -","- C20 H26 I2 N4 O2 -","- C160 H208 I16 N32 O16 -","8","0.5","SJ5537","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1<sup>3,8</sup>]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1692","1695","10.1107/S2056989017014943","","","0.71073","MoKα","","0.025","0.0246","","","0.0645","0.0647","","","","","","1.057","","","","has coordinates","245925","2020-10-21","18:00:00",""
"2312108","46.689","0.004","12.2502","0.0006","8.2435","0.0004","90","","90","","90","","4714.9","0.5","130","0.1","130","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","5-dimethylaminomethylidene-4-(2-hydroxyphenyl)amino-1,3-thiazol-2(5H)-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C192 H208 N48 O32 S16 -","16","1","","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Jaskolski, Mariusz; Gzella, Andrzej K.","Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","3","220","232","10.1107/S2052520623003852","","","1.54184","CuKα","","0.0298","0.0279","","","0.0684","0.07","","","","","","1.059","","","","has coordinates,has Fobs","284365","2023-06-06","05:27:45",""
"2312163","37.3964","0.0018","18.478","0.0007","5.1164","0.0002","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(4-methylpyridine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc(II)","","- C14 H14 N4 Se2 Zn -","- C14 H14 N4 Se2 Zn -","- C112 H112 N32 Se16 Zn8 -","8","0.5","HB8052","Näther, Christian; Jess, Inke","Syntheses and crystal structures of bis-(4-methyl-pyridine-κ<i>N</i>)bis-(seleno-cyanato-κ<i>N</i>)zinc(II) and <i>catena</i>-poly[[bis-(4-methyl-pyridine-κ<i>N</i>)cadmium(II)]-di-μ-seleno-cyanato-κ<sup>2</sup> <i>N</i>:<i>Se</i>;κ<sup>2</sup> <i>Se</i>:<i>N</i>].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","136","141","10.1107/S2056989023000920","","","0.71073","MoKα","","0.0323","0.029","","","0.0652","0.0665","","","","","","1.13","","","","has coordinates,has Fobs","285621","2023-08-11","01:57:45",""
"2312296","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.172","0.1458","","","0.3033","0.3052","","","","7.8689","7.8689","6.2593","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312297","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1688","0.1337","","","0.2251","0.2642","","","","3.0687","3.0687","2.9272","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312298","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1648","0.149","","","0.3737","0.406","","","","1.6363","1.6363","1.4801","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312299","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1609","0.1467","","","0.339","0.3634","","","","1.8692","1.8692","1.7822","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312300","18.2872","0.0011","18.666","0.0014","6.6222","0.0003","90","","90","","90","","2260.5","0.2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","natrolite","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1606","0.1469","","","0.3411","0.366","","","","1.8672","1.8672","1.7825","","","","has coordinates","286386","2023-09-18","11:42:51",""
"2312373","15.0989","0.0017","59.567","0.007","10.954","0.0012","90","","90","","90","","9852","1.9","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","cilnidipine","(rac)-3-cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C432 H448 N32 O112 -","16","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","0.6889","Synchrotron","","0.0458","0.0398","","","0.0915","0.0936","","","","","","0.986","","","","has coordinates,has Fobs","289678","2024-02-05","12:04:35",""
"3000471","15.213","","37.104","","3.805","","90","","90","","90","","2147.78","","79","","79","","","","","","","","","3","F d d 2","F 2 -2d","","","","","- C14 H10 O2 -","","","","","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","","To be published","","","","","","","","","0.02508","electrons","","0.1519","0.1339","","","0.3188","0.328","","","","","","1.261","","","","","288999","2024-01-10","01:51:57","2024-12-10"
"4000063","20.6215","0.0004","36.4257","0.0002","6.2408","0.0001","90","","90","","90","","4687.79","0.12","198","2","198","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H20 Cd N2 O4 -","- C28 H20 Cd N2 O4 -","- C224 H160 Cd8 N16 O32 -","8","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0612","0.0397","","","0.0755","0.0792","","","","","","0.883","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000101","21.189","0.003","28.212","0.004","10.05","0.002","90","","90","","90","","6007.7","1.7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis(dibenzoylmethanato)(2-methylpyridine)zinc(","Bis(1,3-diphenyl-1,3-propanediono)(2-methylpyridine)zinc(II)","","- C36 H29 N O4 Zn -","- C36 H29 N O4 Zn -","- C288 H232 N8 O32 Zn8 -","8","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0271","0.0251","","","0.066","0.0674","","","","","","1.039","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000405","21.7601","0.0014","21.8585","0.0015","13.406","0.0009","90","","90","","90","","6376.5","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Mg Se4 Sn Sr -","- Mg Se4 Sn Sr -","- Mg32 Se128 Sn32 Sr32 -","32","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0484","0.0301","","","0.0694","0.0739","","","","","","1.155","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000406","21.8916","0.0012","21.8933","0.0012","13.547","0.0007","90","","90","","90","","6492.8","0.6","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Se4 Sn2 Sr -","- Se4 Sn2 Sr -","- Se128 Sn64 Sr32 -","32","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0467","0.0331","","","0.0992","0.1044","","","","","","1.308","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000610","19.9772","0.0007","39.3924","0.0015","3.539","0.0001","90","","90","","90","","2785.4","0.2","298","","298","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C4 H5 Ag N4 O3 -","- C4 H2 Ag N4 O3 -","- C64 H32 Ag16 N64 O48 -","16","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4001224","11.943","0.005","22.59","0.008","6.805","0.002","90","","90","","90","","1835.9","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Li S6 -","- Ga2 Ge Li2 S6 -","- Ga16 Ge8 Li16 S48 -","8","0.5","","Kim, Youngsik; Seo, In-seok; Martin, Steve W.; Baek, Jaewook; Shiv Halasyamani, P.; Arumugam, Nachiappan; Steinfink, Hugo","Characterization of New Infrared Nonlinear Optical Material with High Laser Damage Threshold, Li2Ga2GeS6","Chemistry of Materials","2008","20","19","6048","","10.1021/cm8007304","","","0.71073","MoKα","","0.0459","0.0459","","","0.113","0.113","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002144","10.0421","0.0003","15.3656","0.0004","5.5778","0.0002","90","","90","","90","","860.67","0.05","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Ca2 Ge Pd2 -","- Ca2 Ge Pd2 -","- Ca16 Ge8 Pd16 -","8","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0207","0.0175","","","0.0378","0.0384","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002156","47.135","0.016","7.578","0.003","12.161","0.004","90","","90","","90","","4344","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Pb Se6 -","- Ga2 Ge Pb Se6 -","- Ga32 Ge16 Pb16 Se96 -","16","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0315","0.0269","","","0.0492","0.0507","","","","","","0.946","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4003053","10.49049","0.00013","10.56034","0.00009","10.50156","0.00013","90","","90","","90","","1163.4","0.02","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","Cd2Nb2O6.75S0.25","- Cd Nb O3.39 S0.11 -","- Cd Nb O3.39 S0.11 -","- Cd16 Nb16 O54.24 S1.76 -","16","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","2.05","","","","","","","has coordinates","220472","2020-10-21","18:00:00",""
"4003403","27.623","0.003","54.155","0.005","4.6034","0.0005","90","","90","","90","","6886.3","1.2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H24 I8 N2 O2 Pb3 -","- C14 H24 I8 N2 O2 Pb3 -","- C112 H192 I64 N16 O16 Pb24 -","8","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0332","0.026","","","0.0618","0.0653","","","","","","1.038","","","","has coordinates","231577","2020-10-21","18:00:00",""
"4003673","40.2","0.008","45.72","0.009","4.58","0.0009","90","","90","","90","","8418","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H38 I8 N8 O4 Pb3 -","- C14 H38 I8 N8 O4 Pb3 -","- C112 H304 I64 N64 O32 Pb24 -","8","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.048","0.0445","","","0.1014","0.1036","","","","","","0.849","","","","has coordinates","256269","2020-10-21","18:00:00",""
"4020555","13.5218","0.001","36.256","0.003","4.4236","0.0003","90","","90","","90","","2168.6","0.3","150","1","150","1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N4 S2 -","- C9 H12 N4 S2 -","- C72 H96 N32 S16 -","8","0.5","","Rosalice M. Silva; Mark D. Smith; James R. Gardinier","Unexpected New Chemistry of the Bis(thioimidazolyl)methanes","Journal of Organic Chemistry","2005","70","","8755","8763","10.1021/jo051101o","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020557","16.5867","0.0017","44.319","0.006","5.7826","0.0006","90","","90","","90","","4250.8","0.8","110","2","110","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C224 H208 N16 -","8","0.5","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020617","29.217","0.003","54.471","0.005","6.1768","0.0006","90","","90","","90","","9830.2","1.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H29 N O3 Si -","- C28 H29 N O3 Si -","- C448 H464 N16 O48 Si16 -","16","1","","Christopher J. T. Hyland; Louis S. Hegedus","Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides","Journal of Organic Chemistry","2005","70","","8628","8630","10.1021/jo051385c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020872","30.408","0.002","32.819","0.002","6.0421","0.0004","90","","90","","90","","6029.8","0.7","293","","293","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H21 Cl O3.5 P3 Pt -","- C6 H20 Cl O3.5 P3 Pt -","- C96 H320 Cl16 O56 P48 Pt16 -","16","1","","Xiao-bin Jiang; Adriaan J. Minnaard; Ben L. Feringa; Johannes G. de Vries","Platinum-Catalyzed Selective Hydration of Hindered Nitriles and Nitriles with Acid- or Base-Sensitive Groups","Journal of Organic Chemistry","2004","69","","2327","2331","10.1021/jo035487j","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020941","44.8648","0.0003","5.4949","0.0001","25.2753","0.0004","90","","90","","90","","6231.06","0.16","298","2","298","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H24 Se6 -","- C31 H24 Se6 -","- C248 H192 Se48 -","8","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4022129","28.4738","0.0017","49.755","0.003","9.3187","0.0006","90","","90","","90","","13202","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H38 N2 O4 S2 -","- C38 H39 N2 O4 S2 -","- C608 H624 N32 O64 S32 -","16","1","","Sang Ick Lee; Soo Min Kim; Mi Ra Choi; Sun Young Kim; Young Keun Chung; Won-Sik Han; Sang Ook Kang","Au(I)-Catalyzed Cyclization of Enynes Bearing an Olefinic Cycle","Journal of Organic Chemistry","2006","71","","9366","9372","10.1021/jo061254r","","","0.71073","MoKα","","0.0994","0.0503","","","0.1077","0.1304","","","","","","1.008","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022549","16.161","0.009","17.821","0.016","13.764","0.009","90","","90","","90","","3964","5","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C192 H192 O32 -","8","0.5","","Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez","Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate","Journal of Organic Chemistry","2003","68","","8715","8718","10.1021/jo035062x","","","0.71069","MoKα","","0.1928","0.0495","","","0.1401","0.1986","","","","","","0.817","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022644","13.691","0.014","46.59","0.05","8.981","0.009","90","","90","","90","","5729","10","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H42 N4 O2 -","- C32 H42 N4 O2 -","- C256 H336 N32 O16 -","8","0.5","","Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell","Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine","Journal of Organic Chemistry","2007","72","","2302","2308","10.1021/jo061989w","","","0.71073","MoKα","","0.1313","0.0989","","","0.2481","0.2718","","","","","","1.043","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022688","40.222","0.016","18.798","0.007","10.308","0.005","90","","90","","90","","7794","6","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C400 H384 O48 -","16","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7093","MoKα","","0.121","0.0697","","","0.2041","0.2612","","","","","","0.96","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4023106","18.707","0.005","37.206","0.009","11.35","0.003","90","","90","","90","","7900","3","211","2","211","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H30 O -","- C25 H30 O -","- C400 H480 O16 -","16","1","","Steve Arns; Marie-Eve Lebrun; Christiane M. Grisé; Irina Denissova; Louis Barriault","Diastereoselective Construction of Quaternary Carbons Directed via Macrocyclic Ring Conformation: Formal Synthesis of (-)-Mesembrine","Journal of Organic Chemistry","2007","72","","9314","9322","10.1021/jo701833v","","","0.71073","MoKα","","0.0412","0.0376","","","0.0934","0.0954","","","","","","1.006","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023548","45.814","0.007","9.4317","0.0013","11.6643","0.0016","90","","90","","90","","5040.2","1.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H14 Br O2.5 -","- C14 H14 Br O2.5 -","- C224 H224 Br16 O40 -","16","1","","Min Shi; Xiang-Ying Tang; Yong-Hua Yang","Lewis Acid-Mediated Reactions of 1-Cyclopropyl-2-arylethanone Derivatives with Allenic Ester, Ethyl Acetoacetate, and Methyl Acrylate","Journal of Organic Chemistry","2008","73","","5311","5318","10.1021/jo800608h","","","0.71073","MoKα","","0.0612","0.0469","","","0.0979","0.1013","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024028","18.987","0.004","24.295","0.005","9.2123","0.0015","90","","90","","90","","4249.6","1.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C176 H176 N48 O32 -","16","1","","Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport","Enols of Substituted Cyanomalonamides","Journal of Organic Chemistry","2007","72","","5297","5312","10.1021/jo070877h","","","0.71073","MoKα","","0.0428","0.0405","","","0.095","0.0965","","","","","","1.086","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024246","25.862","0.001","12.875","0.001","20.539","0.001","90","","90","","90","","6838.9","0.7","122.4","0.5","122.4","0.5","","","","","","","","5","F d d 2","F 2 -2d","43","","trans-4-[6-(4-Nitrophenyl)hex-3-ene-1,5-diynyl]tetrathiafulvalene","","- C18 H9 N O2 S4 -","- C18 H9 N O2 S4 -","- C288 H144 N16 O32 S64 -","16","1","","Asbjørn S. Andersson; Lasse Kerndrup; Anders Ø. Madsen; Kristine Kilså; Mogens Brøndsted Nielsen; Philip R. La Porta; Ivan Biaggio","Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors","Journal of Organic Chemistry","2009","74","","375","382","10.1021/jo802190q","","","0.71073","MoKα","","0.038","0.0316","","","0.0755","0.0801","","","","","","1.069","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024298","21.6856","0.0012","39.832","0.002","6.9889","0.0004","90","","90","","90","","6036.8","0.6","180","2","180","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C272 H352 O64 -","16","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0403","0.0372","","","0.0975","0.111","","","","","","1.458","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024344","25.902","0.004","28.819","0.004","8.794","0.002","90","","90","","90","","6564","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","methyl 2,4-dimethyl-1,3-dioxo-7-(trifluoromethyl)-2,3,3a,4,9,9a- hexahydro-1H-benzo[f]isoindole-4-carboxylate","","- C17 H16 F3 N O4 -","- C17 H16 F3 N O4 -","- C272 H256 F48 N16 O64 -","16","1","","Manon Chaumontet; Pascal Retailleau; Olivier Baudoin","Cycloadditions of 1,1-Disubstituted Benzocyclobutenes Obtained by C(sp3)-H Activation","Journal of Organic Chemistry","2009","74","","1774","1776","10.1021/jo802471u","","","0.7107","MoKα","","0.0511","0.0365","","","0.0884","0.0957","","","","","","1.042","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024364","25.5577","0.0003","27.3903","0.0003","12.1987","0.0001","90","","90","","90","","8539.49","0.15","293","2","293","2","","","","","","","synthesis as described","4","F d d 2","F 2 -2d","43","Paquette 1597","","","- C26 H22 N2 O5 -","- C26 H22 N2 O5 -","- C416 H352 N32 O80 -","16","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0517","0.0364","","","0.0834","0.0901","","","","","","1.023","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024562","31.869","0.005","36.63","0.006","5.7018","0.001","90","","90","","90","","6656","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H19 Cl O2 -","- C19 H19 Cl O2 -","- C304 H304 Cl16 O32 -","16","1","","Ruwei Shen; Shugao Zhu; Xian Huang","Unexpected Pd-Catalyzed Coupling, Propargyl-Allenyl Isomerization and Alder-Ene Reaction: Facile Synthesis of Some Not Readily Available 2,3-Dihydrofuran Derivatives","Journal of Organic Chemistry","2009","74","","4118","4123","10.1021/jo900440u","","","0.71073","MoKα","","0.0991","0.0523","","","0.1035","0.1136","","","","","","0.822","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4025686","12.0282","0.0001","34.3106","0.0006","11.2526","0.0001","90","","90","","90","","4643.89","0.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H16 O3 S -","- C11 H16 O3 S -","- C176 H256 O48 S16 -","16","1","","Michael G. Brant; Caleb M. Bromba; Jeremy E. Wulff","Tandem Vinylogous 1,2-Addition/Anionic Oxy-Cope Reaction Leading from Butadiene Sulfone to an Orthogonally Functionalized Bicycle","Journal of Organic Chemistry","2010","75","","6312","6315","10.1021/jo101389c","","","1.54178","CuKα","","0.0264","0.026","","","0.0666","0.0669","","","","","","1.077","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4026859","7.2615","0.0009","23.068","0.003","25.8","0.002","90","","90","","90","","4321.7","0.8","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C200 H224 O32 -","8","0.5","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0578","0.0432","","","0.1049","0.1104","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4027468","19.399","0.003","73.053","0.006","6.4702","0.0007","90","","90","","90","","9169.3","1.9","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H26 N4 O S -","- C26 H28 N4 O S -","- C416 H448 N64 O16 S16 -","16","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0358","0.0351","","","0.1011","0.1042","","","","","","0.817","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027796","36.2985","0.0006","34.2014","0.0008","9.2314","0.0002","90","","90","","90","","11460.4","0.4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H34 N4 O9 -","- C29 H34 N4 O9 -","- C464 H544 N64 O144 -","16","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","","0.71073","MoKα","","0.049","0.0435","","","0.1086","0.1164","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028154","20.059","0.0005","34.2353","0.0008","9.2333","0.0002","90","","90","","90","","6340.7","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C272 H304 N16 O48 S16 -","16","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.0394","0.0379","","","0.0948","0.0967","","","","","","1.104","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028285","18.05","0.002","35.092","0.004","16.8645","0.0019","90","","90","","90","","10682","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C33 H28 N2 O3 -","- C33 H28 N2 O3 -","- C528 H448 N32 O48 -","16","1","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.101","0.0484","","","0.1221","0.1446","","","","","","1.007","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028404","41.4219","0.0012","21.0998","0.0006","10.1443","0.0003","90","","90","","90","","8866.1","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C19 H37 N3 O4 S -","- C19 H37 N3 O4 S -","- C304 H592 N48 O64 S16 -","16","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0357","0.0351","","","0.0961","0.0967","","","","","","1.043","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4029603","10.7584","0.0003","41.2284","0.0011","9.1427","0.0002","90","","90","","90","","4055.26","0.18","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C224 H144 N48 -","16","1","","Li, Chao; Zhang, Wen-Ting; Wang, Xiang-Shan","CuI-Catalyzed C-N Bond Formation and Cleavage for the Synthesis of Benzimidazo[1,2-a]quinazoline Derivatives.","The Journal of organic chemistry","2014","79","12","5847","5851","10.1021/jo5007398","","","0.71073","MoKα","","0.0315","0.0273","","","0.0658","0.0688","","","","","","1.086","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4030430","9.59","0.006","9.284","0.006","5.712","0.003","90","","90","","90","","508.6","0.5","","","293","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- F4 Pt -","- F4 Pt -","- F32 Pt8 -","8","0.5","","Muller, B.G.; Serafin, M.","Single-crystal investigations on PtF4 and PtF5","European Journal of Solid State and Inorganic Chemistry","1992","29","","625","633","","","x-ray","0.5609","AgKα","","","0.042","","","0.031","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4031448","11.425","","17.658","","6.154","","90","","90","","90","","1241.52","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","K2 (Cu (C O3)2)","","- C2 Cu K2 O6 -","- C2 Cu K2 O6 -","- C16 Cu8 K16 O48 -","8","0.5","","Figgis, B.N.; Reynolds, P.A.; White, A.H.; Geoffrey, A.W.","The electronic structure of copper in the polymer potassium bis(carbonato)cuprate(II) as determined from precise X-Ray diffraction data","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1981","1981","","371","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031799","24.84","","13.65","","12.91","","90","","90","","90","","4377.34","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","(Br Hg)2 Fe (C O)4","","- C4 Br2 Fe Hg2 O4 -","- C4 Br2 Fe Hg2 O4 -","- C64 Br32 Fe16 Hg32 O64 -","16","1","","Baird, H.W.; Dahl, L.F.","The crystal and molecular structure of (Br Hg)2 Fe (C O)4","Journal of Organometallic Chemistry","1967","7","","503","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031843","15.6972","0.0004","37.1771","0.0011","12.9487","0.0004","90","","90","","90","","7556.6","0.4","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C50 H42 N2 O4 -","- C50 H42 N2 O4 -","- C400 H336 N16 O32 -","8","0.5","","Schmidt, Hauke C.; Spulber, Mariana; Neuburger, Markus; Palivan, Cornelia G.; Meuwly, Markus; Wenger, Oliver S.","Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds.","The Journal of organic chemistry","2016","81","2","595","602","10.1021/acs.joc.5b02427","","","1.54178","CuKα","","0.0238","0.0237","","0.026","0.0259","0.0259","","","","","","1.1238","","","","has coordinates","175704","2020-10-21","18:00:00",""
"4032359","37.5107","0.0016","29.4085","0.0015","6.2109","0.0004","90","","90","","90","","6851.5","0.6","120","0.1","120","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 Fe2 O4 P -","- C20 H17 Fe2 O4 P -","- C320 H272 Fe32 O64 P16 -","16","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.04","0.0316","","","0.0616","0.064","","","","","","1.039","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032393","21.533","0.004","30.738","0.006","11.627","0.002","90","","90","","90","","7696","2","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C336 H384 O112 -","16","1","","Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing","Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02921","","","0.71073","MoKα","","0.0487","0.0361","","","0.0798","0.086","","","","","","1.02","","","","has coordinates","194272","2020-10-21","18:00:00",""
"4032668","34.451","0.0004","27.1978","0.0004","9.5573","0.0001","90","","90","","90","","8955.11","0.19","150","","150","","","","","","","","local","5","F d d 2","F 2 -2d","43","","","","- C24 H31 N O4 Si -","- C24 H31 N O4 Si -","- C384 H496 N16 O64 Si16 -","16","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","","1.54184","CuKα","","0.0347","0.0338","","0.0891","0.0884","0.0891","","","","","","1.0021","","","","has coordinates","199581","2020-10-21","18:00:00",""
"4032798","18.6126","0.0008","26.1321","0.0012","8.1858","0.0004","90","","90","","90","","3981.5","0.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C128 H80 N80 O64 -","16","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0388","0.0373","","","0.0983","0.1002","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032912","36.553","0.005","10.5914","0.0015","15.847","0.002","90","","90","","90","","6135.1","1.4","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C256 H240 N48 O64 -","16","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0404","0.0395","","","0.1059","0.1064","","","","","","1.068","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032997","41.9318","0.0018","10.6612","0.0005","9.9175","0.0004","90","","90","","90","","4433.6","0.3","173","","173","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C144 H64 Cl48 N48 O16 -","16","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0555","0.0412","","","0.0865","0.0989","","","","","","1.01","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033264","33.7382","0.0008","26.6877","0.0008","4.17233","0.00011","90","","90","","90","","3756.74","0.17","117","","117","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H7 I O4 -","- C8 H7 I O4 -","- C128 H112 I16 O64 -","16","1","","Dieckmann, Michael Christian; Dakas, Pierre-Yves; De Mesmaeker, Alain","Synthetic access to non-canonical strigolactones - Syntheses of carlactonic acid and methyl carlactonoate.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02465","","","1.54184","CuKα","","0.0685","0.068","","0.1608","0.1599","0.1608","","","","","","0.9423","","","","has coordinates","204090","2020-10-21","18:00:00",""
"4033860","14.014","0.0018","17.049","0.002","4.9969","0.0005","90","","90","","90","","1193.9","0.2","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C4 H4 N6 -","- C4 H4 N6 -","- C32 H32 N48 -","8","0.5","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0589","0.0354","","","0.0725","0.0809","","","","","","1.015","","","","has coordinates","222437","2020-10-21","18:00:00",""
"4034016","55.259","0.002","21.9278","0.0009","7.1347","0.0003","90","","90","","90","","8645.2","0.6","150","","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H23 N5 O3 S -","- C22 H23 N5 O3 S -","- C352 H368 N80 O48 S16 -","16","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","","1.5418","CuKα","","0.0441","0.0437","","0.1287","0.1274","0.1271","","","","","","1.0196","","","","has coordinates","222575","2020-10-21","18:00:00",""
"4034757","21.3113","0.0008","43.3656","0.0017","8.4955","0.0003","90","","90","","90","","7851.3","0.5","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H20 O7 -","- C24 H20 O7 -","- C384 H320 O112 -","16","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0547","0.0535","","","0.1477","0.149","","","","","","1.042","","","","has coordinates,has disorder","226280","2020-10-21","18:00:00",""
"4034832","23.367","0.012","70.7","0.04","5.211","0.003","90","","90","","90","","8609","8","296","2","296.15","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C432 H416 O64 -","16","1","","Wang, Cong-Shuai; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Metal-Catalyzed Oxa-[4+2] Cyclizations of Quinone Methides with Alkynyl Benzyl Alcohols.","The Journal of organic chemistry","2018","83","22","13861","13873","10.1021/acs.joc.8b02186","","","0.71073","MoKα","","0.1943","0.0641","","","0.1052","0.1406","","","","","","0.954","","","","has coordinates","226352","2020-10-21","18:00:00",""
"4035071","40.6426","0.0012","19.3429","0.0005","5.63427","0.00014","90","","90","","90","","4429.4","0.2","150","","150","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C26 H34 N2 O2 -","- C26 H34 N2 O2 -","- C208 H272 N16 O16 -","8","0.5","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0276","0.027","","0.0699","0.0693","0.0699","","","","","","1.0053","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035820","15.4095","0.001","90.764","0.006","4.2446","0.0003","90","","90","","90","","5936.6","0.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","iodo chlorophenyl phenylselenophene","3-iodo-4-(4-chlorophenyl)-2-phenylselenophene","","- C16 H10 Cl I Se -","- C16 H10 Cl I Se -","- C256 H160 Cl16 I16 Se16 -","16","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","1.54178","CuKα","","0.0336","0.0335","","","0.0958","0.0959","","","","","","1.088","","","","has coordinates","227244","2020-10-21","18:00:00",""
"4035858","27.7776","0.0014","44.788","0.003","6.8825","0.0004","90","","90","","90","","8562.5","0.9","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H44 I2 N16 Na2 O10 -","- C28 H44 I2 N16 Na2 O10 -","- C224 H352 I16 N128 Na16 O80 -","8","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0575","0.037","","","0.0556","0.0611","","","","","","1.001","","","","has coordinates","227270","2020-10-21","18:00:00",""
"4035901","68.03","0.09","22.65","0.03","10.235","0.006","90","","90","","90","","15771","3","150","2","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C53 H38 N2 O S -","- C53 H38 N2 O S -","- C848 H608 N32 O16 S16 -","16","1","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of Unsymmetrical Heterobenzisapphyrins.","The Journal of organic chemistry","2019","84","1","417","422","10.1021/acs.joc.8b02616","","x-ray","0.71073","MoKα","","0.159","0.105","","","0.2398","0.2863","","","","","","1.028","","","","has coordinates","227301","2020-10-21","18:00:00",""
"4035908","28.859","0.002","49.537","0.003","12.0811","0.0007","90","","90","","90","","17271","1.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45.59 H13.97 Cl2.41 F20 N4 O4 -","- C45.588 H13.97 Cl2.412 F20 N4 O4 -","- C729.408 H223.52 Cl38.592 F320 N64 O64 -","16","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.086","0.0691","","","0.181","0.1974","","","","","","1.066","","","","has coordinates,has disorder","227308","2020-10-21","18:00:00",""
"4037106","19.68","0.005","46.734","0.011","6.8945","0.0017","90","","90","","90","","6341","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H36 Br2 S4 Si4 -","- C20 H36 Br2 S4 Si4 -","- C160 H288 Br16 S32 Si32 -","8","0.5","","Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua","Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2016","81","18","8612","8616","10.1021/acs.joc.6b01506","","","0.71073","MoKα","","0.0619","0.0389","","","0.0811","0.0887","","","","","","1.004","","","","has coordinates","235673","2020-10-21","18:00:00",""
"4037610","20.428","0.003","40.293","0.005","9.1395","0.0011","90","","90","","90","","7522.8","1.7","100","0.5","100","0.5","","","","","","","","4","F d d 2","F 2 -2d","43","frosj01","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C368 H400 N16 O32 -","16","1","","Jacob, Steven D.; Brooks, Joshua L.; Frontier, Alison J.","No acid required: 4π and 6π electrocyclization reactions of dienyl diketones for the synthesis of cyclopentenones and 2H-Pyrans.","The Journal of organic chemistry","2014","79","21","10296","10302","10.1021/jo501914w","","","0.71073","MoKα","","0.1072","0.0544","","","0.0904","0.1041","","","","","","0.838","","","","has coordinates","243449","2020-10-21","18:00:00",""
"4038151","56.287","0.011","11.896","0.002","16.142","0.003","90","","90","","90","","10809","3","113","2","113.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C29 H26 F N O5 S -","- C29 H26 F N O5 S -","- C464 H416 F16 N16 O80 S16 -","16","1","","Qu, Yi; Xu, Wentao; Zhang, Jingjing; Liu, Yuxiu; Li, Yongqiang; Song, Hongjian; Wang, Qingmin","Visible-Light-Mediated [2+2+1] Carbocyclization Reactions of 1,7-Enynes with Bromofluoroacetate to Form Fused Monofluorinated Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00087","","","0.71073","MoKα","","0.0684","0.0627","","","0.1691","0.1757","","","","","","1.069","","","","has coordinates","249886","2020-10-21","18:00:00",""
"4038548","64.915","0.003","22.4355","0.0012","16.2049","0.0008","90","","90","","90","","23601","2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C21 H27 Cl O4 -","- C21 H27 Cl O4 -","- C1008 H1296 Cl48 O192 -","48","3","","Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.","Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.","The Journal of organic chemistry","2020","85","14","8952","8989","10.1021/acs.joc.0c00891","","","1.54184","CuKα","","0.0952","0.0641","","","0.1602","0.1814","","","","","","1.041","","","","has coordinates","254780","2020-10-21","18:00:00",""
"4038752","25.037","0.004","26.193","0.004","7.1427","0.0012","90","","90","","90","","4684.1","1.3","296","2","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C208 H208 N16 O64 -","16","1","","Zhang, Sheng; Li, He; Yamamoto, Yoshinori; Bao, Ming","Synthesis of 1H-Indole-2,3-dicarboxylates via Rhodium-catalyzed C-H Annulation of Arylhydrazines with Maleates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01727","","","0.71073","MoKα","","0.0603","0.0443","","","0.0924","0.0998","","","","","","1.034","","","","has coordinates","256367","2020-10-21","18:00:00",""
"4038754","19.2656","0.0016","33.47","0.003","7.2379","0.0006","90","","90","","90","","4667.1","0.7","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C208 H144 F16 N32 O32 S16 -","16","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.0455","0.0363","","","0.0835","0.0876","","","","","","1.06","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038958","55.6158","0.0017","15.6656","0.0005","8.4689","0.0004","90","","90","","90","","7378.6","0.5","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C43 H28 Cl3 N4 O2 -","- C43 H28 Cl3 N4 O2 -","- C344 H224 Cl24 N32 O16 -","8","0.5","","Vasin, V.A.; Popkova, Yu.A.; Bezrukova, E.V.; Razin, V.V.; Somov, N.V.","Cycloadducts of Phenylethynyl Trifluoromethyl Sulfone with Diphenyldiazomethane and 9-Diazofluorene and Their Transformations under Conditions of Van AlphenHttel Rearrangement","Russian Journal of Organic Chemistry","2017","53","3","393","397","10.1134/S1070428017030137","","x-ray","0.71073","MoKα","","0.0937","0.072","","","0.1641","0.1759","","","","","","1.08","","","","has coordinates","269574","2021-10-05","10:03:09",""
"4038995","20.2505","0.001","33.1064","0.0015","5.3773","0.0003","90","","90","","90","","3605.1","0.3","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C128 H64 N128 -","16","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0404","0.0367","","","0.0908","0.0934","","","","","","1.062","","","","has coordinates,has Fobs","275609","2022-05-22","12:40:24",""
"4060618","30.3999","0.001","31.8427","0.0009","10.0134","0.0003","90","","90","","90","","9693.1","0.5","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","","6","F d d 2","F 2 -2d","43","","","","- C23 H26 F6 N3 P Pd -","- C23 H26 F6 N3 P Pd -","- C368 H416 F96 N48 P16 Pd16 -","16","1","","","","Organometallics","2006","","","","","10.1021/om050775m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061328","31.3052","0.0007","39.2724","0.0009","8.9197","0.0002","90","","90","","90","","10966.1","0.4","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H41 O Rh -","- C32 H41 O Rh -","- C512 H656 O16 Rh16 -","16","1","","Daugulis, Olafs; Brookhart, Maurice","Decarbonylation of Aryl Ketones Mediated by Bulky Cyclopentadienylrhodium Bis(ethylene) Complexes","Organometallics","2004","23","3","527","534","10.1021/om030563u","","","","","","","0.033","","","0.032","","","","","","","","","","","has coordinates","209909","2020-10-21","18:00:00",""
"4062160","20.7761","0.001","42.558","0.002","8.3874","0.0004","90","","90","","90","","7416.1","0.6","97","2","97","2","","","","","","","","4","F d d 2","F 2 -2d","43","(2,6-Mes2C6H3)2GaH0.70O0.30","","","- C48 H51 Ga O0.3 -","- C48 H51 Ga O0.3 -","- C384 H408 Ga8 O2.4 -","8","0.5","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062500","17.814","0.004","20.59","0.004","13.184","0.003","90","","90","","90","","4835.7","1.7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H13 F14 Hg N3 -","- C21 H13 F14 Hg N3 -","- C168 H104 F112 Hg8 N24 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om030408f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062687","20.6673","0.0009","36.7765","0.0015","11.0869","0.0004","90","","90","","90","","8426.8","0.6","114","2","114","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H70 N P2 Re Si4 -","- C32 H70 N P2 Re Si4 -","- C256 H560 N8 P16 Re8 Si32 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049424i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062948","43.515","0.008","6.2634","0.0012","11.651","0.003","90","0.001","90","0.001","90","0.001","3175.6","1.1","163","2","163","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063107","18.5222","0.0008","32.877","0.002","9.9178","0.0004","90","","90","","90","","6039.5","0.5","298","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 Cl N P2 Pd -","- C36 H28 Cl N P2 Pd -","- C288 H224 Cl8 N8 P16 Pd8 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049888g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063242","38.434","0.002","48.007","0.003","12.708","0.0007","90","","90","","90","","23448","2","150","2","150","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C65.8 H58.6 B Br Cl3.6 N4 P Pd -","- C65.801 H58.602 B Br Cl3.602 N4 P Pd -","- C1052.82 H937.632 B16 Br16 Cl57.632 N64 P16 Pd16 -","16","1","","Murray V. Baker; David H. Brown; Valerie J. Hesler; Brian W. Skelton; Allan H. White","Synthesis of a Bis(N-heterocyclic carbene)palladium Complex via Oxidative Addition of a C-C Bond in a Biimidazolium Ion","Organometallics","2007","26","","250","252","10.1021/om0610546","","","0.71073","MoKα","","0.0499","0.0367","","","0.084","0.0905","","","","","","1.05","","","","has coordinates","201913","2020-10-21","18:00:00",""
"4063295","25.9712","0.0013","27.1377","0.0012","17.1272","0.0009","90","","90","","90","","12071.2","1","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H33 Mo O4 P S2 W -","- C29 H33 Mo O4 P S2 W -","- C464 H528 Mo16 O64 P16 S32 W16 -","16","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S‒S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.0456","0.037","","","0.0919","0.1215","","","","","","1.393","","","","has coordinates","209984","2020-10-21","18:00:00",""
"4063575","20.557","0.003","23.076","0.003","14.575","0.002","90","","90","","90","","6914","1.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H22 B2 Cl O Y -","- C16 H22 B2 Cl O Y -","- C256 H352 B32 Cl16 O16 Y16 -","16","1","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.0718","0.0529","","","0.1122","0.117","","","","","","1.009","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063749","26.6043","0.0006","29.9393","0.0006","9.1116","0.0002","90","","90","","90","","7257.5","0.3","103","2","103","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H29 N O2 W -","- C18 H29 N O2 W -","- C288 H464 N16 O32 W16 -","16","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0164","0.0147","","","0.0335","0.034","","","","","","1.032","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4064352","15.445","0.003","48.049","0.01","9.0603","0.0018","90","","90","","90","","6724","2","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H47 Cl2 Co N3 -","- C37 H47 Cl2 Co N3 -","- C296 H376 Cl16 Co8 N24 -","8","0.5","","Appukuttan, Vinu Krishnan; Liu, Yinshan; Son, Bong Chul; Ha, Chang-Sik; Suh, Hongsuk; Kim, Il","Iron and Cobalt Complexes of 2,3,7,8-Tetrahydroacridine-4,5(1H,6H)-diimine Sterically Modulated by Substituted Aryl Rings for the Selective Oligomerization to Polymerization of Ethylene","Organometallics","2011","30","8","2285","","10.1021/om2000629","","","0.71073","MoKα","","0.1047","0.0499","","","0.0947","0.1394","","","","","","1.044","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064647","52.948","0.016","12.536","0.004","8.677","0.003","90","","90","","90","","5759","3","90","","90","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C36 H38 Zr -","- C36 H38 Zr -","- C288 H304 Zr8 -","8","0.5","","Suzuki, Noriyuki; Ohara, Nozomu; Nishimura, Kosuke; Sakaguchi, Yoshio; Nanbu, Shinkoh; Fukui, Sohei; Nagao, Hirotaka; Masuyama, Yoshiro","Characterization of theEIsomer of Tetrasubstituted [5]Cumulene and Trapping of theZIsomer as a Zirconocene Complex","Organometallics","2011","30","13","3544","","10.1021/om2002427","","","0.7107","MoKα","","","0.0536","","","","0.1376","","","","","","1.042","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064770","20.497","0.006","26.472","0.007","14.723","0.004","90","","90","","90","","7989","4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C44 H56 Mg N4 -","- C44 H56 Mg N4 -","- C352 H448 Mg8 N32 -","8","0.5","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.082","0.0429","","","0.0971","0.1132","","","","","","1.021","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064817","29.216","0.003","30.589","0.003","10.1233","0.0011","90","","90","","90","","9047.1","1.6","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","Pt(dippe)(COMe=CH-CH=CH-S)","","","- C19 H38 O P2 Pt S -","- C19 H38 O P2 Pt S -","- C304 H608 O16 P32 Pt16 S16 -","16","1","","Ateşin, Tülay A.; Kundu, Sabuj; Skugrud, Karlyn; Lai, Katherine A.; Swartz, Brett D.; Li, Ting; Brennessel, William W.; Jones, William D.","Predicting Selectivity in Oxidative Addition of C‒S Bonds of Substituted Thiophenes to a Platinum(0) Fragment: An Experimental and Theoretical Study","Organometallics","2011","30","17","4578","","10.1021/om200352d","","","0.71073","MoKα","","0.0898","0.0519","","","0.0938","0.1061","","","","","","1.001","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4065011","16.51","0.006","24.278","0.009","13.791","0.005","90","","90","","90","","5528","4","213","2","213","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H39 Cl3 Cr N S2 Si2 -","- C18 H39 Cl3 Cr N S2 Si2 -","- C144 H312 Cl24 Cr8 N8 S16 Si16 -","8","0.5","","Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert","Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System","Organometallics","2011","30","17","4655","","10.1021/om200505a","","","0.71073","MoKα","","0.0683","0.0532","","","0.1191","0.1252","","","","","","1.044","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065083","22.1144","0.0016","56.875","0.004","10.8177","0.0007","90","","90","","90","","13606","1.6","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H39 Au2 N2 P -","- C37 H39 Au2 N2 P -","- C592 H624 Au32 N32 P16 -","16","1","","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, John P.","Novel Mixed Coordination of N and C Donors to Gold‒Gold Centers","Organometallics","2011","30","20","5374","","10.1021/om200556x","","","0.71073","MoKα","","0.0524","0.0502","","","0.1151","0.1161","","","","","","1.1","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065113","33.3804","0.0008","40.8995","0.0009","9.9755","0.0004","90","","90","","90","","13619","0.7","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C35.5 H11 B Cl F20 P -","- C35.5 H11 B Cl F20 P -","- C568 H176 B16 Cl16 F320 P16 -","16","1","","Rosorius, Christoph; Kehr, Gerald; Fröhlich, Roland; Grimme, Stefan; Erker, Gerhard","Electronic Control of Frustrated Lewis Pair Behavior: Chemistry of a Geminal Alkylidene-Bridged Per-pentafluorophenylated P/B Pair","Organometallics","2011","30","15","4211","","10.1021/om200569k","","","1.54178","CuKα","","0.0392","0.0374","","","0.0922","0.094","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065143","16.058","0.003","45.201","0.007","5.7359","0.0009","90","","90","","90","","4163.3","1.2","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H26 O2 Zn -","- C24 H26 O2 Zn -","- C192 H208 O16 Zn8 -","8","0.5","","Wilson, Erin E.; Oliver, Allen G.; Hughes, Russell P.; Ashfeld, Brandon L.","Synthesis of Phosphine-Ligated Zinc Acetylide Dimers: Enhanced Reactivity in Carbonyl Additions","Organometallics","2011","30","19","5214","","10.1021/om200581f","","","0.71073","MoKα","","0.04","0.0297","","","0.0647","0.0683","","","","","","1.036","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065857","26.6478","0.0004","43.3956","0.0006","9.4129","0.0001","90","","90","","90","","10885.1","0.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","1514 [FeCl2(PNP-iPr)].(CH3CN)x","(N,N'-bis(di-isopropylphosphino)-2,6-diaminopyridine)- dichloro-iron(II) acetonitrile solvate","","- C17 H33 Cl2 Fe N3 P2 -","- C17 H33 Cl2 Fe N3 P2 -","- C272 H528 Cl32 Fe16 N48 P32 -","16","1","","Benito-Garagorri, David; Alves, Luis Gonçalo; Veiros, Luis F.; Standfest-Hauser, Christina M.; Tanaka, Shinji; Mereiter, Kurt; Kirchner, Karl","Kinetically Controlled Formation of Octahedraltrans-Dicarbonyl Iron(II) PNP Pincer Complexes: The Decisive Role of Spin-State Changes§","Organometallics","2010","29","21","4932","","10.1021/om1001638","","","0.71073","MoKα","","0.0388","0.0337","","","0.0821","0.084","","","","","","1.071","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4066451","34.251","0.008","43.849","0.009","8.9793","0.0018","90","","90","","90","","13486","5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H57 N4 O0.5 Zr -","- C34 H57 N4 O0.5 Zr -","- C544 H912 N64 O8 Zr16 -","16","1","","Munhá, Rui F.; Antunes, M. Augusta; Alves, Luis G.; Veiros, Luis F.; Fryzuk, Michael D.; Martins, Ana M.","Structure and Reactivity of Neutral and Cationictrans-N,N′-Dibenzylcyclam Zirconium Alkyl Complexes","Organometallics","2010","29","17","3753","","10.1021/om100465d","","","0.71069","MoKα","","0.0791","0.0507","","","0.1057","0.1165","","","","","","0.995","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4066605","13.91","0.004","40.474","0.01","8.675","0.002","90","","90","","90","","4884","2","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H30 Cr2 F6 O3 -","- C22 H30 Cr2 F6 O3 -","- C176 H240 Cr16 F48 O24 -","8","0.5","","Huang, Hui; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis and X-ray Structure of a Diamagnetic Oxo-Bridged Trifluoromethyl−Chromium(V) Complex: Structural and Computational Comparisons between CF3and CH3Ligands in Two Different Oxidation States of Chromium","Organometallics","2010","29","16","3672","","10.1021/om100543t","","","0.71073","MoKα","","0.0417","0.0386","","","0.0932","0.0952","","","","","","1.042","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4067366","32.674","0.004","55.01","0.006","8.6148","0.001","90","","90","","90","","15484","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H12 Fe6 O18 S5 -","- C24 H12 Fe6 O18 S5 -","- C384 H192 Fe96 O288 S80 -","16","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Liu, Chun-Rong; Hu, Qing-Mei","Two Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Formed from Trithiol MeC(CH2SH)3, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles to Produce the Corresponding Neutral Triple- and Double-Butterfly Cluster Complexes","Organometallics","2010","29","1","205","","10.1021/om900899h","","","0.71073","MoKα","","0.0599","0.035","","","0.0622","0.0758","","","","","","1.025","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4068558","25.3729","0.0003","30.2083","0.0007","9.914","0.0007","90","","90","","90","","7598.8","0.6","150","1","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H42 B2 F8 N6 Rh2 -","- C38 H42 B2 F8 N6 Rh2 -","- C304 H336 B16 F64 N48 Rh16 -","8","0.5","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Synthesis and Characterization of Nitrile-Functionalized N-Heterocyclic Carbenes and Their Complexes of Silver(I) and Rhodium(I)","Organometallics","2009","28","3","853","","10.1021/om8009377","","","0.71073","MoKα","","0.059","0.0398","","","0.0826","0.0922","","","","","","1.081","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4069304","36.975","0.005","38.152","0.005","8.7385","0.0011","90","","90","","90","","12327","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C31 H50 N2 Si Zr -","- C31 H50 N2 Si Zr -","- C496 H800 N32 Si16 Zr16 -","16","1","","Epshteyn, Albert; Trunkely, Emily F.; Kissounko, Denis A.; Fettinger, James C.; Sita, Lawrence R.","Experimental Modeling of Selective Alkene Oligomerization: Evidence for Facile Metallacyclopentane Dehydrogenation Mediated by a Transannular β-Hydrogen Agostic Interaction","Organometallics","2009","28","8","2520","","10.1021/om900132u","","","0.71073","MoKα","","0.0356","0.0325","","","0.0832","0.0862","","","","","","1.047","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069423","24.7532","0.0012","94.361","0.005","11.0667","0.0005","90","","90","","90","","25849","2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C58 H78 Br2 N6 O2 Pt2 -","- C58 H78 Br2 N6 O2 Pt2 -","- C928 H1248 Br32 N96 O32 Pt32 -","16","1","","Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.","Binuclear Platinum(IV) Complexes with Bridging Amidoalkyl Groups and Their Self-Assembly through Hydrogen Bonding","Organometallics","2009","28","13","3734","","10.1021/om9001878","","","0.71073","MoKα","","0.1573","0.0669","","","0.1428","0.1641","","","","","","0.884","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4070422","27.593","0.006","14.179","0.003","23.793","0.005","90","","90","","90","","9309","3","150","","150","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H50 Cl4 In2 -","- C48 H50 Cl4 In2 -","- C384 H400 Cl32 In16 -","8","0.5","","Ahmad, S. Usman; Beckmann, Jens","Synthesis and Structure of Polynuclear Indoxanes and Thalloxanes Containing Bulkym-Terphenyl Substituents","Organometallics","2009","28","24","6893","","10.1021/om9007967","","","0.71073","MoKα","","0.0698","0.0543","","","0.132","0.1389","","","","","","1.033","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070553","21.415","0.009","33.894","0.014","9.776","0.004","90","","90","","90","","7096","5","110","2","110","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H60 Fe Li N2 Sc Si2 -","- C32 H60 Fe Li N2 Sc Si2 -","- C256 H480 Fe8 Li8 N16 Sc8 Si16 -","8","0.5","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0697","0.0656","","","0.146","0.1478","","","","","","1.184","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070981","48.6971","0.0012","21.1349","0.0006","15.3763","0.0005","90","","90","","90","","15825.4","0.8","110","2","110","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C33 H42 Cl6 N2 Ru S -","- C33 H42 Cl6 N2 Ru S -","- C528 H672 Cl96 N32 Ru16 S16 -","16","1","","Ben-Asuly, Amos; Tzur, Eyal; Diesendruck, Charles E.; Sigalov, Mark; Goldberg, Israel; Lemcoff, N. Gabriel","A Thermally Switchable Latent Ruthenium Olefin Metathesis Catalyst","Organometallics","2008","27","5","811","","10.1021/om701180z","","","0.71073","MoKα","","0.1073","0.0662","","","0.1583","0.1838","","","","","","0.98","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4071182","25.338","0.005","28.695","0.006","11.152","0.002","90","","90","","90","","8108","3","198","2","198","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H15.5 B2 F8 N8.5 Pd -","- C11 H14 B2 F8 N8.5 Pd -","- C176 H224 B32 F128 N136 Pd16 -","16","1","","Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H.","A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium","Organometallics","2008","27","9","2128","","10.1021/om800021c","","","0.71073","MoKα","","0.0573","0.0409","","","0.0914","0.0984","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071281","15.3632","0.0015","41.914","0.0009","8.552","0.0009","90","","90","","90","","5506.9","0.8","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C32 H40 N2 -","- C32 H40 N2 -","- C256 H320 N16 -","8","0.5","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.0973","0.0848","","","0.1899","0.1981","","","","","","1.065","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4072651","22.4","0.005","27.229","0.005","15.047","0.003","90","","90","","90","","9178","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H38 Cl2 P2 Pt -","- C18 H38 Cl2 P2 Pt -","- C288 H608 Cl32 P32 Pt16 -","16","1","","Baber, R. Angharad; Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Haynes, Anthony; Williams, Gary L.; Papp, Rainer","Ligand Stereoelectronic Effects in Complexes of Phospholanes, Phosphinanes, and Phosphepanes and Their Implications for Hydroformylation Catalysis","Organometallics","2007","26","3","713","","10.1021/om060912v","","","0.71073","MoKα","","0.0407","0.0261","","","0.0462","0.0506","","","","","","0.899","","","","has coordinates,has disorder","178615","2020-10-21","18:00:00",""
"4072775","13.5359","0.0008","22.616","0.002","9.1929","0.0008","90","","90","","90","","2814.2","0.4","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H20 Ca O2 -","- C14 H20 Ca O2 -","- C112 H160 Ca8 O16 -","8","0.5","","Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias","Heteroleptic Phenylcalcium Derivatives via Metathesis Reactions of PhCa(thf)4I with Potassium Compounds","Organometallics","2007","26","4","1077","","10.1021/om061021q","","","0.71073","MoKα","","0.0502","0.0461","","","0.1215","0.1246","","","","","","1.061","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4073143","29.085","0.006","31.861","0.006","14.885","0.003","90","","90","","90","","13794","5","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H33 Bi N2 O10 -","- C37 H33 Bi N2 O10 -","- C592 H528 Bi16 N32 O160 -","16","1","","Stavila, Vitalie; Fettinger, James C.; Whitmire, Kenton H.","Synthesis and Characterization of New Phenylbis(salicylato)bismuth(III) Complexes","Organometallics","2007","26","14","3321","","10.1021/om070115c","","","0.71073","MoKα","","0.0569","0.0311","","","0.061","0.071","","","","","","1.031","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073420","33.605","0.002","41.64","0.003","13.5465","0.0006","90","","90","","90","","18956","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C45 H78 N4 O1.5 U -","- C45 H78 N4 O1.5 U -","- C720 H1248 N64 O24 U16 -","16","1","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Bent and Linear Uranium(IV) Metallocenes with Terminal and Bridging Cyanide Ligands","Organometallics","2007","26","18","4585","4591","10.1021/om7003173","","","0.71073","MoKα","","0.0456","0.034","","","0.0708","0.0735","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073528","15.543","0.001","23.253","0.002","9.9437","0.0007","90","","90","","90","","3593.9","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H26 Fe N2 P2 -","- C18 H26 Fe N2 P2 -","- C144 H208 Fe8 N16 P16 -","8","0.5","","Balakrishna, Maravanji S.; Mague, Joel T.","Synthesis and Molecular Structure of 1,3-Di-tert-butyl-2,4-bis(cyclodipentadienyl)iron(II) 1,3,2,4-Diazadiphosphetidine, [Fe(η5-C5H4)2(PNtBu)2]","Organometallics","2007","26","18","4677","","10.1021/om700423h","","","0.71073","MoKα","","0.0209","0.0208","","","0.0531","0.0532","","","","","","1.089","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4075200","22.1371","0.0005","13.9116","0.0001","16.2626","0.0004","90","","90","","90","","5008.27","0.17","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H30 K2 O -","- C30 H30 K2 O -","- C240 H240 K16 O8 -","8","0.5","","Schumann, Herbert; Freckmann, Dominique M. M.; Dechert, Sebastian","Organometallic Compounds of the Lanthanides. 179.1Synthesis and Structural Characterization of a Mixed Alkyl (Benzhydryl, Trimethylsilylmethyl) Lutetium Complex","Organometallics","2006","25","10","2696","","10.1021/om0601201","","","0.71073","MoKα","","0.1104","0.0635","","","0.0989","0.1122","","","","","","1.083","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075307","33.105","0.006","40.435","0.007","17.226","0.003","90","","90","","90","","23059","7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H78 B21 Er2 Na O4 -","- C45 H74 B21 Er2 Na O4 -","- C720 H1184 B336 Er32 Na16 O64 -","16","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1297","0.0673","","","0.1531","0.2014","","","","","","1.044","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075571","23.778","0.005","6.7756","0.0015","12.024","0.003","90","","90","","90","","1937.2","0.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Pentacarbonyldichloroborylmanganese","","","- C5 B Cl2 Mn O5 -","- C5 B Cl2 Mn O5 -","- C40 B8 Cl16 Mn8 O40 -","8","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0267","0.0263","","","0.0645","0.0646","","","","","","1.249","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075786","20","0.003","32.881","0.005","9.795","0.001","90","","90","","90","","6441.4","1.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H40 Si2 Sn -","- C34 H40 Si2 Sn -","- C272 H320 Si16 Sn8 -","8","0.5","","Nemes, Gabriela Cretiu; Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Escudié, Jean; Ranaivonjatovo, Henri; Molloy, Kieran C.; Mahon, Mary F.; Zukerman-Schpector, Julio","Difluorenylsilanes, -germanes, and -stannanes Exhibiting an Unprecedented Parallel Arrangement of the Fluorene Units","Organometallics","2005","24","6","1134","","10.1021/om049543y","","","0.71069","MoKα","","0.025","0.021","","0.0535","0.0521","","","","1.034","1.066","1.066","","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4076245","30.03","0.03","45.54","0.05","12.788","0.011","90","","90","","90","","17488","3","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C96 H106 K2 O10 Si4 -","- C96 H106 K2 O10 Si4 -","- C768 H848 K16 O80 Si32 -","8","0.5","","Pietschnig, Rudolf; Merz, Klaus","Selective Formation of Functionalized Disiloxanes from Terphenylfluorosilanes","Organometallics","2004","23","6","1373","","10.1021/om034193l","","","0.71073","MoKα","","0.0828","0.0514","","","0.1239","0.1424","","","","","","1.059","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076478","11.2248","0.0005","32.4746","0.0018","11.1989","0.0005","90","","90","","90","","4082.2","0.3","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H22 N2 O2 Se -","- C21 H22 N2 O2 Se -","- C168 H176 N16 O16 Se8 -","8","0.5","","Braun, Markus; Frank, Walter; Ganter, Christian","Reactivity of an Oxalamide-Based N-Heterocyclic Carbene","Organometallics","2012","31","5","1927","","10.1021/om201235c","","","0.71073","MoKα","","0.0367","0.0296","","","0.0632","0.0645","","","","","","1.048","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076738","53.943","0.0003","10.337","0.0003","15.761","0.0006","90","","90","0.002","90","","8788.5","0.4","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H34 B2 O4 -","- C22 H34 B2 O4 -","- C352 H544 B32 O64 -","16","1","","Abu Ali, Hijazi; Goldberg, Israel; Kaufmann, Dieter; Burmeister, Christian; Srebnik, Morris","Novel C1-Bridged Bisboronate Derivatives by Insertion of Diazoalkanes into Bis(pinacolato)diborane(4)⊥","Organometallics","2002","21","9","1870","","10.1021/om011012b","","","0.7107","MoKα","","0.0477","0.0393","","","0.0939","0.0982","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076996","30.842","0.002","40.265","0.003","13.288","0.001","90","","90","","90","","16502","2","143","2","143","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C44 H40 F3 N5 O3 Pd S -","- C44 H40 F3 N5 O3 Pd S -","- C704 H640 F48 N80 O48 Pd16 S16 -","16","1","","Vicente, José; Abad, José-Antonio; Martínez-Viviente, Eloísa; Jones, Peter G.","Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand","Organometallics","2002","21","21","4454","","10.1021/om020380s","","","0.71073","MoKα","","0.0351","0.0276","","","0.0582","0.0605","","","","","","0.988","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00",""
"4077436","48.766","0.01","55.356","0.011","10.054","0.002","90","","90","","90","","27141","9","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C98 H22 N O11 Os5 P -","- C98 H22 N O11 Os5 P -","- C1568 H352 N16 O176 Os80 P16 -","16","1","","Lee, Kwangyeol; Choi, Zel-Ho; Cho, Youn-Jaung; Song, Hyunjoon; Park, Joon T.","Reversible Interconversion between μ,η2:η2- and μ3,η2:η2:η2-C60on a Carbido Pentaosmium Cluster Framework","Organometallics","2001","20","26","5564","","10.1021/om010695s","","","0.71073","MoKα","","0.0943","0.0738","","0.1913","0.176","","","","1.176","1.219","1.219","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077489","16.319","0.003","49.65","0.01","7.487","0.001","90","","90","","90","","6066.3","1.8","183","2","183","2","","","","","","","synthesis","3","F d d 2","F 2 -2d","43","","","","- C34 H44 N2 -","- C34 H44 N2 -","- C272 H352 N16 -","8","0.5","","Nückel, Stefan; Burger, Peter","Transition Metal Complexes with Sterically Demanding Ligands. 2.1Meisenheimer Complex Formation and Deprotonation Reactions of a Sterically Demanding Aromatic Diimine†","Organometallics","2000","19","17","3305","","10.1021/om000084k","","","0.71073","MoKα","","0.0941","0.0499","","0.0909","0.0823","","","","0.992","1.241","1.241","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077858","36.723","0.017","68.84","0.03","11.415","0.005","90","","90","","90","","28857","2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C84 H74 F6 N3 P5 Ru2 -","- C84 H74 F6 N3 P5 Ru2 -","- C1344 H1184 F96 N48 P80 Ru32 -","16","1","","Bruce, Michael I.; Fox, Mark A.; Low, Paul J.; Nicholson, Brian K.; Parker, Christian R.; Patalinghug, Wyona C.; Skelton, Brian W.; White, Allan H.","Substitution of Tetracyanoethene by Ethynyl‒Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal‒Ligand Fragments","Organometallics","2012","31","7","2639","","10.1021/om2007503","","","0.71073","MoKα","","0.1113","0.062","","","0.1321","0.1575","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4078253","36.8474","0.001","70.458","0.002","11.8778","0.0004","90","","90","","90","","30837.1","1.6","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H46 Cl2 N2 O2 Ru -","- C38 H46 Cl2 N2 O2 Ru -","- C1216 H1472 Cl64 N64 O64 Ru32 -","32","2","","Grudzień, Krzysztof; Malinska, Maura; Barbasiewicz, Michał","Synthesis and Properties of Bimetallic Hoveyda‒Grubbs Metathesis Catalysts","Organometallics","2012","31","9","3636","","10.1021/om3001372","","","0.71073","MoKα","","0.0388","0.0343","","","0.0793","0.0814","","","","","","1.047","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078370","30.346","0.005","47.526","0.009","12.009","0.002","90","","90","","90","","17320","5","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H44 Au3 F15 N2 O0.5 S -","- C36 H40 Au3 F15 N2 O0.5 S -","- C576 H640 Au48 F240 N32 O8 S16 -","16","1","","Vicente, José; Chicote, María-Teresa; González-Herrero, Pablo; Grünwald, Claus; Jones, Peter G.","Complexes with S-Donor Ligands. 5.†Syntheses of the First (Hydrosulfido)- and Anionic Sulfidoorganogold(I) Complexes. Crystal and Molecular Structure of (Et4N)2[{Au(C6F5)}3(μ3-S)]·0.5MeC(O)Et","Organometallics","1997","16","15","3381","","10.1021/om970106b","","","0.71073","MoKα","","0.0662","0.0411","","0.0806","0.0751","","","","0.858","0.946","0.946","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078563","29.039","0.008","29.62","0.008","8.106","0.002","90","","90","","90","","6972","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H19 B10 Cl Fe -","- C12 H19 B10 Cl Fe -","- C192 H304 B160 Cl16 Fe16 -","16","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0395","0.038","","","0.0997","0.1015","","","","","","1.056","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078709","26.689","0.015","53.49","0.03","8.506","0.005","90","","90","","90","","12143","12","393","","393","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C23 H42 Cl F6 N3 Ni P Rh S2 -","- C23 H42 Cl F6 N3 Ni P Rh S2 -","- C368 H672 Cl16 F96 N48 Ni16 P16 Rh16 S32 -","16","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.0558","","","","0.1476","","","","","","1.096","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4079159","22.685","0.005","38.486","0.006","8.1013","0.0013","90","","90","","90","","7073","2","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H46 B N4 Y -","- C38 H46 B N4 Y -","- C304 H368 B8 N32 Y8 -","8","0.5","","Shen, Xiaodong; Xue, Mingqiang; Jiao, Rui; Ma, Yong; Zhang, Yong; Shen, Qi","Bis(β-diketiminate) Rare-Earth-Metal Borohydrides: Syntheses, Structures, and Catalysis for the Polymerizations ofl-Lactide, ε-Caprolactone, and Methyl Methacrylate","Organometallics","2012","31","17","6222","","10.1021/om3005299","","","0.71075","MoKα","","0.0698","0.0466","","","0.0664","0.075","","","","","","0.914","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079174","21.6031","0.0011","23.3502","0.0011","19.875","0.001","90","","90","","90","","10025.7","0.9","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C46 H40 Cl4 Cu2 F12 N8 P2 -","- C46 H40 Cl4 Cu2 F12 N8 P2 -","- C368 H320 Cl32 Cu16 F96 N64 P16 -","8","0.5","","Gierz, Verena; Seyboldt, Alexander; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Speidel, Michael T.; Speiser, Bernd; Eichele, Klaus; Kunz, Doris","Dinuclear Coinage-Metal Complexes of Bis(NHC) Ligands: Structural Features and Dynamic Behavior of a Cu‒Cu Complex","Organometallics","2012","31","22","7893","","10.1021/om300544g","","","0.71073","MoKα","","0.0328","0.0295","","","0.0716","0.0744","","","","","","1.04","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079984","20.782","0.004","44.041","0.009","8.2142","0.0014","90","","90","","90","","7518","2","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H51 F Ge -","- C48 H51 F Ge -","- C384 H408 F8 Ge8 -","8","0.5","","Brown, Zachary D.; Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Facile, High-Yield Functionalization of Germanium and Tin by Oxidative Insertion of Tetrelenes into the E‒H Bonds of Inorganic Acids (E = C, N, O, F): Arene Elimination versus Oxidative Addition and Formation of a Germanium Cation‒Water Complex","Organometallics","2013","32","2","617","","10.1021/om301121x","","","0.71073","MoKα","","0.0388","0.0357","","","0.0865","0.0884","","","","","","1.039","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080372","28.1568","0.0011","40.7185","0.0018","11.4426","0.0004","90","","90","","90","","13119","0.9","150","0.02","150","0.02","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C33 H44 B N6 O U -","- C33 H44 B N6 O U -","- C528 H704 B16 N96 O16 U16 -","16","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Synthesis and Reactivity of Trivalent Tp*U(CH2Ph)2(THF): Insertion vs Oxidation at Low-Valent Uranium–Carbon Bonds","Organometallics","2013","32","5","1484","","10.1021/om301139h","","","0.71073","MO-Kα","","0.054","0.039","","","0.074","0.079","","","","","","1.05","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4080647","23.503","0.002","42.07","0.003","9.4155","0.0008","90","","90","","90","","9309.8","1.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H32 Ag Cl N4 O4 -","- C18 H32 Ag Cl N4 O4 -","- C288 H512 Ag16 Cl16 N64 O64 -","16","1","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0266","0.0214","","","0.0482","0.05","","","","","","1.02","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4081525","26.484","0.002","20.994","0.003","9.2353","0.0007","90","","90","","90","","5134.9","0.9","130","2","130","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H40 Fe N6 -","- C28 H40 Fe N6 -","- C224 H320 Fe8 N48 -","8","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0222","0.0209","","","0.0528","0.0531","","","","","","1.043","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081677","17.8056","0.0012","61.743","0.004","7.4649","0.0005","90","","90","","90","","8206.7","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C21 H26 B F4 N2 P -","- C21 H26 B F4 N2 P -","- C336 H416 B16 F64 N32 P16 -","16","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0537","0.0438","","","0.0942","0.0983","","","","","","1.051","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081701","23.9708","0.0017","58.339","0.004","5.9056","0.0004","90","","90","","90","","8258.6","1","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C448 H320 N32 -","16","1","","You, Xu; Yu, Shasha; Liu, Yuanhong","Reactions of Zirconocene Butadiyne or Monoyne Complexes with Nitriles: Straightfoward Synthesis of Functionalized Pyrimidines","Organometallics","2013","32","19","5273","","10.1021/om400880r","","","0.71073","MoKα","","0.0562","0.0484","","","0.1014","0.105","","","","","","1.135","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081737","20.708","0.003","22.603","0.003","10.6647","0.0012","90","","90","","90","","4991.8","1.1","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C7 H12 Cl4 N3 Ta -","- C7 H12 Cl4 N3 Ta -","- C112 H192 Cl64 N48 Ta16 -","16","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0581","0.0485","","","0.1085","0.1141","","","","","","1.061","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4083029","48.357","0.005","39.213","0.004","8.8404","0.0007","90","","90","","90","","16763","3","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H61 N3 O4 Si2 Sm -","- C36 H61 N3 O4 Si2 Sm -","- C576 H976 N48 O64 Si32 Sm16 -","16","1","","Jiang, Yinyin; Zhu, Xi; Chen, Muzi; Wang, Yaorong; Yao, Yingming; Wu, Bing; Shen, Qi","Synthesis and Structural Characterization of Mixed-Valent Ytterbium and Europium Complexes Supported by a Phenoxy(quinolinyl)amide Ligand","Organometallics","2014","33","8","1972","","10.1021/om5000198","","","0.71075","MoKα","","0.0534","0.0485","","","0.0821","0.0844","","","","","","1.135","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083102","39.272","0.014","28.384","0.009","36.443","0.012","90","","90","","90","","40623","2","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C45 H36 F24 O9 Si2 -","- C45 H36 F24 O9 Si2 -","- C1440 H1152 F768 O288 Si64 -","32","2","","Kano, Naokazu; Sasaki, Keishi; Miyake, Hideaki; Kawashima, Takayuki","Synthesis and Isolation of a Silylsilicate Containing Two Pentacoordinated Silicon Atoms by Monoprotonation of a Disilicate and Monodeprotonation of a Disilane","Organometallics","2014","33","9","2358","","10.1021/om500291k","","","0.7107","MoKα","","0.0968","0.0658","","","0.1464","0.166","","","","","","0.992","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4083562","18.509","0.001","42.721","0.003","9.4765","0.0006","90","","90","","90","","7493.3","0.8","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","Moris-315 (Naveen)","","","- C19 H30 N2 -","- C19 H30 N2 -","- C304 H480 N32 -","16","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.1283","0.0941","","","0.2433","0.2607","","","","","","1.126","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083678","40.03","0.02","10.439","0.006","13.111","0.008","90","","90","","90","","5479","5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H30 N4 Yb2 -","- C30 H30 N4 Yb2 -","- C240 H240 N32 Yb16 -","8","0.5","","Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng","Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes","Organometallics","2007","26","8","1934","","10.1021/om061094+","","","0.71073","MoKα","","0.0598","0.0551","","","0.1343","0.1364","","","","","","1.027","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4084112","25.5241","0.001","28.4837","0.0011","11.1776","0.0004","90","","90","","90","","8126.3","0.5","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H16.5 B2 F8 N7.5 Pd -","- C12 H16.5 B2 F8 N7.5 Pd -","- C192 H264 B32 F128 N120 Pd16 -","16","1","","Schick, Sabrina; Pape, Tania; Hahn, F. Ekkehardt","Coordination Chemistry of Bidentate Bis(NHC) Ligands with Two Different NHC Donors","Organometallics","2014","33","15","4035","","10.1021/om500554t","","","0.71073","MoKα","","0.0274","0.0249","","","0.0587","0.0597","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084163","12.8221","0.0005","31.0744","0.0009","6.0751","0.0002","90","","90","","90","","2420.56","0.14","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H8 N2 O5 -","- C13 H8 N2 O5 -","- C104 H64 N16 O40 -","8","0.5","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.033","0.0321","","","0.0833","0.0843","","","","","","1.074","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4084535","31.034","0.009","11.104","0.003","13.296","0.004","90","","90","","90","","4582","2","123","","123","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H28 Fe N4 O2 Si2 -","- C20 H28 Fe N4 O2 Si2 -","- C160 H224 Fe8 N32 O16 Si16 -","8","0.5","","Sunada, Yusuke; Soejima, Hiroe; Nagashima, Hideo","Disilaferracycle Dicarbonyl Complex Containing Weakly Coordinated η2-(H-Si) Ligands: Application to C‒H Functionalization of Indoles and Arenes","Organometallics","2014","33","21","5936","","10.1021/om500794f","","","0.71075","MoKα","","","0.0521","","","","0.1136","","","","","","1.069","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084817","14.7352","0.0004","63.653","0.002","8.5369","0.0005","90","","90","","90","","8007.1","0.6","150","1","150","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C21 H24 Cl N O2 Sn -","- C21 H24 Cl N O2 Sn -","- C336 H384 Cl16 N16 O32 Sn16 -","16","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.0339","0.0305","","","0.0689","0.0707","","","","","","1.058","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4085238","33.936","0.005","39.39","0.006","10.4595","0.0014","90","","90","","90","","13982","4","193","2","193","2","","","","","","","synthesis as described","7","F d d 2","F 2 -2d","43","","","","- C31 H36 Cl2 Fe Ge N2 O4 -","- C31 H36 Cl2 Fe Ge N2 O4 -","- C496 H576 Cl32 Fe16 Ge16 N32 O64 -","16","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.1038","0.0414","","","0.0898","0.119","","","","","","0.598","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4086362","26.299","0.0019","57.306","0.004","9.0152","0.0007","90","","90","","90","","13586.7","1.7","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H57 Cl2 N O Os P2 -","- C30 H57 Cl2 N O Os P2 -","- C480 H912 Cl32 N16 O16 Os16 P32 -","16","1","","Casanova, Noelia; Esteruelas, Miguel A.; Gulías, Moisés; Larramona, Carmen; Mascareñas, José L; Oñate, Enrique","Amide-Directed Formation of Five-Coordinate Osmium Alkylidenes from Alkynes.","Organometallics","2016","35","2","91","99","10.1021/acs.organomet.5b00777","","","0.71073","MoKα","","0.047","0.0375","","","0.072","0.075","","","","","","1.05","","","","has coordinates","177429","2020-10-21","18:00:00",""
"4086437","20.1288","0.0018","40.611","0.003","9.8621","0.0008","90","","90","","90","","8061.8","1.1","103","3","103","3","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H29 N2 Rh -","- C24 H29 N2 Rh -","- C384 H464 N32 Rh16 -","16","1","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.0463","0.0367","","","0.0766","0.0798","","","","","","1.047","","","","has coordinates","182513","2020-10-21","18:00:00",""
"4086438","44.458","0.002","76.228","0.004","10.6621","0.0006","90","","90","","90","","36133","3","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C46.5 H48 N7 Na O3.5 W -","- C46.5 H48 N7 Na O3.5 W -","- C1488 H1536 N224 Na32 O112 W32 -","32","2","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.0576","0.0478","","","0.1143","0.1194","","","","","","1.051","","","","has coordinates,has disorder","286259","2023-09-07","06:00:40",""
"4086457","38.385","0.004","40.031","0.004","16.3398","0.0015","90","","90","","90","","25108","4","100","0.5","100","0.5","","","","","","","","7","F d d 2","F 2 -2d","43","unimc31","","","- C68 H82 F3 N4 O3 Ru2 S -","- C68 H82 F3 N4 O3 Ru2 S -","- C1088 H1312 F48 N64 O48 Ru32 S16 -","16","1","","Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.","Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes","Organometallics","2016","35","8","1079","","10.1021/acs.organomet.6b00067","","","0.71073","MoKα","","0.0818","0.0504","","","0.1014","0.1124","","","","","","0.989","","","","has coordinates,has disorder","182520","2020-10-21","18:00:00",""
"4086726","19.1093","0.0009","21.6601","0.001","8.1721","0.0004","90","","90","","90","","3382.5","0.3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C120 H248 B8 N16 -","8","0.5","","Huchenski, Blake S. N.; Adams, Matt R.; McDonald, Robert; Ferguson, Michael J.; Speed, Alexander W. H.","Synthesis and Catalytic Reactivity of Bis(amino)cyclopropenylidene Carbene‒Borane Adducts","Organometallics","2016","35","18","3101","","10.1021/acs.organomet.6b00654","","","1.54178","CuKα","","0.061","0.0528","","","0.1328","0.1381","","","","","","1.036","","","","has coordinates","186944","2020-10-21","18:00:00",""
"4086931","24.91","0.009","25.153","0.009","7.516","0.003","90","","90","","90","","4709","3","100","0.5","100","0.5","","","","","","","","6","F d d 2","F 2 -2d","43","sjfbk54","","","- C11 H11 F N2 O4 Si -","- C11 H11 F N2 O4 Si -","- C176 H176 F16 N32 O64 Si16 -","16","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0667","0.045","","","0.1006","0.1104","","","","","","1.042","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4087349","23.134","0.0009","54.087","0.002","7.316","0.0003","90","","90","","90","","9154.1","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H29 N4 S2 Ta -","- C23 H29 N4 S2 Ta -","- C368 H464 N64 S32 Ta16 -","16","1","","Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E.","Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes.","Organometallics","2012","31","","7492","7499","10.1021/om300789h","","","0.71073","MoKα","","0.0186","0.0174","","","0.0356","0.0358","","","","","","1.107","","","","has coordinates","201976","2020-10-21","18:00:00",""
"4087481","18.7608","0.0009","48.464","0.002","9.2144","0.0004","90","","90","","90","","8377.9","0.6","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Ferrocenylethindiyl-η^6^-benzene)(η^5^-cyclopentadienyl) ruthenium(II) hexafluoridophosphate","","- C23 H19 F6 Fe P Ru -","- C23 H19 F6 Fe P Ru -","- C368 H304 F96 Fe16 P16 Ru16 -","16","1","","Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen","Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds","Organometallics","2015","34","9","1692","","10.1021/acs.organomet.5b00160","","","0.71073","MoKα","","0.0296","0.0289","","","0.0678","0.068","","","","","","1.092","","","","has coordinates","236816","2020-10-21","18:00:00",""
"4087638","20.1203","0.0008","17.7202","0.0007","12.657","0.0005","90","","90","","90","","4512.7","0.3","110","","110","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H30 Fe2 N2 S -","- C28 H30 Fe2 N2 S -","- C224 H240 Fe16 N16 S8 -","8","0.5","","Speck, J. Matthäus; Korb, Marcus; Schade, Alexander; Spange, Stefan; Lang, Heinrich","Ferrocenes Bridged by Ethylenediamino Thiophene: Varying Charge Transfer Properties in a Series of 3,4-Di-N-substituted 2,5-Diferrocenyl Thiophenes","Organometallics","2015","34","15","3788","","10.1021/acs.organomet.5b00450","","","0.71073","MoKα","","0.0268","0.0253","","","0.0584","0.059","","","","","","1.079","","","","has coordinates","236894","2020-10-21","18:00:00",""
"4087640","19.8701","0.0005","17.2782","0.0005","12.7919","0.0004","90","","90","","90","","4391.7","0.2","110.1","0.14","110","0.14","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H28 Fe2 N2 S -","- C28 H28 Fe2 N2 S -","- C224 H224 Fe16 N16 S8 -","8","0.5","","Speck, J. Matthäus; Korb, Marcus; Schade, Alexander; Spange, Stefan; Lang, Heinrich","Ferrocenes Bridged by Ethylenediamino Thiophene: Varying Charge Transfer Properties in a Series of 3,4-Di-N-substituted 2,5-Diferrocenyl Thiophenes","Organometallics","2015","34","15","3788","","10.1021/acs.organomet.5b00450","","","0.71073","MoKα","","0.0239","0.0224","","","0.0494","0.0498","","","","","","1.063","","","","has coordinates","236894","2020-10-21","18:00:00",""
"4087928","22.83","0.005","36.134","0.007","8.81","0.0019","90","","90","","90","","7268","3","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H44 F4 N2 Ni2 P2 -","- C36 H44 F4 N2 Ni2 P2 -","- C288 H352 F32 N16 Ni16 P16 -","8","0.5","","Wang, Lin; Sun, Hongjian; Li, Xiaoyan","Imine Nitrogen Bridged Binuclear Nickel Complexes via N‒H Bond Activation: Synthesis, Characterization, Unexpected C,N-Coupling Reaction, and Their Catalytic Application in Hydrosilylation of Aldehydes","Organometallics","2015","34","20","5175","","10.1021/acs.organomet.5b00734","","","0.71073","MoKα","","0.1727","0.0745","","","0.092","0.1186","","","","","","0.941","","","","has coordinates","237131","2020-10-21","18:00:00",""
"4088145","20.8625","0.0008","44.3655","0.0016","8.2014","0.0003","90","","90","","90","","7591","0.5","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H52 Ge O -","- C48 H52 Ge O -","- C384 H416 Ge8 O8 -","8","0.5","","Erickson, Jeremy D.; Vasko, Petra; Riparetti, Ryan D.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different Reaction Pathways for Alkyl- and Aryl-Substituted Species","Organometallics","2015","34","24","5785","","10.1021/acs.organomet.5b00884","","","1.54178","CuKα","","0.032","0.031","","","0.0782","0.0788","","","","","","1.047","","","","has coordinates,has disorder","237314","2020-10-21","18:00:00",""
"4088718","14.814","0.008","28.203","0.014","10.351","0.005","90","","90","","90","","4325","4","90","2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H28 Zn -","- C25 H28 Zn -","- C200 H224 Zn8 -","8","0.5","","Erickson, Jeremy D.; Riparetti, Ryan D.; Fettinger, James C.; Power, Philip P.","Molecular Zinc Species with Ge‒Zn and Sn‒Zn Bonds: A Reversible Insertion of a Stannylene into a Zinc‒Carbon Bond","Organometallics","2016","35","12","2124","","10.1021/acs.organomet.6b00344","","","0.71073","MoKα","","0.0458","0.0357","","","0.0789","0.0857","","","","","","1.179","","","","has coordinates,has disorder","237784","2020-10-21","18:00:00",""
"4089114","39.9899","0.0003","21.8307","0.0002","9.3498","0.0001","90","","90","","90","","8162.45","0.13","150","2","150","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H58 Al2 N2 O2 -","- C40 H58 Al2 N2 O2 -","- C320 H464 Al16 N16 O16 -","8","0.5","","Kirk, Sarah M.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Zirconium vs Aluminum Salalen Initiators for the Production of Biopolymers","Organometallics","2016","35","22","3837","","10.1021/acs.organomet.6b00718","","x-ray","1.54184","CuKα","","0.0242","0.0242","","","0.066","0.066","","","","","","1.102","","","","has coordinates","237995","2020-10-21","18:00:00",""
"4089452","25.1573","0.0007","27.3236","0.0008","4.136","0.0001","90","","90","","90","","2843.04","0.13","103","2","103","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C5 H5 Au Cl O P -","- C5 H5 Au Cl O P -","- C80 H80 Au16 Cl16 O16 P16 -","16","1","","Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides","Organometallics","2013","32","12","3562","","10.1021/om400207y","","","0.71073","MoKα","","0.0236","0.0186","","","0.044","0.0651","","","","","","1.188","","","","has coordinates","243647","2020-10-21","18:00:00",""
"4089652","23.4801","0.0012","48.364","0.004","10.4193","0.0005","90","","90","","90","","11832.1","1.3","150.15","","150.15","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C50 H90 B2 K2 N6 P2 Si2 -","- C50 H90 B2 K2 N6 P2 Si2 -","- C400 H720 B16 K16 N48 P16 Si16 -","8","0.5","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.057","0.0502","","","0.1194","0.1245","","","","","","1.056","","","","has coordinates,has disorder","243713","2020-10-21","18:00:00",""
"4100025","17.75","0.002","41.914","0.005","7.9239","0.001","90","","90","","90","","5895.2","1.3","125","1","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H46 B2 N4 -","- C29 H46 B2 N4 -","- C232 H368 B16 N32 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050129e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100471","14.754","0.003","23.596","0.004","9.273","0.0017","90","","90","","90","","3228.2","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H13 Cl2 Fe2 N O11 -","- C6 Cl2 Fe2 N O11 -","- C48 Cl16 Fe16 N8 O88 -","8","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100602","43.733","0.005","26.579","0.003","39.339","0.004","90","","90","","90","","45726","8","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C41 H72 Cu5 N13 -","- C41 H72 Cu5 N13 -","- C1312 H2304 Cu160 N416 -","32","2","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100610","31.667","0.002","10.4902","0.0007","21.2886","0.0015","90","","90","","90","","7071.8","0.8","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Cl3 Cu6 N15 -","- C36 H24 Cl3 Cu6 N15 -","- C288 H192 Cl24 Cu48 N120 -","8","0.5","","Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming","Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties","Journal of the American Chemical Society","2005","","","","","10.1021/ja042222t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101180","18.344","0.007","45.211","0.011","14.761","0.007","90","","90","","90","","12242","8","105","","105","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H32 F3 N3 O3 Pt S -","- C29 H32 F3 N3 O3 Pt S -","- C464 H512 F48 N48 O48 Pt16 S16 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101187","35.04","0.006","39.364","0.005","11.877","0.002","90","","90","","90","","16382","4","123.2","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H43 Cu2 F12 N6 O2.5 P2 -","- C37 H39 Cu2 F12 N6 O2.5 P2 -","- C592 H624 Cu32 F192 N96 O40 P32 -","16","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101654","39.536","0.004","47.303","0.004","11.3457","0.001","90","","90","","90","","21218","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C57 H70 Fe N5 Si2 Y -","- C57 H70 Fe N5 Si2 Y -","- C912 H1120 Fe16 N80 Si32 Y16 -","16","1","","Miller, Kevin L.; Williams, Bryan N.; Benitez, Diego; Carver, Colin T.; Ogilby, Kevin R.; Tkatchouk, Ekaterina; Goddard, 3rd, William A.; Diaconescu, Paula L.","Dearomatization reactions of N-heterocycles mediated by group 3 complexes.","Journal of the American Chemical Society","2010","132","1","342","355","10.1021/ja908489p","","","0.71073","MoKα","","0.0961","0.0579","","","0.1185","0.1336","","","","","","1.001","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101852","61.18","0.02","28.994","0.01","30.362","0.01","90","","90","","90","","53858","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dr B. J. Coe","","- C152.25 H165.88 B4 N11.38 O5.38 Ru -","- C132 H122 B4 N8 O2 Ru -","- C2112 H1952 B64 N128 O32 Ru16 -","16","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.1476","0.0949","","","0.2268","0.2447","","","","","","0.861","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101876","47.7085","0.0002","81.9437","0.0004","10.5045","0.0001","90","","90","","90","","41066.4","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H32 Cl F12 N6 P2 Ru -","- C29 H32 Cl F12 N6 P2 Ru -","- C1392 H1536 Cl48 F576 N288 P96 Ru48 -","48","3","","Sipke H. Wadman; Remco W. A. Havenith; Martin Lutz; Anthony L. Spek; Gerard P. M. van Klink; Gerard van Koten","Selective para-Halogenation and Dimerization of N,C,N'-Arylruthenium(II) and -(III) 2,2':6',2''-Terpyridine Cations","Journal of the American Chemical Society","2010","132","","1914","1924","10.1021/ja9073276","","","0.71073","MoKα","","0.0422","0.0322","","","0.0676","0.0721","","","","","","1.034","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4102860","19.3","0.03","51.31","0.07","5.903","0.008","90","","90","","90","","5846","14","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C272 H256 N32 -","16","1","","Hao Shen; Zuowei Xie","Atom-Economical Synthesis of N-Heterocycles via Cascade Inter-/Intramolecular C-N Bond-Forming Reactions Catalyzed by Ti Amides","Journal of the American Chemical Society","2010","132","","11473","11480","10.1021/ja101796k","","","0.71073","MoKα","","0.1357","0.0511","","","0.1022","0.1318","","","","","","0.996","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4103041","19.1765","0.0009","19.4319","0.0009","41.7319","0.0019","90","","90","","90","","15550.8","1.2","173","","173","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C76 H106 Cu F6 N4 O7 Sb -","- C76 H92 Cu F6 N4 O7 Sb -","- C608 H736 Cu8 F48 N32 O56 Sb8 -","8","0.5","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.0647","0.0627","","","0.179","0.1811","","","","","","1.096","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103505","31.188","0.002","39.12","0.003","10.262","0.0006","90","","90","","90","","12520.4","1.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET) (compiled Jan 12 2007,17:49:11)","","- C30 H46 N4 O Si2 -","- C30 H46 N4 O Si2 -","- C480 H736 N64 O16 Si32 -","16","1","","Wenyuan Wang; Shigeyoshi Inoue; Shenglai Yao; Matthias Driess","An Isolable Bis-Silylene Oxide (""Disilylenoxane"") and Its Metal Coordination","Journal of the American Chemical Society","2010","132","","15890","15892","10.1021/ja106458p","","","0.71073","MoKα","","0.0754","0.0488","","","0.0604","0.065","","","","","","0.897","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103983","10.8568","0.0014","18.625","0.003","40.746","0.018","90","","90","","90","","8239","4","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C5 H9 Au N2 Sn -","- C5 H9 Au N2 Sn -","- C160 H288 Au32 N64 Sn32 -","32","2","","Andrea Deák; Tünde Tunyogi; Gábor Pálinkás","Synthesis and Structure of a Cyanoaurate-Based Organotin Polymer Exhibiting Unusual Ion-Exchange Properties","Journal of the American Chemical Society","2009","131","","2815","2817","10.1021/ja809067t","","","0.71073","MoKα","","0.0501","0.045","","","0.0922","0.0951","","","","","","1.179","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4104073","30.896","0.004","50.891","0.007","9.0942","0.0013","90","","90","","90","","14299","3","105","0.1","105","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","jonjt03","","","- C38 H50 Ni P2 S2 -","- C38 H50 Ni P2 S2 -","- C608 H800 Ni16 P32 S32 -","16","1","","Jorge Torres-Nieto; William W. Brennessel; William D. Jones; Juventino J. García","Mechanistic Insights on the Hydrodesulfurization of Biphenyl-2-thiol with Nickel Compounds","Journal of the American Chemical Society","2009","131","","4120","4126","10.1021/ja809457s","","","0.71073","MoKα","","0.0758","0.0471","","","0.0768","0.0863","","","","","","1.012","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4105322","20.701","0.005","43.699","0.011","8.231","0.002","90","","90","","90","","7446","3","90","2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C48 H52 Ge -","- C48 H52 Ge -","- C384 H416 Ge8 -","8","0.5","","Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power","Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination","Journal of the American Chemical Society","2009","131","","16272","16282","10.1021/ja9068408","","","0.71073","MoKα","","0.0673","0.0462","","","0.1017","0.1118","","","","","","1.009","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105550","17.515","0.003","28.008","0.004","29.362","0.004","90","","90","","90","","14404","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C89 H86 Cl2 N2 Ni O5 -","- C89 H86 Cl2 N2 Ni O5 -","- C712 H688 Cl16 N16 Ni8 O40 -","8","0.5","","Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari","A Two-Coordinate Nickel Imido Complex That Effects C-H Amination","Journal of the American Chemical Society","2011","133","","771","773","10.1021/ja1101213","","","0.71073","MoKα","","0.0947","0.0718","","","0.1725","0.1832","","","","","","0.982","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105692","15.822","0.003","64.769","0.013","6.4071","0.0013","90","","90","","90","","6566","2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C288 H352 N32 O48 -","16","1","","Keiji Mori; Shosaku Sueoka; Takahiko Akiyama","Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process","Journal of the American Chemical Society","2011","133","","2424","2426","10.1021/ja110520p","","","0.71073","MoKα","","0.0626","0.0485","","","0.1202","0.128","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105935","49.62","0.0001","50.589","0.0006","6.059","0.0006","90","","90","","90","","15209.5","1.5","90","1","90","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H54 Cl6 N18 O12 Zn3 -","- C72 H54 Cl6 N18 O12 Zn3 -","- C576 H432 Cl48 N144 O96 Zn24 -","8","0.5","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.88559","synchrotron","","0.0854","0.0792","","","0.2073","0.2152","","","","","","1.037","","","","has coordinates,has disorder","178805","2020-10-21","18:00:00",""
"4106285","14.0912","0.0002","14.9035","0.0002","12.5426","0.0002","90","","90","","90","","2634.05","0.07","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Br Li N2 O4 -","- C8 H18 Br Li N2 O4 -","- C64 H144 Br8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.018","0.0178","","","0.0464","0.0465","","","","","","1.089","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106287","14.0427","0.0005","14.6533","0.0005","12.4822","0.0004","90","","90","","90","","2568.49","0.15","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H18 Cl Li N2 O4 -","- C8 H18 Cl Li N2 O4 -","- C64 H144 Cl8 Li8 N16 O32 -","8","0.5","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0342","0.0312","","","0.0726","0.0738","","","","","","0.994","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106313","17.5092","0.001","29.7286","0.0018","8.5863","0.0005","90","","90","","90","","4469.4","0.5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H24 F10 N4 O2 Zn -","- C16 H24 F10 N4 O2 Zn -","- C128 H192 F80 N32 O16 Zn8 -","8","0.5","","Ilya Popov; Sergey Lindeman; Olafs Daugulis","Copper-Catalyzed Arylation of 1H-Perfluoroalkanes","Journal of the American Chemical Society","2011","133","","9286","9289","10.1021/ja2041942","","","0.71073","MoKα","","0.0395","0.0384","","","0.102","0.1031","","","","","","1.052","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106444","15.417","0.003","23.492","0.005","32.648","0.007","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H40 Fe N4 Ni2 O9 -","- C50 H40 Fe N4 Ni2 O9 -","- C400 H320 Fe8 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.094","0.089","","","0.2303","0.2408","","","","","","1.033","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106445","15.571","0.003","23.296","0.005","32.328","0.007","90","","90","","90","","11727","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H54 N4 Ni2 O21 -","- C40 H30 N4 Ni2 O21 -","- C320 H240 N32 Ni16 O168 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0627","0.0593","","","0.1521","0.1559","","","","","","1.088","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106446","15.526","0.003","22.639","0.005","32.994","0.007","90","","90","","90","","11597","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H30 N4 Ni2 O9 -","- C40 H30 N4 Ni2 O9 -","- C320 H240 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0651","0.0598","","","0.1594","0.1664","","","","","","1.089","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106447","15.322","0.003","24.083","0.005","31.621","0.006","90","","90","","90","","11668","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H46 N4 Ni2 O9 -","- C60 H46 N4 Ni2 O9 -","- C480 H368 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0578","0.0547","","","0.1449","0.1488","","","","","","1.063","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106448","15.483","0.003","23.434","0.005","32.448","0.007","90","","90","","90","","11773","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C94 H102 N8 Ni4 O25 -","- C94 H102 N8 Ni4 O25 -","- C376 H408 N32 Ni16 O100 -","4","0.25","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.1029","0.0861","","","0.2051","0.2172","","","","","","1.176","","","","has coordinates,has disorder","178810","2020-10-21","18:00:00",""
"4106449","15.477","0.003","23.392","0.005","32.321","0.007","90","","90","","90","","11701","4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H52 N4 Ni2 O9 -","- C64 H52 N4 Ni2 O9 -","- C512 H416 N32 Ni16 O72 -","8","0.5","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Highly Efficient Separation of a Solid Mixture of Naphthalene and Anthracene by a Reusable Porous Metal-Organic Framework through a Single-Crystal-to-Single-Crystal Transformation","Journal of the American Chemical Society","2011","133","","11042","11045","10.1021/ja203053y","","","0.71073","MoKα","","0.0694","0.0687","","","0.1814","0.1821","","","","","","1.197","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106642","35.2421","0.0015","52.7954","0.0019","10.2274","0.0004","90","","90","","90","","19029.3","1.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C43 H25 O16 Pd0.5 Re4 Sb2 -","- C43 H25 O16 Pd0.511 Re4 Sb2 -","- C688 H400 O256 Pd8.176 Re64 Sb32 -","16","1","","Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky","Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior","Journal of the American Chemical Society","2011","133","","12994","12997","10.1021/ja205515u","","","0.71073","MoKα","","0.0446","0.0356","","","0.066","0.0692","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107938","17.418","0.004","62.197","0.014","14.634","0.003","90","","90","","90","","15854","6","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","jonbds05","10, [Ni(dippe)(2-cyanobutenyl)]+ BPh4-","","- C43 H58 B N Ni P2 -","- C43 H58 B N Ni P2 -","- C688 H928 B16 N16 Ni16 P32 -","16","1","","Brett D. Swartz; Nicole M. Reinartz; William W. Brennessel; Juventino J. García; William D. Jones","Solvent Effects and Activation Parameters in the Competitive Cleavage of C-CN and C-H Bonds in 2-Methyl-3-Butenenitrile Using [(dippe)NiH]2","Journal of the American Chemical Society","2008","130","","8548","8554","10.1021/ja8000216","","","0.71073","MoKα","","0.1465","0.0678","","","0.1067","0.1299","","","","","","1.002","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4108826","30.02","0.12","41.81","0.16","8.44","0.03","90","","90","","90","","10593","7","173.1","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H39 Fe N2 -","- C31 Fe N2 -","- C496 Fe16 N32 -","16","1","","Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi","C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene","Journal of the American Chemical Society","2008","130","","17174","17186","10.1021/ja8063028","","","0.7107","MoKα","","","0.2438","","","","0.2745","","","","","","3.386","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109167","21.927","0.006","29.244","0.004","8.089","0.002","90","","90","","90","","5187","2","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(3,5-dimethyl-pyridin-4-yl)-3,5-dimethyl-phenol","","- C15 H17 N O -","- C15 H17 N O -","- C240 H272 N16 O16 -","16","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.0431","0.0381","","","0.0982","0.1023","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109347","25.544","0.002","32.347","0.004","12.809","0.002","90","","90","","90","","10584","2","110","","110","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C54 H58 B2 F8 Fe3 N10 O2 -","- C54 H58 B2 F8 Fe3 N10 O2 -","- C432 H464 B16 F64 Fe24 N80 O16 -","8","0.5","","Masayuki Nihei; Lingqin Han; Hiroki Oshio","Magnetic Bistability and Single-Crystal-to-Single-Crystal Transformation Induced by Guest Desorption","Journal of the American Chemical Society","2007","129","","5312","5313","10.1021/ja069120i","","","0.71073","MoKα","","0.07","0.0526","","","0.1354","0.1506","","","","","","1.026","","","","has coordinates","264242","2021-04-16","08:51:56",""
"4109721","38.937","0.003","48","0.004","9.5196","0.0007","90","","90","","90","","17792","2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C94 H98 Mn N10 O28 Rh2 -","- C94 H98 Mn N10 O28 Rh2 -","- C752 H784 Mn8 N80 O224 Rh16 -","8","0.5","","Elena Cariati; Roberto Macchi; Dominique Roberto; Renato Ugo; Simona Galli; Nicola Casati; Piero Macchi; Angelo Sironi; Lapo Bogani; Andrea Caneschi; Dante Gatteschi","Polyfunctional Inorganic-Organic Hybrid Materials: An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation","Journal of the American Chemical Society","2007","129","","9410","9420","10.1021/ja0710712","","","0.71069","MoKα","","0.0703","0.0468","","","0.1106","0.1274","","","","","","1.067","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109722","39.406","0.003","48.573","0.004","9.4673","0.0008","90","","90","","90","","18121","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C94 H98 Fe2 Mn N10 O28 -","- C94 H98 Fe2 Mn N10 O28 -","- C752 H784 Fe16 Mn8 N80 O224 -","8","0.5","","Elena Cariati; Roberto Macchi; Dominique Roberto; Renato Ugo; Simona Galli; Nicola Casati; Piero Macchi; Angelo Sironi; Lapo Bogani; Andrea Caneschi; Dante Gatteschi","Polyfunctional Inorganic-Organic Hybrid Materials: An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation","Journal of the American Chemical Society","2007","129","","9410","9420","10.1021/ja0710712","","","0.71073","MoKα","","0.0849","0.0507","","","0.1212","0.1441","","","","","","1.046","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109723","39.299","0.002","48.612","0.003","9.4962","0.0006","90","","90","","90","","18141.6","1.8","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C94 H98 Cr2 Mn N10 O28 -","- C94 H98 Cr2 Mn N10 O28 -","- C752 H784 Cr16 Mn8 N80 O224 -","8","0.5","","Elena Cariati; Roberto Macchi; Dominique Roberto; Renato Ugo; Simona Galli; Nicola Casati; Piero Macchi; Angelo Sironi; Lapo Bogani; Andrea Caneschi; Dante Gatteschi","Polyfunctional Inorganic-Organic Hybrid Materials: An Unusual Kind of NLO Active Layered Mixed Metal Oxalates with Tunable Magnetic Properties and Very Large Second Harmonic Generation","Journal of the American Chemical Society","2007","129","","9410","9420","10.1021/ja0710712","","","0.71073","MoKα","","0.2281","0.0864","","","0.2069","0.2838","","","","","","0.969","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109750","25.376","0.002","41.133","0.005","10.9179","0.0011","90","","90","","90","","11396","2","103","2","103","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C60 H88 B2 Mg N4 O2 -","- C60 H88 B2 Mg N4 O2 -","- C480 H704 B16 Mg8 N32 O16 -","8","0.5","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0702","0.0695","","","0.1795","0.1799","","","","","","1.156","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109996","22.0418","0.0018","15.4524","0.0013","17.4014","0.0014","90","","90","","90","","5926.9","0.8","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H44 N2 O4 Ti -","- C28 H44 N2 O4 Ti -","- C224 H352 N16 O32 Ti8 -","8","0.5","","Michal Shavit; Dani Peri; Cesar M. Manna; Jacob S. Alexander; Edit Y. Tshuva","Active Cytotoxic Reagents Based on Non-metallocene Non-diketonato Well-Defined C2-Symmetrical Titanium Complexes of Tetradentate Bis(phenolato) Ligands","Journal of the American Chemical Society","2007","129","","12098","12099","10.1021/ja0753086","","","0.71073","MoKα","","0.0346","0.034","","","0.0867","0.0872","","","","","","1.108","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110062","40.804","0.002","45.984","0.002","9.8364","0.0005","90","","90","","90","","18456.3","1.5","220","2","220","2","","","","","","","","5","F d d 2","F 2 -2d","43","cmpd_7a","","","- C42 H74 Hf2 N8 Si -","- C42 H74 Hf2 N8 Si -","- C672 H1184 Hf32 N128 Si16 -","16","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.042","0.0367","","","0.0712","0.0728","","","","","","1","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110149","34.334","0.005","10.251","0.005","13.999","0.005","90","0.005","90","0.005","90","0.005","4927","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H36 F24 N8 O0 P4 -","- C42 H36 F24 N8 P4 -","- C168 H144 F96 N32 P16 -","4","0.25","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.0782","0.065","","","0.1383","0.1479","","","","","","1.061","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110274","22.196","0.005","42.772","0.009","13.683","0.003","90","","90","","90","","12990","5","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","06246b","","","- C30 H24 B2 F8 N6 Ru -","- C30 H24 B2 F8 N6 Ru -","- C480 H384 B32 F128 N96 Ru16 -","16","1","","Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann","Porous Crystalline Ruthenium Complexes Are Oxygen Sensors","Journal of the American Chemical Society","2007","129","","15092","15093","10.1021/ja0681772","","","0.71073","MoKα","","0.1067","0.0912","","","0.2428","0.2531","","","","","","1.075","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110369","24.6668","0.0015","26.0509","0.0015","7.5084","0.0004","90","","90","","90","","4824.8","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","9-allyl adenine silver nirtate complex","","","- C9 H9 Ag N6 O3.5 -","- C9 H9 Ag N6 O3.5 -","- C144 H144 Ag16 N96 O56 -","16","1","","Chandra Shekhar Purohit; Sandeep Verma","A Luminescent Silver-Adenine Metallamacrocyclic Quartet","Journal of the American Chemical Society","2006","128","","400","401","10.1021/ja056452z","","","0.71073","MoKα","","0.0252","0.0251","","","0.0669","0.0671","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111030","28.268","0.0006","35.3567","0.001","10.8372","0.0002","90","","90","","90","","10831.4","0.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C52 H80 Cl2 Mo2 N4 Si2 -","- C52 H80 Cl2 Mo2 N4 Si2 -","- C416 H640 Cl16 Mo16 N32 Si16 -","8","0.5","","Yi-Chou Tsai; Yang-Miin Lin; Jen-Shiang K. Yu; Jenn-Kang Hwang","A Three-Coordinate and Quadruply Bonded Mo-Mo Complex","Journal of the American Chemical Society","2006","128","","13980","13981","10.1021/ja0635884","","","0.71073","MoKα","","0.0511","0.04","","","0.0899","0.0956","","","","","","1.059","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111543","45.826","0.007","19.147","0.003","22.955","0.003","90","","90","","90","","20141","5","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C75 H139 Cl2 Cu3 O8 P6 -","- C75 H139 Cl2 Cu3 O8 P6 -","- C600 H1112 Cl16 Cu24 O64 P48 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1368","0.0671","","","0.1729","0.2012","","","","","","0.898","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111545","45.837","0.009","19.17","0.004","22.935","0.005","90","","90","","90","","20153","7","301","2","301","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C75 H139 Cu3 F12 P8 -","- C75 H139 Cu3 F12 P8 -","- C600 H1112 Cu24 F96 P64 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0745","0.0535","","","0.141","0.1597","","","","","","0.993","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111604","25.767","0.01","28.493","0.017","19.631","0.007","90","","90","","90","","14413","11","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","zirconium","Zirconium amide O2 adduct","","- C20 H60 N10 O2 Zr3 -","- C20 H60 N10 O2 Zr3 -","- C320 H960 N160 O32 Zr48 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0292","0.0275","","","0.0883","0.0907","","","","","","0.855","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111605","25.632","0.006","28.495","0.01","19.577","0.004","90","","90","","90","","14299","7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Hafnium","Hafnium amide O2 adduct","","- C20 H60 Hf3 N10 O2 -","- C20 H60 Hf3 N10 O2 -","- C320 H960 Hf48 N160 O32 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0318","0.0299","","","0.0837","0.0851","","","","","","1.08","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111737","25.083","0.01","36.373","0.015","5.759","0.002","90","","90","","90","","5254","4","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C224 H288 O80 -","16","1","","Christopher J. Mortko; Miguel A. Garcia-Garibay","Green Chemistry Strategies Using Crystal-to-Crystal Photoreactions: Stereoselective Synthesis and Decarbonylation of trans-α,α'-Dialkenoylcyclohexanones","Journal of the American Chemical Society","2005","127","","7994","7995","10.1021/ja0508166","","","0.71073","MoKα","","0.0374","0.0312","","","0.0752","0.0777","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112446","27.388","0.007","48.097","0.013","7.307","0.002","90","","90","","90","","9625","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","[Me2NN]Co(toluene)","","","- C28 H33 Co N2 -","- C28 H33 Co N2 -","- C448 H528 Co16 N32 -","16","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.0997","0.0498","","","0.0684","0.0766","","","","","","0.872","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112649","14.285","0.001","24.3558","0.0017","31.508","0.002","90","","90","","90","","10962.3","1.3","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","Cr3(dpa)4(NCS)2, (toluene)2","","","- C56 H48 Cr3 N14 S2 -","- C56 H47 Cr3 N14 S2 -","- C448 H376 Cr24 N112 S16 -","8","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0387","0.0332","","","0.0824","0.0864","","","","","","1.071","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112662","17.276","0.005","69.1","0.1","9.519","0.002","90","","90","","90","","11364","17","123.2","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H38 Cl N3 O Pd -","- C31 H38 Cl N3 O Pd -","- C496 H608 Cl16 N48 O16 Pd16 -","16","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.038","","","","0.1012","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112670","24.991","0.005","51.872","0.01","9.933","0.002","90","","90","","90","","12876","4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C640 H512 N32 -","16","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1055","0.0549","","","0.1398","0.1505","","","","","","1.023","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112773","29.7502","0.0004","24.2689","0.0007","20.0769","0.0007","90","0","90","0","90","0","14495.6","0.7","298","","","","","","","","","","synthesis as described","4","F d d 2","F 2 -2d","43","","","","- C133 H32 Cl2 N2 -","- C132.5 H32 Cl2 N2 -","- C1060 H256 Cl16 N16 -","8","0.5","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","","0.71073","xray","","","0.033","","","0.036","","","","","3.112","3.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113195","31.469","0.006","10.855","0.002","14.079","0.004","90","","90","","90","","4809.3","1.9","213","2","213","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H32 Cl2 N2 O2 Zr -","- C22 H32 Cl2 N2 O2 Zr -","- C176 H256 Cl16 N16 O16 Zr8 -","8","0.5","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0283","0.023","","0.0597","","0.058","","","1.065","","","1.074","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113490","14.69","0.0001","60.505","0.0007","11.762","0.0001","90","","90","","90","","10454.3","0.17","200","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H31 Fe O6 P3 S -","- C22 H31 Fe O6 P3 S -","- C352 H496 Fe16 O96 P48 S16 -","16","1","","Tsutomu Mizuta; Yuki Imamura; Katsuhiko Miyoshi","Ring-Opening Reaction of Phosphorus-Bridged [1]Ferrocenophane via Ring Slippage from η5- to η1-Cp","Journal of the American Chemical Society","2003","125","","2068","2069","10.1021/ja029297m","","","0.7107","MoKα","","","0.0374","","","","0.0666","","","","","","1.323","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113552","29.7502","0.0004","24.2689","0.0007","20.0769","0.0007","90","0","90","0","90","0","14495.6","0.7","298","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C133 H32 Cl2 N2 -","- C132.5 H32 Cl2 N2 -","- C1060 H256 Cl16 N16 -","8","0.5","","Eiichi Nakamura; Kazukuni Tahara; Yutaka Matsuo; Masaya Sawamura","Synthesis, Structure, and Aromaticity of a Hoop-Shaped Cyclic Benzenoid [10]Cyclophenacene","Journal of the American Chemical Society","2003","125","","2834","2835","10.1021/ja029915z","","","0.71073","xray","","","0.033","","","0.036","","","","","3.112","3.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113557","40.376","0.004","27.904","0.002","31.186","0.002","90","","90","","90","","35136","5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- Fe3 K9 Na0 O94.5 P2 W18 -","- Fe3 K9 O94.5 P2 W18 -","- Fe48 K144 O1512 P32 W288 -","16","1","","Nelya M. Okun; Travis M. Anderson; Craig L. Hill","[(FeIII(OH2)2)3(A-α-PW9O34)2]9- on Cationic Silica Nanoparticles, a New Type of Material and Efficient Heterogeneous Catalyst for Aerobic Oxidations","Journal of the American Chemical Society","2003","125","","3194","3195","10.1021/ja0267223","","","0.71073","MoKα","","0.0436","0.0419","","","0.0916","0.0924","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113708","36.948","0.004","51.99","0.006","10.2531","0.0011","90","","90","","90","","19695","4","213","2","213","2","","","","","","","synthesized","6","F d d 2","F 2 -2d","43","","","","- C99 H100 Cl4 Mo4 N12 O16 -","- C99 H100 Cl4 Mo4 N12 O16 -","- C792 H800 Cl32 Mo32 N96 O128 -","8","0.5","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.031","0.0278","","0.0654","0.0631","","","","1.056","1.051","1.051","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113737","29.155","0.004","37.198","0.004","10.5835","0.0014","90","","90","","90","","11478","3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C65 H64 Na2 O11 -","- C65 H64 Na2 O11 -","- C520 H512 Na16 O88 -","8","0.5","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1331","0.1016","","","0.2087","0.2236","","","","","","1.203","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4114476","32.721","0.004","49.518","0.005","8.609","0.0008","90","","90","","90","","13949","3","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C24 H41 B F6 Fe2 N9.5 O5.25 P -","- C24 H39.5 B F6 Fe2 N9.5 O5.25 P -","- C384 H632 B16 F96 Fe32 N152 O84 P16 -","16","1","","Leonardo D. Slep; Ana Mijovilovich; Wolfram Meyer-Klaucke; Thomas Weyhermüller; Eckhard Bill; Eberhard Bothe; Frank Neese; Karl Wieghardt","Mixed-Valent {FeIV(μ-O)(μ-carboxylato)2FeIII}3+ Core","Journal of the American Chemical Society","2003","125","","15554","15570","10.1021/ja030377f","","","0.71073","MoKα","","0.0859","0.0541","","0.1165","0.1063","","","","1.034","1.107","1.107","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114579","23.112","0.003","35.397","0.002","12.425","0.002","90","","90","","90","","10165","2","293.2","","293.2","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H34 Co N10 O3.5 -","- C21 H33 Co N10 O3.5 -","- C336 H528 Co16 N160 O56 -","16","1","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0476","0.048","","0.039","","0.039","","","2.54","","","2.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115143","17.5069","0.0006","31.2182","0.0011","16.0615","0.0006","90","","90","","90","","8778.2","0.5","243","2","243","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C15 H22 Cl Co N5 O10 P -","- C15 H18 Cl Co N5 O10 P -","- C240 H288 Cl16 Co16 N80 O160 P16 -","16","1","","Jik Chin; Suhman Chung; Dong H. Kim","Synergistic Effect between Metal Coordination and Hydrogen Bonding in Phosphate and Halide Recognition","Journal of the American Chemical Society","2002","124","","10948","10949","10.1021/ja026920u","","","0.71073","MoKα","","0.0734","0.0653","","","0.1597","0.1654","","","","","","1.107","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115461","21.523","0.002","23.449","0.003","7.3211","0.0008","90","","90","","90","","3694.9","0.7","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","1","","Lakshmaiah Gingipalli; Peter C. Dedon","Reaction of cis- and trans-2-Butene-1,4-dial with 2'-Deoxycytidine to Form Stable Oxadiazabicyclooctaimine Adducts","Journal of the American Chemical Society","2001","123","","2664","2665","10.1021/ja0056421","","","0.71073","MoKα","","0.0465","0.0435","","","0.096","0.0971","","","","","","1.145","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4116315","26.1539","0.0001","64.6139","0.0003","12.7408","0.0001","90","","90","","90","","21530.7","0.2","173","2","173","2","","","","","","","Y. Zang/ Prof. L. Que","6","F d d 2","F 2 -2d","43","95060","","","- C44 H68 Cl3 Fe2 N9 O15.5 -","- C44 H68 Cl3 Fe2 N9 O15.5 -","- C704 H1088 Cl48 Fe32 N144 O248 -","16","1","","Hui Zheng; Yan Zang; Yanhong Dong; Victor G. Young; Lawrence Que","Complexes with FeIII2(μ-O)(μ-OH), FeIII2(μ-O)2, and [FeIII3(μ2-O)3] Cores: Structures, Spectroscopy, and Core Interconversions","Journal of the American Chemical Society","1999","121","","2226","2235","10.1021/ja983615t","","","0.71073","MoKα","","0.051","0.0485","","0.1374","0.1327","","","","1.052","1.05","1.05","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116589","16.277","0.002","30.993","0.004","10.906","0.001","90","","90","","90","","5501.8","1.1","213","2","213","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C224 H336 N16 O48 -","16","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1056","0.0434","","","0.0581","0.0641","","","","","","1.139","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116903","28.574","0.005","35.214","0.006","19.572","0.007","90","","90","","90","","19693","9","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C94 H98 Mo4 N12 O3 -","- C94 H90 Mo4 N12 O3 -","- C752 H720 Mo32 N96 O24 -","8","0.5","","F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz","Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets","Journal of the American Chemical Society","1998","120","","12531","12538","10.1021/ja982425f","","","0.71073","MoKα","","0.0799","0.066","","0.1906","0.1748","","","","1.192","1.178","1.178","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116921","20.6215","0.0004","36.4257","0.0002","6.2408","0.0001","90","","90","","90","","4687.79","0.12","198","","0","","","","","","","","?","5","F d d 2","F 2 -2d","43","","","","- C14 H10 Cd0.5 N O2 -","- C28 H20 Cd N2 O4 -","- C224 H160 Cd8 N16 O32 -","8","0.5","","Wenbin Lin; Owen R. Evans; Ren-Gen Xiong; Zhiyong Wang","Supramolecular Engineering of Chiral and Acentric 2D Networks. Synthesis, Structures, and Second-Order Nonlinear Optical Properties of Bis(nicotinato)zinc and Bis{3-[2-(4-pyridyl)ethenyl]benzoato}cadmium","Journal of the American Chemical Society","1998","120","","13272","13273","10.1021/ja983415h","","","0.71073","MoKα","","","0.0292","","","0.0305","","","","","1.1784","1.1784","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117005","11.2028","0.0015","30.39","0.008","8.1221","0.0017","90","","90","","90","","2765.2","1","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","1-hydroxy-1H-2,3,1-benzoxazaborine","","- C7 H6 B N O2 -","- C7 H6 B N O2 -","- C112 H96 B16 N16 O32 -","16","1","","Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson","Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs","Journal of the American Chemical Society","1997","119","","7817","7826","10.1021/ja963784i","","","0.71069","MoKα","","","0.04","","","0.031","","","","","2.4","2.4","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4119811","44.931","0.003","47.822","0.004","20.0654","0.0015","90","","90","","90","","43114","6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","4a2+","","","- C103.5 H84 Cl15 F18 N3 O6 Sb2 -","- C103.5 H84 Cl15 F18 N3 O6 Sb2 -","- C1656 H1344 Cl240 F288 N48 O96 Sb32 -","16","1","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.7107","MoKα","","0.0659","0.0548","","","0.1349","0.1465","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119963","24.85","0.007","31.445","0.009","12.115","0.004","90","","90","","90","","9467","5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cl2NNCu](NHC6CH10)","","","- C23 H24 Cl4 Cu N3 -","- C23 H24 Cl4 Cu N3 -","- C368 H384 Cl64 Cu16 N48 -","16","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.0271","0.0243","","","0.052","0.0528","","","","","","1.002","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4120071","21.3874","0.0012","74.376","0.004","14.0041","0.0008","90","","90","","90","","22276","2","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H74.1 Cl0.1 Se1.86 Sn0.9 -","- C60 H74.038 Cl0.1 Se1.862 Sn0.9 -","- C960 H1184.61 Cl1.6 Se29.792 Sn14.4 -","16","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0259","0.0239","","","0.0501","0.0507","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120509","26.4363","0.0022","29.5785","0.0031","3.67284","0.00016","90","","90","","90","","2872","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C96 H16 N32 O16 S64 -","16","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.21687","","1.4","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120651","26.445","0.005","29.271","0.005","6.4052","0.0016","90","","90","","90","","4958.1","1.8","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C240 H240 N48 -","16","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0697","0.059","","","0.1459","0.1533","","","","","","1.073","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4121461","39.222","0.003","26.018","0.002","27.887","0.002","90","","90","","90","","28458","4","100","2","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C39.17 H16 N14.5 O38.92 Zr6 -","- C39.1666 H16 N14.5 O38.9166 Zr6 -","- C626.666 H256 N232 O622.666 Zr96 -","16","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0388","0.0382","","","0.1135","0.1157","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121749","21.149","0.004","40.631","0.008","3.8885","0.0007","90","","90","","90","","3341.4","1.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C128 H96 Cl32 N32 -","16","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0599","0.0497","","","0.1262","0.1317","","","","","","1.005","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121906","20.588","0.006","78.02","0.02","8.621","0.002","90","","90","","90","","13848","6","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","H4ETTC","4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl] -4-carboxylic acid))","","- C72 H78 N6 O14 -","- C72 H78 N6 O14 -","- C576 H624 N48 O112 -","8","0.5","","Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Jr, Roy N; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai","Rigidifying fluorescent linkers by metal-organic framework formation for fluorescence blue shift and quantum yield enhancement.","Journal of the American Chemical Society","2014","136","23","8269","8276","10.1021/ja5006866","","","0.71073","MoKα","","0.1806","0.1346","","","0.2929","0.3114","","","","","","1.004","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121954","18.365","0.004","31.823","0.005","8.7225","0.0011","90","","90","","90","","5097.7","1.5","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1747","0.1407","","0.3984","0.3745","0.3984","","","","","","1.6212","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121955","19.61","0.006","32.864","0.008","8.6757","0.0016","90","","90","","90","","5591","2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1748","0.1255","","0.3453","0.3015","0.3453","","","","","","1.2282","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121956","18.621","0.002","32.033","0.003","8.6911","0.0005","90","","90","","90","","5184.1","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1322","0.1013","","0.2575","0.2409","0.2575","","","","","","0.9975","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121959","18.951","0.002","32.321","0.003","8.6859","0.0005","90","","90","","90","","5320.2","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1495","0.1021","","0.2881","0.2512","0.2881","","","","","","0.9566","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122314","27.772","0.005","31.111","0.006","6.5431","0.0012","90","","90","","90","","5653.3","1.8","140","2","140","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H25 B N2 -","- C15 H25 B N2 -","- C240 H400 B16 N32 -","16","1","","Chu, Jiaxiang; Han, Xianghao; Kefalidis, Christos E.; Zhou, Jiliang; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Lewis Acid triggered reactivity of a lewis base stabilized scandium-terminal imido complex: C-h bond activation, cycloaddition, and dehydrofluorination.","Journal of the American Chemical Society","2014","136","31","10894","10897","10.1021/ja5061559","","","0.71073","MoKα","","0.0749","0.0456","","","0.0987","0.1211","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122361","20.1882","0.0003","53.1595","0.0011","10.6226","0.0002","90","","90","","90","","11400.1","0.4","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H32 B Cl Ge N4 -","- C26 H32 B Cl Ge N4 -","- C416 H512 B16 Cl16 Ge16 N64 -","16","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","0.71073","MoKα","","0.0692","0.0645","","","0.1768","0.1831","","","","","","1.059","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122659","37.246","0.0007","38.9864","0.0006","13.6966","0.0003","90","","90","","90","","19888.7","0.7","100.15","","100.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C92 H164 Cu4 O6 S6 Sm4 -","- C92 H164 Cu4 O6 S6 Sm4 -","- C736 H1312 Cu32 O48 S48 Sm32 -","8","0.5","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0417","0.0375","","","0.0911","0.093","","","","","","1.009","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122704","18.553","0.0007","50.228","0.004","5.1431","0.0002","90","","90","","90","","4792.8","0.5","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.107","0.0733","","","0.187","0.2213","","","","","","1.157","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122896","52.43","0.006","48.844","0.006","6.7985","0.0008","90","","90","","90","","17410","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C44 H41 N5 O7 Pt S2 -","- C44 H41 N5 O7 Pt S2 -","- C704 H656 N80 O112 Pt16 S32 -","16","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","1.54108","CuKα","","0.0701","0.0556","","","0.1371","0.1438","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4123612","23.148","0.007","17.385","0.005","18.182","0.004","90","","90","","90","","7317","3","110","","110","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42.5 H37 Cl N2 O6 -","- C42.5 H36 Cl N2 O6 -","- C340 H288 Cl8 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0698","0.0668","","","0.1873","0.191","","","","","","1.099","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4124503","18.226","","18.583","","6.579","","90","","90","","90","","2228.27","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Na16 (Al16 Si24 O80) (H2 O)16","","- Al16 H32 Na16 O96 Si24 -","- Al16 Na16 O96 Si24 -","- Al16 Na16 O96 Si24 -","1","0.0625","","Lee, Y.; Vogt, T.; Parise, J.B.; Hriljac, J.A.; Artioli, G.","Pressure-induced volume expansion of zeolites in the natrolite family","Journal of the American Chemical Society","2002","124","","5466","5475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124504","18.39","","18.829","","6.547","","90","","90","","90","","2267","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Na16 (Al16 Si24 O80) (H2 O)32","","- Al16 H64 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","1","0.0625","","Lee, Y.; Vogt, T.; Hriljac, J.A.; Parise, J.B.; Artioli, G.","Pressure-induced volume expansion of zeolites in the natrolite family","Journal of the American Chemical Society","2002","124","","5466","5475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124505","17.924","","18.325","","6.487","","90","","90","","90","","2130.7","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Na16 (Al16 Si24 O80) (H2 O)32","","- Al16 H64 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","- Al16 Na16 O112 Si24 -","1","0.0625","","Lee, Y.; Vogt, T.; Hriljac, J.A.; Parise, J.B.; Artioli, G.","Pressure-induced volume expansion of zeolites in the natrolite family","Journal of the American Chemical Society","2002","124","","5466","5475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124833","17.915","0.003","25.896","0.005","11.227","0.003","90","","90","","90","","5208.5","1.9","90","","90","","","","","","","","","6","F d d 2","F 2 -2d","43","","bromine-(dimethylsufide)-(C,N-(3-methyl-2-((methylimino)methyl)phenyl)platinum","","- C11 H16 Br N Pt S -","- C11 H16 Br N Pt S -","- C176 H256 Br16 N16 Pt16 S16 -","16","1","","Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.","Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.","Journal of the American Chemical Society","2015","137","51","16004","16007","10.1021/jacs.5b10993","","","0.71073","MoKα","","0.0106","0.0104","","","0.0248","0.0249","","","","","","1.055","","","","has coordinates","173466","2020-10-21","18:00:00",""
"4125654","12.2991","0.0019","13.34","0.002","40.35","0.007","90","","90","","90","","6620.2","1.8","123","","123","","","","","","","","Cathrin Ertl","7","F d d 2","F 2 -2d","43","","","","- C34 H24 F6 Ir N6 P S2 -","- C34 H24 F6 Ir N6 P S2 -","- C272 H192 F48 Ir8 N48 P8 S16 -","8","0.5","","Ertl, Cathrin D.; Momblona, Cristina; Pertegás, Antonio; Junquera-Hernández, José M; La-Placa, Maria-Grazia; Prescimone, Alessandro; Ortí, Enrique; Housecroft, Catherine E.; Constable, Edwin C.; Bolink, Henk J.","Highly Stable Red-Light-Emitting Electrochemical Cells.","Journal of the American Chemical Society","2017","139","8","3237","3248","10.1021/jacs.6b13311","","","1.54178","CuKα","","0.0171","0.017","","0.0405","0.0405","0.0405","","","","","","0.9244","","","","has coordinates","193051","2020-10-21","18:00:00",""
"4126344","37.987","0.005","40.925","0.005","9.9351","0.0013","90","","90","","90","","15445","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H53 N3 P2 Ti -","- C44 H53 N3 P2 Ti -","- C704 H848 N48 P32 Ti16 -","16","1","","Baek, Seung-Yeol; Kurogi, Takashi; Kang, Dahye; Kamitani, Masahiro; Kwon, Seongyeon; Solowey, Douglas; Chen, Chun-Hsing; Pink, Maren; Carroll, Patrick J.; Mindiola, Daniel J.; Baik, Mu-Hyun","Room Temperature Ring-Opening of Quinoline, Isoquinoline and Pyridine with Low-Valent Titanium.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07433","","","0.518","synchrotron","","0.1259","0.0808","","","0.1865","0.2122","","","","","","1.029","","","","has coordinates","200184","2020-10-21","18:00:00",""
"4127771","26.9938","0.0019","17.3049","0.0009","6.0736","0.0005","90","","90","","90","","2837.1","0.3","296","3","296","3","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H12 N4 O12 -","- C8 H12 N4 O12 -","- C64 H96 N32 O96 -","8","0.5","","Barton, Lisa M.; Edwards, Jacob T.; Johnson, Eric C.; Bukowski, Eric J.; Sausa, Rosario C.; Byrd, Edward F. C.; Orlicki, Joshua A.; Sabatini, Jesse J.; Baran, Phil S.","Impact of Stereo- and Regiochemistry on Energetic Materials.","Journal of the American Chemical Society","2019","141","32","12531","12535","10.1021/jacs.9b06961","","x-ray","0.71073","MoKα","","0.0326","0.0303","","","0.0716","0.0731","","","","","","1.084","","","","has coordinates","220942","2020-10-21","18:00:00",""
"4130165","28.017","0.0006","54.0051","0.0011","15.5349","0.0003","90","","90","","90","","23505.2","0.8","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C61 H51 Cd F12 N7 O5 P2 -","- C61 H51 Cd F12 N7 O5 P2 -","- C976 H816 Cd16 F192 N112 O80 P32 -","16","1","","Wang, Shih-Yu; Fu, Jun-Hao; Liang, Yen-Peng; He, Yun-Jui; Chen, Yu-Sheng; Chan, Yi-Tsu","Metallo-Supramolecular Self-Assembly of a Multicomponent Ditrigon Based on Complementary Terpyridine Ligand Pairing.","Journal of the American Chemical Society","2016","138","11","3651","3654","10.1021/jacs.6b01005","","","1.54178","CuKα","","0.0561","0.0473","","","0.1126","0.1226","","","","","","1.045","","","","has coordinates","240718","2020-10-21","18:00:00",""
"4130755","23.578","0.003","30.074","0.004","12.5159","0.0017","90","","90","","90","","8875","2","150.15","","150.15","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C246.4 H380.8 B16 Cl12.8 F64 Fe32 N48 O32 S32 -","16","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","0.71073","MoKα","","0.0314","0.0292","","","0.0776","0.0793","","","","","","1.057","","","","has coordinates","241124","2020-10-21","18:00:00",""
"4130804","17.6684","0.0006","50.2977","0.0016","7.4226","0.0003","90","","90","","90","","6596.3","0.4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C304 H352 N32 O16 -","16","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","0.71073","MoKα","","0.0473","0.0402","","","0.092","0.0962","","","","","","1.046","","","","has coordinates,has disorder","241169","2020-10-21","18:00:00",""
"4131171","30.438","0.0014","44.985","0.002","30.3992","0.0014","90","","90","","90","","41624","3","100","2","100","","","","","","","","","7","F d d 2","F 2 -2d","43","Cu-ISOCN-1","","","- C112 H119 Cu F6 N4 O3 P -","- C112 H119 Cu F6 N4 O3 P -","- C1792 H1904 Cu16 F96 N64 O48 P16 -","16","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","1.54178","CuKα","","0.1033","0.0887","","","0.2476","0.2708","","","","","","1.057","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131560","13.677","0.002","65.136","0.01","25.789","0.004","90","","90","","90","","22975","6","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C39 H18 Al2 Cr2 F48 N0 O11 -","- C39 H18 Al2 Cr2 F48 O11 -","- C624 H288 Al32 Cr32 F768 O176 -","16","1","","Wang, Wenqing; Li, Jing; Yin, Lei; Zhao, Yue; Ouyang, Zhongwen; Wang, Xinping; Wang, Zhenxing; Song, You; Power, Philip P.","Half-Sandwich Metal Carbonyl Complexes as Precursors to Functional Materials: From a Near-Infrared-Absorbing Dye to a Single-Molecule Magnet.","Journal of the American Chemical Society","2017","139","34","12069","12075","10.1021/jacs.7b06795","","","0.71073","MoKα","","0.1197","0.0843","","","0.1996","0.2185","","","","","","1.074","","","","has coordinates","241740","2020-10-21","18:00:00",""
"4132269","33.435","0.007","18.32","0.004","24.428","0.005","90","","90","","90","","14963","5","143","","143","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C98 H88 N8 -","- C98 H88 N8 -","- C784 H704 N64 -","8","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.0893","0.0668","","","0.1561","0.1703","","","","","","1.074","","","","has coordinates","242265","2020-10-21","18:00:00",""
"4132577","19.068","0.002","21.572","0.003","8.1409","0.0009","90","","90","","90","","3348.6","0.7","150","2","150.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C120 H248 B8 N16 -","8","0.5","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0713","0.0441","","","0.0931","0.1055","","","","","","1.05","","","","has coordinates,has disorder","242528","2020-10-21","18:00:00",""
"4133155","28.8306","0.0001","21.5132","0.0001","13.926","0.0001","90","","90","","90","","8637.44","0.08","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H56 Ba N4 O21 S2 -","- C32 H56 Ba N4 O21 S2 -","- C256 H448 Ba8 N32 O168 S16 -","8","0.5","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0144","0.0142","","","0.0374","0.0375","","","","","","1.133","","","","has coordinates","242988","2020-10-21","18:00:00",""
"4133201","12.8513","0.001","62.643","0.006","9.5148","0.0009","90","","90","","90","","7659.8","1.2","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C432 H320 O48 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0989","0.0525","","","0.097","0.125","","","","","","1.042","","","","has coordinates","243038","2020-10-21","18:00:00",""
"4133202","13.736","0.004","56.462","0.016","9.796","0.003","90","","90","","90","","7597","4","100","2","100","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C28 H22 -","- C28 H22 -","- C448 H352 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0991","0.0729","","","0.1654","0.1778","","","","","","1.046","","","","has coordinates","243039","2020-10-21","18:00:00",""
"4133244","18.4517","0.001","38.562","0.002","11.4056","0.0006","90","","90","","90","","8115.5","0.7","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H33 I -","- C26 H33 I -","- C416 H528 I16 -","16","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0187","0.0183","","","0.041","0.0411","","","","","","1.23","","","","has coordinates","243076","2020-10-21","18:00:00",""
"4133687","31.226","0.004","33.796","0.004","12.2692","0.0014","90","","90","","90","","12948","3","100","","100","","","","","","","","see text","3","F d d 2","F 2 -2d","43","","","","- C23 H58 Si6 -","- C23 H58 Si6 -","- C368 H928 Si96 -","16","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0182","0.018","","","0.0484","0.0485","","","","","","1.072","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133876","21.4066","0.0019","43.288","0.003","10.1268","0.0007","90","","90","","90","","9384","1.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","ligand hexane-THF","","","- C19 H24 Cl2 N4 O4 -","- C19 H24 Cl2 N4 O4 -","- C304 H384 Cl32 N64 O64 -","16","1","","van Leest, Nicolaas P.; Tepaske, Martijn A.; Oudsen, Jean-Pierre H; Venderbosch, Bas; Rietdijk, Niels R.; Siegler, Maxime A.; Tromp, Moniek; van der Vlugt, Jarl Ivar; de Bruin, Bas","Ligand Redox Non-Innocence in [Co<sup>III</sup>(TAML)]<sup>0/‒</sup> Complexes Affects Nitrene Formation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11715","","","0.71073","MoKα","","0.0237","0.0227","","","0.0595","0.0602","","","","","","1.031","","","","has coordinates","246312","2020-10-21","18:00:00",""
"4134455","40.0791","0.0008","13.0995","0.0003","3.698","0.0001","90","","90","","90","","1941.51","0.08","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C96 H32 F48 -","8","0.5","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","x-ray","1.54184","CuKα","","0.0321","0.0317","","","0.0808","0.0813","","","","","","1.056","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4135114","21.6885","0.0016","13.647","0.004","12.5084","0.0011","90","","90","","90","","3702.3","1.2","150","","150","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C18 Br6 -","- C18 Br6 -","- C144 Br48 -","8","0.5","","Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo","Synthesis of Cyclo[18]carbon via Debromination of C<sub>18</sub>Br<sub>6</sub>.","Journal of the American Chemical Society","2020","142","30","12921","12924","10.1021/jacs.0c05033","","","1.54184","CuKα","","0.2032","0.1297","","0.372","0.2958","0.372","","","","","","0.9687","","","","has coordinates","257120","2020-10-21","18:00:00",""
"4135606","14.498","0.003","44.396","0.012","3.6494","0.0009","90","","90","","90","","2348.9","1","105","2","105","2","","","","","","","","4","F d d 2","F 2 -2d","43","hydroxylammonium nitrocarbamoylazide","hydroxylammonium nitraminocarbonylazide","","- C H4 N6 O4 -","- C H4 N6 O4 -","- C16 H64 N96 O64 -","16","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0671","0.0549","","","0.1177","0.1274","","","","","","0.977","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4300395","28.6584","0.0005","11.7238","0.0002","18.0082","0.0003","90","","90","","90","","6050.49","0.18","150","1","150","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H26 Cl2 Cu2 N10 O -","- C32 H26 Cl2 Cu2 N10 O -","- C256 H208 Cl16 Cu16 N80 O8 -","8","0.5","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4301149","30.6638","0.0006","33.8849","0.0008","20.4672","0.0004","90","","90","","90","","21266.2","0.8","183","2","183","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C60 H62 Ca K2 N4 O3 -","- C60 H62 Ca K2 N4 O3 -","- C960 H992 Ca16 K32 N64 O48 -","16","1","","Matthias Westerhausen; Carsten Glock; Helmar Görls","Alkyl-Substituted Amides as Ligands in Homometallic and Heterobimetallic Calcium Complexes","Inorganic Chemistry","2009","48","","394","399","10.1021/ic801857m","","","0.71073","MoKα","","0.092","0.0567","","","0.1308","0.1496","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4301721","37.807","0.008","57.506","0.012","6.0684","0.0012","90","","90","","90","","13193","5","193","2","193","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C24 H36 F12 Hg N4 P2 S2 -","- C24 H36 F12 Hg N4 P2 S2 -","- C384 H576 F192 Hg16 N64 P32 S32 -","16","1","","Xiao-Yan Tang; Rong-Xin Yuan; Zhi-Gang Ren; Hong-Xi Li; Yong Zhang; Jian-Ping Lang","Interactions of a Cationic Mercury(II) Thiolate Complex [Hg(Tab)2](PF6)2 with N-Donor Ligands","Inorganic Chemistry","2009","48","","2639","2651","10.1021/ic8021744","","","0.71073","MoKα","","0.0457","0.0398","","","0.0982","0.113","","","","","","1.192","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4302564","27.8496","0.0008","53.0394","0.0014","15.0536","0.0004","90","","90","","90","","22236.1","1","120","","120","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C45 H75 Cl Co I N3 P3 Zr -","- C45 H75 Cl Co I N3 P3 Zr -","- C720 H1200 Cl16 Co16 I16 N48 P48 Zr16 -","16","1","","Bennett P. Greenwood; Scott I. Forman; Gerard T. Rowe; Chun-Hsing Chen; Bruce M. Foxman; Christine M. Thomas","Multielectron Redox Activity Facilitated by Metal-Metal Interactions in Early/Late Heterobimetallics: Co/Zr Complexes Supported by Phosphinoamide Ligands","Inorganic Chemistry","2009","48","","6251","6260","10.1021/ic900552b","","","0.71073","MoKα","","0.038","0.0332","","0.0902","0.0867","0.0902","","","","","","0.9936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302669","18.183","0.005","37.919","0.018","10.429","0.01","90","","90","","90","","7191","8","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C35 H52 B2 Cu F8 N6 O -","- C35 H52 B2 Cu F8 N6 O -","- C280 H416 B16 Cu8 F64 N48 O8 -","8","0.5","","Peter Comba; Christina Haaf; Hubert Wadepohl","Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries","Inorganic Chemistry","2009","48","","6604","6614","10.1021/ic900571v","","x-ray","0.71073","MoKα","","0.0588","0.0439","","","0.0943","0.1008","","","","","","1.077","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4303554","24.445","0.005","36.787","0.007","4.5773","0.0009","90","","90","","90","","4116.2","1.4","200","2","200","2","","","","","","","","4","F d d 2","F 2 -2d","43","nicotinic acid tetraethylene glycol","","","- C20 H24 N2 O7 -","- C20 H24 N2 O7 -","- C160 H192 N16 O56 -","8","0.5","","Fabienne Gschwind; Olha Sereda; Katharina M. Fromm","Multitopic Ligand Design: A Concept for Single-Source Precursors","Inorganic Chemistry","2009","48","","10535","10547","10.1021/ic9009064","","","0.71073","MoKα","","0.0725","0.0552","","","0.1227","0.1292","","","","","","1.094","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4303641","18.2391","0.0008","19.4562","0.0011","41.2517","0.0008","90","","90","","90","","14638.7","1.1","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H38 N4 S10 Sb2 -","- C24 H38 N4 S10 Sb2 -","- C384 H608 N64 S160 Sb32 -","16","1","","Libor Dostál; Roman Jambor; Aleš Růžička; Robert Jirásko; Václav Lochař; Ludvík Beneš; Frank de Proft","Nonconventional Behavior of NCN-Chelated Organoantimony(III) Sulfide and Isolation of Cyclic Organoantimony(III) Bis(pentasulfide)","Inorganic Chemistry","2009","48","","10495","10497","10.1021/ic901873k","","","0.71073","MoKα","","0.0673","0.0455","","","0.1025","0.1146","","","","","","1.073","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303873","20.2557","0.0008","44.6259","0.0018","13.505","0.0006","90","","90","","90","","12207.6","0.9","135","2","135","2","","","","","","","","6","F d d 2","F 2 -2d","43","Et-3,4-Thiophene-bis-Me-3,2-HOPO, uranyl dimer","","","- C48 H56 N8 O18 S8 U2 -","- C48 H56 N8 O18 S8 U2 -","- C384 H448 N64 O144 S64 U16 -","8","0.5","","Géza Szigethy; Kenneth N. Raymond","Designing the Ideal Uranyl Ligand: a Sterically Induced Speciation Change in Complexes with Thiophene-Bridged Bis(3-hydroxy-N-methylpyridin-2-one)(1)","Inorganic Chemistry","2009","48","","11489","11491","10.1021/ic901815b","","","0.71073","MoKα","","0.015","0.014","","","0.0308","0.031","","","","","","1.019","","","","has coordinates,has disorder","179076","2020-10-21","18:00:00",""
"4304008","19.8576","0.0011","44.419","0.002","10.8128","0.0005","90","","90","","90","","9537.5","0.8","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C64 H44 N6 Zn -","- C64 H44 N6 Zn -","- C512 H352 N48 Zn8 -","8","0.5","","Thomas S. Teets; David V. Partyka; James B. Updegraff; Thomas G. Gray","Homoleptic, Four-Coordinate Azadipyrromethene Complexes of d10 Zinc and Mercury","Inorganic Chemistry","2008","47","","2338","2346","10.1021/ic701190g","","","0.71073","MoKα","","0.0498","0.0388","","","0.1065","0.1192","","","","","","0.971","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304826","14.8825","0.0004","23.3281","0.0009","9.1087","0.0004","90","","90","","90","","3162.4","0.2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C4 H8 Cl2 Fe2 Li2 O13 -","- C4 Cl2 Fe2 Li2 O13 -","- C32 Cl16 Fe16 Li16 O104 -","8","0.5","","Donatella Armentano; Teresa F. Mastropietro; Giovanni De Munno; Patrizia Rossi; Francesc Lloret; Miguel Julve","New Extended Magnetic Systems Based on Oxalate and Iron(III) Ions","Inorganic Chemistry","2008","47","","3772","3786","10.1021/ic702403h","","","0.71073","MoKα","","0.0335","0.0332","","","0.1017","0.1021","","","","","","1.111","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304827","14.986","0.004","23.552","0.006","9.051","0.002","90","","90","","90","","3194.6","1.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C4 H8 Cl2 Fe2 Na2 O13 -","- C4 Cl2 Fe2 Na2 O9 -","- C32 Cl16 Fe16 Na16 O72 -","8","0.5","","Donatella Armentano; Teresa F. Mastropietro; Giovanni De Munno; Patrizia Rossi; Francesc Lloret; Miguel Julve","New Extended Magnetic Systems Based on Oxalate and Iron(III) Ions","Inorganic Chemistry","2008","47","","3772","3786","10.1021/ic702403h","","","0.71073","MoKα","","0.0503","0.0459","","","0.1285","0.1334","","","","","","1.158","","","","has coordinates,has disorder","179086","2020-10-21","18:00:00",""
"4304828","15.1807","0.0016","23.807","0.002","8.6398","0.0007","90","","90","","90","","3122.5","0.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C4 H8 Cl2 Fe2 K2 O13 -","- C4 H8 Cl2 Fe2 K2 O13 -","- C32 H64 Cl16 Fe16 K16 O104 -","8","0.5","","Donatella Armentano; Teresa F. Mastropietro; Giovanni De Munno; Patrizia Rossi; Francesc Lloret; Miguel Julve","New Extended Magnetic Systems Based on Oxalate and Iron(III) Ions","Inorganic Chemistry","2008","47","","3772","3786","10.1021/ic702403h","","","0.71073","MoKα","","0.03","0.0271","","","0.0688","0.0696","","","","","","1.042","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304853","12.634","0.001","33.36","0.002","6.547","0.001","90","","90","","90","","2759.4","0.5","122.4","0.5","122.4","0.5","","","","","","","","5","F d d 2","F 2 -2d","43","Dithioerythritol Arsenite","","","- C4 H7 As O2 S2 -","- C4 H7 As O2 S2 -","- C64 H112 As16 O32 S32 -","16","1","","András Kolozsi; Andrea Károly-Lakatos; Gábor Galbács; Anders Østergaard Madsen; Erik Larsen; Béla Gyurcsik","A pH-Metric, UV, NMR, and X-ray Crystallographic Study on Arsenous Acid Reacting with Dithioerythritol","Inorganic Chemistry","2008","47","","3832","3840","10.1021/ic7024439","","x-ray","0.71073","MoKα","","0.0202","0.0171","","","0.0419","0.0435","","","","","","1.012","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4305577","25.235","0.0001","30.842","0.0002","12.2446","0.0001","90","","90","","90","","9529.95","0.11","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C41 H55 Cl2 N13 O13 Ru -","- C41 H55 Cl2 N13 O13 Ru -","- C328 H440 Cl16 N104 O104 Ru8 -","8","0.5","","Ariadna Garza-Ortiz; Palanisamy Uma Maheswari; Maxime Siegler; Anthony L. Spek; Jan Reedijk","Ruthenium(III) Chloride Complex with a Tridentate Bis(arylimino)pyridine Ligand: Synthesis, Spectra, X-ray Structure, 9-Ethylguanine Binding Pattern, and In Vitro Cytotoxicity","Inorganic Chemistry","2008","47","","6964","6973","10.1021/ic8005579","","","0.71073","MoKα","","0.0202","0.0186","","","0.0474","0.0482","","","","","","1.059","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305630","25.809","0.003","26.015","0.004","9.0051","0.0011","90","","90","","90","","6046.2","1.4","223","2","223","2","","","","","","","synthetic","6","F d d 2","F 2 -2d","43","","","","- C10 H14 Br2 F3 P Ru -","- C10 H14 Br2 F3 P Ru -","- C160 H224 Br32 F48 P16 Ru16 -","16","1","","Ahmed M. A. Boshaala; Stephen J. Simpson; Jochen Autschbach; Shaohui Zheng","Synthesis and Characterization of the Trihalophosphine Compounds of Ruthenium [RuX2(η6-cymene)(PY3)] (X = Cl, Br, Y = F, Cl, Br) and the Related PF2(NMe2) and P(NMe2)3 Compounds; Multinuclear NMR Spectroscopy and the X-ray Single Crystal Structures of [RuBr2(η6-cymene)(PF3)], [RuBr2(η6-cymene)(PF2{NMe2})], and [RuI2(η6-cymene)(P{NMe2}3)]","Inorganic Chemistry","2008","47","","9279","9292","10.1021/ic800611h","","x-ray","0.71073","MoKα","","0.043","0.0332","","0.0747","0.0705","","","","1.034","1.056","1.056","","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305744","32.654","0.007","15.738","0.007","11.161","0.002","90","","90","","90","","5736","3","160","2","160","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H30 Fe N5 O7 -","- C30 H30 Fe N5 O7 -","- C240 H240 Fe8 N40 O56 -","8","0.5","","Athanassios K. Boudalis; Juan Modesto Clemente-Juan; Françoise Dahan; Vassilis Psycharis; Catherine P. Raptopoulou; Bruno Donnadieu; Yiannis Sanakis; Jean-Pierre Tuchagues","Reversible Core-Interconversion of an Iron(III) Dihydroxo Bridged Complex","Inorganic Chemistry","2008","47","","11314","11323","10.1021/ic800716r","","","0.71073","MoKα","","0.0624","0.0436","","","0.1019","0.1124","","","","","","1.028","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305785","21.842","0.004","34.924","0.006","21.16","0.004","90","","90","","90","","16141","5","150","2","150","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C26 H32 F12 N4 O2 P2 Ru S4 -","- C26 H32 F12 N4 O2 P2 Ru S4 -","- C416 H512 F192 N64 O32 P32 Ru16 S64 -","16","1","","Naz Shan; Samuel M. Hawxwell; Harry Adams; Lee Brammer; Jim A. Thomas","Self-Assembly of Electroactive Thiacrown Ruthenium(II) Complexes into Hydrogen-Bonded Chain and Tape Networks","Inorganic Chemistry","2008","47","","11551","11560","10.1021/ic8007359","","","0.71073","MoKα","","0.1008","0.0608","","","0.1367","0.1528","","","","","","0.851","","","","has coordinates,has disorder","179095","2020-10-21","18:00:00",""
"4307390","13.5878","0.0003","37.972","0.001","10.821","0.0002","90","","90","","90","","5583.2","0.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H16 Cl2 Fe N O4 -","- C8 H16 Cl2 Fe N O4 -","- C128 H256 Cl32 Fe16 N16 O64 -","16","1","","Hong-Bin Xu; Zhe-Ming Wang; Tao Liu; Song Gao","Synthesis, Structure, and Magnetic Properties of (A)[FeIII(oxalate)Cl2] (A = Alkyl Ammonium Cations) with Anionic 1D [FeIII(oxalate)Cl2]- Chains","Inorganic Chemistry","2007","46","","3089","3096","10.1021/ic0618854","","","0.71073","MoKα","","0.082","0.0403","","","0.089","0.0979","","","","","","0.986","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307680","37.006","0.005","39.403","0.005","10.1814","0.0014","90","","90","","90","","14846","3","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28.25 H49.5 Br Cl1.5 Mo N5 O2 -","- C28.25 H49.5 Br Cl1.5 Mo N5 O2 -","- C452 H792 Br16 Cl24 Mo16 N80 O32 -","16","1","","Laura Ion; Dolores Morales; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; Richard A. Kowenicki; Mary McPartlin","Biimidazole and Bis(amide)bipyridine Molybdenum Carbonyl Complexes as Anions Receptors","Inorganic Chemistry","2007","46","","2846","2853","10.1021/ic0621650","","","0.71073","MoKα","","0.1163","0.0602","","","0.1443","0.1582","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308246","30.35","0.004","34.864","0.007","8.8405","0.0011","90","","90","","90","","9354","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H16 Ag2 N6 -","- C27 H16 Ag2 N6 -","- C432 H256 Ag32 N96 -","16","1","","Xiang-Ping Li; Jian-Yong Zhang; Mei Pan; Sheng-Run Zheng; Yu Liu; Cheng-Yong Su","Zero to Three Dimensional Increase of Silver(I) Coordination Assemblies Controlled by Deprotonation of 1,3,5-Tri(2-benzimidazolyl)benzene and Aggregation of Multinuclear Building Units","Inorganic Chemistry","2007","46","","4617","4625","10.1021/ic070309k","","","0.71073","MoKα","","0.0543","0.0357","","","0.0684","0.0743","","","","","","1.086","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308414","32.464","0.004","58.645","0.007","13.3568","0.0014","90","","90","","90","","25429","5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","Tetrakis((N-(3-methyl-2-pyridyl-kappaN)-(2,4,6- trimethylphenyl)sulfonamido-kappaN)silver(i))","Tetrakis[[N-(3-methyl-2-pyridyl-κN)- (2,4,6-trimethylphenyl)sulfonamido-κN]silver(I)]","","- C60 H68 Ag4 N8 O8 S4 -","- C60 H68 Ag4 N8 O8 S4 -","- C960 H1088 Ag64 N128 O128 S64 -","16","1","","Beloso, Inmaculada; Castro, Jesús; García-Vázquez, José A.; Pérez-Lourido, Paulo; Romero, Jaime; Sousa, Antonio","Electrochemical Synthesis and Structural Characterization of Silver(I) Complexes ofN-2-Pyridyl Sulfonamide Ligands with Different Nuclearity: Influence of the Steric Hindrance at the Pyridine Ring and the Sulfonamide Group on the Structure of the Complexes","Inorganic Chemistry","2005","44","2","336","351","10.1021/ic0490268","","","0.71073","MoKα","","0.1413","0.0398","","","0.0459","0.0609","","","","","","0.645","","","","has coordinates","210144","2020-10-21","18:00:00",""
"4308931","12.8302","0.001","38.855","0.003","9.9562","0.0008","90","","90","","90","","4963.3","0.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H16 Cu2 I2 N8 S4 -","- C16 H16 Cu2 I2 N8 S4 -","- C128 H128 Cu16 I16 N64 S32 -","8","0.5","","Dan Li; Wen-Juan Shi; Lei Hou","Coordination Polymers of Copper(I) Halides and Neutral Heterocyclic Thiones with New Coordination Modes","Inorganic Chemistry","2005","44","","3907","3913","10.1021/ic050209j","","","0.71073","MoKα","","0.027","0.0258","","","0.0527","0.0532","","","","","","1.07","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309447","32.3315","0.0003","17.2577","0.0002","19.4755","0.0002","90","","90","","90","","10866.7","0.2","240","2","240","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H104 B4 Eu N2 O2 -","- C48 H104 B4 N2 O2 Ra -","- C384 H832 B32 N16 O16 Ra8 -","8","0.5","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions","Inorganic Chemistry","2005","44","","6052","6061","10.1021/ic050573i","","","0.71073","MoKα","","0.0287","0.0225","","","0.0562","0.0589","","","","","","1.068","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309641","23.7408","0.0006","61.7408","0.0016","13.9414","0.0004","90","","90","","90","","20435","0.9","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C62.5 H45 F6 Fe N8 O1.5 -","- C62.5 H45 F6 Fe N8 O1.5 -","- C1000 H720 F96 Fe16 N128 O24 -","16","1","","Eunsuk Kim; Matthew E. Helton; Shen Lu; Pierre Moënne-Loccoz; Christopher D. Incarvito; Arnold L. Rheingold; Susan Kaderli; Andreas D. Zuberbühler; Kenneth D. Karlin","Tridentate Copper Ligand Influences on Heme-Peroxo-Copper Formation and Properties: Reduced, Superoxo, and μ-Peroxo Iron/Copper Complexes","Inorganic Chemistry","2005","44","","7014","7029","10.1021/ic050446m","","","0.71073","MoKα","","0.0731","0.0445","","","0.1023","0.1148","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309878","25.626","0.009","60.07","0.02","15.614","0.005","90","","90","","90","","24035","14","296","2","296","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C12 H10 Cl2 Cs2 K4 N12 O5 Te14 W6 -","- C12 Cl2 Cs2 K4 N12 O5 Te14 W6 -","- C192 Cl32 Cs32 K64 N192 O80 Te224 W96 -","16","1","","Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin","Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family","Inorganic Chemistry","2005","44","","8116","8124","10.1021/ic050962c","","","0.71073","MoKα","","0.1161","0.0544","","","0.1173","0.1304","","","","","","0.846","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310659","29.702","0.006","15.845","0.003","17.87","0.004","90","","90","","90","","8410","3","293","2","293","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C26 H24 Ag Cr2 F12 K O16 P2 -","- C26 H24 Ag Cr2 F12 K O16 P2 -","- C208 H192 Ag8 Cr16 F96 K8 O128 P16 -","8","0.5","","Berthold Hoge; Christoph Thösen; Tobias Herrmann; Ashwani Vij","Preparation and Characterization of the Argentates: [Ag{P(CF3)2}2]-, [Ag{(μ-P(CF3)2)M(CO)5}2]- (M = Cr, W), and [Ag{(μ-P(C6F5)2)W(CO)5}2]-: X-ray Crystal Structure of [K(18-crown-6)][Ag{(μ-P(CF3)2)Cr(CO)5}2]","Inorganic Chemistry","2004","43","","1659","1666","10.1021/ic034936v","","","0.71073","MoKα","","0.0362","0.0284","","","0.0529","0.0545","","","","","","1.006","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4311531","20.0896","0.0011","48.224","0.003","7.8432","0.0004","90","","90","","90","","7598.5","0.7","150","0.2","150","0.2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag Cl N6 O4.5 -","- C14.5 H18 Ag Cl N6 O4.5 -","- C232 H288 Ag16 Cl16 N96 O72 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0273","0.0257","","","0.0576","0.058","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311532","20.7255","0.0011","46.166","0.002","8.4332","0.0004","90","","90","","90","","8069","0.7","150","0.2","150","0.2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag F6 N6 O0.5 P -","- C14.5 H16 Ag F6 N6 O0.5 P -","- C232 H256 Ag16 F96 N96 O8 P16 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0307","0.0295","","","0.0735","0.074","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311533","21.5481","0.0011","45.196","0.002","8.7331","0.0004","90","","90","","90","","8505.1","0.7","150","0.2","150","0.2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag F6 N6 O0.5 Sb -","- C14.5 H18 Ag F6 N6 O0.5 Sb -","- C232 H288 Ag16 F96 N96 O8 Sb16 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0427","0.0385","","","0.0898","0.0916","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311534","19.8897","0.0011","48.358","0.003","7.7491","0.0005","90","","90","","90","","7453.3","0.8","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag B F4 N6 O0.5 -","- C14.5 H18 Ag B F4 N6 O0.5 -","- C232 H288 Ag16 B16 F64 N96 O8 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0238","0.0232","","","0.0564","0.0567","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311769","8.7501","0.0006","31.678","0.002","10.775","0.0007","90","","90","","90","","2986.7","0.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H16 N2 O2 Pb S2 -","- C14 H16 N2 O2 Pb S2 -","- C112 H128 N16 O16 Pb8 S16 -","8","0.5","","Jana A. Lewis; Seth M. Cohen","Addressing Lead Toxicity: Complexation of Lead(II) with Thiopyrone and Hydroxypyridinethione O,S Mixed Chelators","Inorganic Chemistry","2004","43","","6534","6536","10.1021/ic0493696","","","0.71073","MoKα","","0.0271","0.0261","","","0.0673","0.068","","","","","","1.097","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4311823","14.956","0.007","23.671","0.009","9.026","0.004","90","","90","","90","","3195","2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H16 Cl2 Fe2 N2 O11 -","- C6 Cl2 Fe2 N2 O11 -","- C48 Cl16 Fe16 N16 O88 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Teresa F. Mastropietro; Davide M. Proserpio; Miguel Julve; Francesc Lloret","The Cation as a Tool to Get Spin-Canted Three-Dimensional Iron(III) Networks","Inorganic Chemistry","2004","43","","5177","5179","10.1021/ic049345z","","","0.71073","MoKα","","0.0749","0.0611","","","0.1582","0.1648","","","","","","1.168","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311824","14.963","0.005","23.345","0.008","9.317","0.003","90","","90","","90","","3254.5","1.9","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H20 Cl2 Fe2 N2 O11 -","- C4 Cl2 Fe2 O9 -","- C32 Cl16 Fe16 O72 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Teresa F. Mastropietro; Davide M. Proserpio; Miguel Julve; Francesc Lloret","The Cation as a Tool to Get Spin-Canted Three-Dimensional Iron(III) Networks","Inorganic Chemistry","2004","43","","5177","5179","10.1021/ic049345z","","","0.71073","MoKα","","0.113","0.0767","","0.1917","0.175","","","","0.909","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311825","14.779","0.0007","23.754","0.0011","9.1747","0.0004","90","","90","","90","","3220.9","0.3","293","2","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H20 Cl2 Fe2 N2 O11 -","- C8 Cl2 Fe2 N2 O11 -","- C64 Cl16 Fe16 N16 O88 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Teresa F. Mastropietro; Davide M. Proserpio; Miguel Julve; Francesc Lloret","The Cation as a Tool to Get Spin-Canted Three-Dimensional Iron(III) Networks","Inorganic Chemistry","2004","43","","5177","5179","10.1021/ic049345z","","","","MoKα","","0.0331","0.0297","","","0.0844","0.0861","","","","","","1.06","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311906","35.666","0.007","41.898","0.008","4.1881","0.0008","90","","90","","90","","6258","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H8 Cu3 I3 N2 -","- C10 H8 Cu3 I3 N2 -","- C160 H128 Cu48 I48 N32 -","16","1","","Guanghua Li; Zhan Shi; Xiaomin Liu; Zhimin Dai; Shouhua Feng","Low-Dimensional Hybrid Copper Halides with Novel D6R Cu6I6 Cores","Inorganic Chemistry","2004","43","","6884","6886","10.1021/ic049164x","","","0.71073","MoKα","","0.0466","0.0329","","","0.0714","0.0764","","","","","","0.953","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4312112","31.7631","0.0007","16.6091","0.0004","6.8574","0.0001","90","","90","","90","","3617.67","0.13","173","2","173","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C14 H26 Cl2 Fe N6 -","- C14 H26 Cl2 Fe N6 -","- C112 H208 Cl16 Fe8 N48 -","8","0.5","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0218","0.0204","","","0.0492","0.0498","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312403","23.129","0.006","35.387","0.006","12.513","0.004","90","","90","","90","","10241","5","293.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H34 Fe N10 O3.5 -","- C21 H27 Fe N10 O3.5 -","- C336 H432 Fe16 N160 O56 -","16","1","","Yuichi Ikuta; Makoto Ooidemizu; Yuichi Yamahata; Masahiro Yamada; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Yukinari Sunatsuki; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues","A New Family of Spin Crossover Complexes with a Tripod Ligand Containing Three Imidazoles: Synthesis, Characterization, and Magnetic Properties of [FeIIH3LMe](NO3)2.1.5H2O, [FeIIILMe].3.5H2O, [FeIIH3LMe][FeIILMe]NO3, and [FeIIH3LMe][FeIIILMe](NO3)2 (H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)","Inorganic Chemistry","2003","42","","7001","7017","10.1021/ic034495f","","","0.7107","MoKα","","","0.063","","","","0.081","","","","","","0.796","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312763","28.064","0.003","48.112","0.005","15.996","0.002","90","","90","","90","","21598","4","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C39 H65.5 B2 Cu2 F8 N10.5 O2 -","- C39 H65.5 B2 Cu2 F8 N10.5 O2 -","- C624 H1048 B32 Cu32 F128 N168 O32 -","16","1","","Lorenzo Tei; Massimiliano Arca; M. Carla Aragoni; Andrea Bencini; Alexander J. Blake; Claudia Caltagirone; Francesco A. Devillanova; Patrizia Fornasari; Alessandra Garau; Francesco Isaia; Vito Lippolis; Martin Schröder; Simon J. Teat; Barbara Valtancoli","Coordination Chemistry of a New Cofacial Binucleating Macropolycycle Derived from 1,4,7-Triazacyclononane","Inorganic Chemistry","2003","42","","8690","8701","10.1021/ic0345065","","","0.6861","synchrotron","","0.0903","0.0766","","","0.202","0.218","","","","","","1.07","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313008","37.414","0.008","40.172","0.007","9.9872","0.0013","90","","90","","90","","15011","5","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","trans(P,P)-[Ru(bpy)(Me~2~Pqn)~2~](PF~6~)~2~","trans(P,P)-(2,2'-bipyridyl)bis(8-dimethylphosphinoquinoline)ruthenium(II) Bis(hexafluorophosphate)","","- C32 H32 F12 N4 P4 Ru -","- C32 H32 F12 N4 P4 Ru -","- C512 H512 F192 N64 P64 Ru16 -","16","1","","Takayoshi Suzuki; Takashi Kuchiyama; Shinobu Kishi; Sumio Kaizaki; Hideo D. Takagi; Masako Kato","Ruthenium(II) Complexes Containing 8-(Dimethylphosphino)quinoline (Me2Pqn): Preparation, Crystal Structures, and Electrochemical and Spectroscopic Properties of [Ru(bpy or phen)3-n(Me2Pqn)n](PF6)2(bpy = 2,2'-Bipyridine; phen = 1,10-Phenanthroline; n= 1, 2, or 3)","Inorganic Chemistry","2003","42","","785","795","10.1021/ic020344l","","","0.71069","MoKα","","0.1053","0.0388","","","0.0991","0.1187","","","","","","1.002","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313027","39.719","0.005","46.895","0.007","12.5159","0.0018","90","","90","","90","","23312","6","218","2","218","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C57 H74 B2 Co N12 -","- C57 H69 B2 Co N12 -","- C912 H1104 B32 Co16 N192 -","16","1","","Arnold L. Rheingold; Lev. N. Zakharov; Swiatoslaw Trofimenko","The Effect of a 3-Benzyl Group on the Coordination Chemistry of Homoscorpionate Ligands","Inorganic Chemistry","2003","42","","827","833","10.1021/ic0205280","","","0.71073","MoKα","","0.0913","0.0811","","","0.195","0.2004","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4314000","29.419","0.002","11.8121","0.0008","17.7672","0.0013","90","","90","","90","","6174.1","0.7","293","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H24 Cl2 N10 Zn2 -","- C32 H24 Cl2 N10 Zn2 -","- C256 H192 Cl16 N80 Zn16 -","8","0.5","","Srijit Das; Chen-Hsiung Hung; Sreebrata Goswami","Syntheses and Structures of Zwitterionic Indium(III) and Di-zinc Compounds of an Extended Nitrogenous Ligand. Examples of Unusually Long Wavelength Transitions in d10-Metal Complexes","Inorganic Chemistry","2003","42","","5153","5157","10.1021/ic030009c","","","0.71073","MoKα","","0.0578","0.046","","","0.1138","0.1193","","","","","","0.981","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314528","13.8825","0.0011","38.28","0.003","8.3526","0.0007","90","","90","","90","","4438.8","0.6","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H30 Cl2 N4 Ni O10 -","- C14 H30 Cl2 N4 Ni O10 -","- C112 H240 Cl16 N32 Ni8 O80 -","8","0.5","","Oindrila Das; N. N. Adarsh; Ankan Paul; Tapan Kanti Paine","Copper(II) and Nickel(II) Complexes of β-Aminoketoxime Ligand: Syntheses, Crystal Structures, Magnetism, and Nickel(II) Templated Coupling of Oxime with Nitrile","Inorganic Chemistry","2010","49","","541","551","10.1021/ic901614p","","","0.71073","MoKα","","0.0595","0.0514","","","0.1311","0.1362","","","","","","1.037","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4316284","12.7796","0.0005","27.5987","0.0009","49.8342","0.0017","90","","90","","90","","17576.5","1.1","150","2","150","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C88 H64 Br2 Fe N12 O6 -","- C88 H64 Br2 Fe N12 O6 -","- C704 H512 Br16 Fe8 N96 O48 -","8","0.5","","Hijazi, Ismail; Roisnel, Thierry; Even-Hernandez, Pascale; Geneste, Florence; Cador, Olivier; Guizouarn, Thierry; Boitrel, Bernard","Structural Characterization of Zinc and Iron (II/III) Complexes of a Porphyrin Bearing Two Built-in Nitrogen Bases. An Example of High-Spin Diaqua-Iron(III) Bromo Complex","Inorganic Chemistry","2010","49","16","7536","7544","10.1021/ic1009384","","x-ray","0.71073","MoKα","","0.1422","0.0792","","","0.2004","0.2249","","","","","","0.949","","","","has coordinates","210347","2020-10-21","18:00:00",""
"4316587","31.496","0.002","39.922","0.002","15.062","0.002","90","","90","","90","","18939","3","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C76 H96 Cu4 F12 N24 O16 S4 -","- C76 H96 Cu4 F12 N24 O16 S4 -","- C608 H768 Cu32 F96 N192 O128 S32 -","8","0.5","","M. Isabel Ortiz; M. Laura Soriano; M. Pilar Carranza; Félix A. Jalón; Jonathan W. Steed; Kurt Mereiter; Ana M. Rodríguez; David Quiñonero; Pere M. Deyà; Blanca R. Manzano","New [2 x 2] Copper(I) Grids as Anion Receptors. Effect of Ligand Functionalization on the Ability to Host Counteranions by Hydrogen Bonds","Inorganic Chemistry","2010","49","","8828","8847","10.1021/ic1009913","","","0.71073","MoKα","","0.105","0.0548","","","0.1086","0.128","","","","","","0.954","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316754","10.1937","0.0015","12.89","0.003","20.425","0.004","90","","90","","90","","2683.8","0.9","95","2","95","2","","","","","","","synthetical product","4","F d d 2","F 2 -2d","43","","2,3,5,6-Tetrafluoro-benzoic acid","","- C7 H2 F4 O2 -","- C7 H2 F4 O2 -","- C112 H32 F64 O32 -","16","1","","Andreas Orthaber; Christiane Seidel; Ferdinand Belaj; Jörg H. Albering; Rudolf Pietschnig; Uwe Ruschewitz","Optimized Synthesis of Tetrafluoroterephthalic Acid: A Versatile Linking Ligand for the Construction of New Coordination Polymers and Metal-Organic Frameworks","Inorganic Chemistry","2010","49","","9350","9357","10.1021/ic1009829","","","0.71069","MoKα","","0.0275","0.0254","","","0.0609","0.0627","","","","","","1.067","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316905","28.708","0.008","29.606","0.009","3.6835","0.0011","90","","90","","90","","3130.7","1.6","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","Ag(DCO)","Silver(I) N,N'-dimethylamino(2-nitroso-2-cyano)acetamide'","","- C5 H6 Ag N3 O2 -","- C5 H6 Ag N3 O2 -","- C80 H96 Ag16 N48 O32 -","16","1","","Nikolay Gerasimchuk; Andrzej Gamian; Garrett Glover; Bogumila Szponar","Light Insensitive Silver(I) Cyanoximates As Antimicrobial Agents for Indwelling Medical Devices","Inorganic Chemistry","2010","49","","9863","9874","10.1021/ic100830x","","","0.71073","MoKα","","0.0232","0.0193","","","0.0392","0.0404","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317146","39.364","0.003","48.759","0.004","9.4875","0.0008","90","","90","","90","","18210","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C94 H98 Co Fe2 N10 O28 -","- C94 H98 Co Fe2 N10 O28 -","- C752 H784 Co8 Fe16 N80 O224 -","8","0.5","","Elena Cariati; Renato Ugo; Giuseppe Santoro; Elisa Tordin; Lorenzo Sorace; Andrea Caneschi; Angelo Sironi; Piero Macchi; Nicola Casati","Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains","Inorganic Chemistry","2010","49","","10894","10901","10.1021/ic1013076","","","0.71069","MoKα","","0.2095","0.0924","","","0.2127","0.2801","","","","","","0.977","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317853","31.271","0.003","12.9341","0.0015","14.6252","0.0015","90","","90","","90","","5915.3","1.1","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C21 H21 F6 N5 O11 S2 V -","- C21 H19 F6 N5 O11 S2 V -","- C168 H152 F48 N40 O88 S16 V8 -","8","0.5","","Shyamali Ghosh; Kausik K. Nanda; Anthony W. Addison; Raymond J. Butcher","Mononuclear and Mixed-Valence Binuclear Oxovanadium Complexes with Benzimidazole-Derived Chelating Agents","Inorganic Chemistry","2002","41","","2243","2249","10.1021/ic010945x","","","0.71073","MoKα","","0.0551","0.0425","","0.1128","0.1035","","","","1.061","1.078","1.078","","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4317878","14.956","0.007","23.671","0.009","9.026","0.004","90","","90","","90","","3195","2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C4 H12 Cl2 Fe2 N2 O11 -","- C4 Cl2 Fe2 N2 O11 -","- C32 Cl16 Fe16 N16 O88 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Francesc Lloret; Andrei V. Palii; Miguel Julve","Novel Chiral Three-Dimensional Iron(III) Compound Exhibiting Magnetic Ordering at Tc= 40 K","Inorganic Chemistry","2002","41","","2007","2013","10.1021/ic011100o","","","0.71073","MoKα","","0.0556","0.0532","","","0.1474","0.1507","","","","","","1.159","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4317984","13.356","0.007","45.544","0.024","4.867","0.003","90","","90","","90","","2961","3","193","2","193","2","","","","","","","original synthesis","5","F d d 2","F 2 -2d","43","","","","- Ba3 H4 I2 Mo2 O18 -","- Ba3 I2 Mo2 O18 -","- Ba24 I16 Mo16 O144 -","8","0.5","","Richard E. Sykora; Daniel M. Wells; Thomas E. Albrecht-Schmitt","Further Evidence for the Tetraoxoiodate(V) Anion, IO43-: Hydrothermal Syntheses and Structures of Ba[(MoO2)6(IO4)2O4].H2O and Ba3[(MoO2)2(IO6)2].2H2O","Inorganic Chemistry","2002","41","","2697","2703","10.1021/ic0112746","","","0.71073","MoKα","","0.0415","0.0367","","0.0758","0.0747","","","","0.987","1.033","1.033","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318645","16.3695","0.0004","55.4983","0.0009","13.868","0.0003","90","","90","","90","","12598.8","0.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C60 H62 Mn2 N4 O13 P4 -","- C60 H60 Mn2 N4 O13 P4 -","- C480 H480 Mn16 N32 O104 P32 -","8","0.5","","Ponnaiyan Ayyappan; Owen R. Evans; Yong Cui; Kraig A. Wheeler; Wenbin Lin","Nonlinear Optically Active Polymeric Coordination Networks Based on Metalm-Pyridylphosphonates","Inorganic Chemistry","2002","41","","4978","4980","10.1021/ic025819n","","","0.71073","MoKα","","0.0775","0.0582","","","0.1387","0.1486","","","","","","1.035","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318646","16.224","0.001","54.869","0.003","13.801","","90","","90","","90","","12285.6","1","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C60 H62 Co2 N4 O13 P4 -","- C60 H60 Co2 N4 O13 P4 -","- C480 H480 Co16 N32 O104 P32 -","8","0.5","","Ponnaiyan Ayyappan; Owen R. Evans; Yong Cui; Kraig A. Wheeler; Wenbin Lin","Nonlinear Optically Active Polymeric Coordination Networks Based on Metalm-Pyridylphosphonates","Inorganic Chemistry","2002","41","","4978","4980","10.1021/ic025819n","","","0.71073","MoKα","","0.1001","0.058","","","0.111","0.1268","","","","","","1.042","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318647","16.1105","0.0016","54.694","0.006","13.8204","0.0013","90","","90","","90","","12178","2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C60 H62 N4 Ni2 O13 P4 -","- C60 H60 N4 Ni2 O13 P4 -","- C480 H480 N32 Ni16 O104 P32 -","8","0.5","","Ponnaiyan Ayyappan; Owen R. Evans; Yong Cui; Kraig A. Wheeler; Wenbin Lin","Nonlinear Optically Active Polymeric Coordination Networks Based on Metalm-Pyridylphosphonates","Inorganic Chemistry","2002","41","","4978","4980","10.1021/ic025819n","","","0.71073","MoKα","","0.0623","0.0477","","","0.1048","0.1119","","","","","","1.123","","","","has coordinates","179266","2020-10-21","18:00:00",""
"4318661","25.489","0.004","33.435","0.004","9.3716","0.0009","90","","90","","90","","7986.7","1.8","293","2","293","2","","","","","","","synthetic","6","F d d 2","F 2 -2d","43","[(salen)(chloro)(nitrosyl) ruthenium (II)]","[{bis(salicylaldehyde)ethylenediiminato}(chloro)(nitrosyl)ruthenium(II)]","","- C17 H16 Cl3 N3 O3 Ru -","- C17 H16 Cl3 N3 O3 Ru -","- C272 H256 Cl48 N48 O48 Ru16 -","16","1","","Jeane Bordini; David L. Hughes; Joaquim Delphino Da Motta Neto; Carlos Jorge da Cunha","Nitric Oxide Photorelease from Ruthenium Salen Complexes in Aqueous and Organic Solutions","Inorganic Chemistry","2002","41","","5410","5416","10.1021/ic011273d","","","0.71069","Mo-Kα","","0.0666","0.0399","","","0.0629","0.0745","","","","1.089","1.089","1.042","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4318897","27.827","0.002","33.959","0.003","9.4488","0.0007","90","","90","","90","","8928.9","1.2","190","2","190","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C33 H26 Cl4 Mn4 O15 P2 S2 -","- C66 H52 Cl8 Mn8 O30 P4 S4 -","- C264 H208 Cl32 Mn32 O120 P16 S16 -","4","0.25","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Disulfides of Manganese Carbonyl. Synthesis of Mn2(CO)7(μ-S2) and Its Reactions with Tertiary Phosphines and Arsines","Inorganic Chemistry","2002","41","","6281","6290","10.1021/ic0203670","","","0.71073","MoKα","","0.0574","0.0504","","","0.1331","0.1372","","","","","","1.045","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4319057","38.962","0.008","11.545","0.002","30.889","0.006","90","","90","","90","","13894","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H16 Fe N6 S4 -","- C18 H16 Fe N6 S4 -","- C432 H384 Fe24 N144 S96 -","24","1.5","","Nicolás Moliner; M. Carmen Muñoz; Sylvie Létard; Lionel Salmon; Jean-Pierre Tuchagues; Azzedine Bousseksou; José Antonio Real","Mass Effect on the Equienergetic High-Spin/Low-Spin States of Spin-Crossover in 4,4'-Bipyridine-Bridged Iron(II) Polymeric Compounds: Synthesis, Structure, and Magnetic, Mössbauer, and Theoretical Studies","Inorganic Chemistry","2002","41","","6997","7005","10.1021/ic0203825","","","0.71073","MoKα","","0.0599","0.0389","","","0.0999","0.1291","","","","","","0.989","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319088","26.3233","0.0019","26.9947","0.0019","7.9574","0.0006","90","","90","","90","","5654.4","0.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","bis-triethyl ammonium salt of oxovanadium(IV) bis-benzenedithiolate","","","- C24 H40 N2 O S4 V -","- C24 H40 N2 O S4 V -","- C192 H320 N16 O8 S32 V8 -","8","0.5","","J. Jon A. Cooney; Michael D. Carducci; Anne E. McElhaney; Hugh D. Selby; John H. Enemark","New Oxovanadium Bis(1,2-dithiolate) Compounds That Mimic the Hydrogen-Bonding Interactions at the Active Sites of Mononuclear Molybdenum Enzymes","Inorganic Chemistry","2002","41","","7086","7093","10.1021/ic025856e","","","0.71073","MoKα","","0.1073","0.0466","","","0.0977","0.1117","","","","","","0.864","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319089","27.48","0.009","27.749","0.009","7.847","0.002","90","","90","","90","","5984","3","110","2","110","2","","","","","","","","6","F d d 2","F 2 -2d","43","bis-triethyl ammonium salt of oxovanadium bis-4-methyl-1,2-benzenedithiolate","","","- C26 H44 N2 O S4 V -","- C26 H44 N2 O S4 V -","- C208 H352 N16 O8 S32 V8 -","8","0.5","","J. Jon A. Cooney; Michael D. Carducci; Anne E. McElhaney; Hugh D. Selby; John H. Enemark","New Oxovanadium Bis(1,2-dithiolate) Compounds That Mimic the Hydrogen-Bonding Interactions at the Active Sites of Mononuclear Molybdenum Enzymes","Inorganic Chemistry","2002","41","","7086","7093","10.1021/ic025856e","","","0.71073","MoKα","","0.0554","0.0421","","","0.0926","0.0993","","","","","","1.053","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4319415","14.1627","0.0007","24.299","0.001","30.991","0.002","90","","90","","90","","10665.2","1","213","2","213","2","","","","","","","synthesis","5","F d d 2","F 2 -2d","43","","","","- C56 H48 Co3 N14 S2 -","- C54 H32 Co3 N14 S2 -","- C432 H256 Co24 N112 S16 -","8","0.5","","Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang","Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands","Inorganic Chemistry","2001","40","","1265","1270","10.1021/ic001069a","","","0.71073","MoKα","","0.0817","0.0554","","0.1445","0.1299","","","","1.14","1.16","1.16","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00",""
"4319476","29.679","0.006","31.409","0.006","7.366","0.0015","90","","90","","90","","6866","2","100","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Ru2(O2CCH3)4{C(CN)3}]","","","- C12 H12 N3 O8 Ru2 -","- C48 H48 N12 O32 Ru8 -","- C192 H192 N48 O128 Ru32 -","4","0.25","","Hitoshi Miyasaka; Rodolphe Clérac; Cristian S. Campos-Fernández; Kim R. Dunbar","Metal-Metal Bonded Diruthenium(II, III) Assemblies with the Polycyano Anionic Linkers N(CN)2-, C(CN)3-, and 1,4-Dicyanamido-2,5-dimethylbenzene (DM-Dicyd2-): Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2001","40","","1663","1671","10.1021/ic001183t","","","0.71073","MoKα","","0.0322","0.0314","","","0.0781","0.0784","","","","","","1.174","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4320021","35.322","0.002","35.523","0.002","9.5404","0.0006","90","","90","","90","","11970.8","1.2","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","[Tris(tert-butyl-thioimidazolyl)borato-zinc-chloride]","","- C23 H37 B Cl N7 S3 Zn -","- C22 H34 B Cl N6.5 S3 Zn -","- C352 H544 B16 Cl16 N104 S48 Zn16 -","16","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.0504","0.0368","","","0.1008","0.1474","","","","","","1.046","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320052","18.908","0.008","26.355","0.008","4.971","0.002","90","","90","","90","","2477.2","1.6","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H10 O6 Sn -","- C12 H10 O6 Sn -","- C96 H80 O48 Sn8 -","8","0.5","","Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright","Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2","Inorganic Chemistry","2001","40","","4384","4388","10.1021/ic0100368","","","0.7107","","","0.0464","0.0434","","","0.106","0.1084","","","","","","1.071","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4320217","24.309","0.004","20.528","0.004","21.72","0.004","90","","90","","90","","10839","3","213","2","213","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H37 N O S5 W -","- C22 H36.5 N O S5 W -","- C352 H584 N16 O16 S80 W16 -","16","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0321","0.0311","","","0.0798","0.0804","","","","","","0.953","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4320293","46.011","0.005","57.883","0.005","19.405","0.002","90","","90","","90","","51680","9","177","2","177","2","","","","","","","synthetic","6","F d d 2","F 2 -2d","43","","","","- C236 H236 Ga4 K4 N19 O36 -","- C222 H113 Ga4 K6 N15 O47 -","- C1776 H904 Ga32 K48 N120 O376 -","8","0.5","","Darren W. Johnson; Kenneth N. Raymond","The Self-Assembly of a [Ga4L6]12- Tetrahedral Cluster Thermodynamically Driven by Host-Guest Interactions","Inorganic Chemistry","2001","40","","5157","5161","10.1021/ic0102283","","","0.71073","MoKα","","0.1658","0.124","","","0.3199","0.3549","","","","","","1.386","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320362","27.827","0.002","33.959","0.003","9.4488","0.0007","90","","90","","90","","8928.9","1.2","190","2","190","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C33 H26 Cl4 Mn4 O15 P2 S2 -","- C33 H26 Cl4 Mn4 O15 P2 S2 -","- C264 H208 Cl32 Mn32 O120 P16 S16 -","8","0.5","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl","Inorganic Chemistry","2001","40","","5322","5323","10.1021/ic010619h","","","0.71073","MoKα","","0.0574","0.0504","","","0.1331","0.1372","","","","","","1.045","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4320424","20.7685","0.0003","14.2301","0.0003","16.979","0.0004","90","","90","","90","","5017.94","0.17","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H36 N2 O4 Ti -","- C24 H36 N2 O4 Ti -","- C192 H288 N16 O32 Ti8 -","8","0.5","","Jaume Balsells; Patrick J. Carroll; Patrick J. Walsh","Achiral Tetrahydrosalen Ligands for the Synthesis of C2-Symmetric Titanium Complexes: A Structure and Diastereoselectivity Study","Inorganic Chemistry","2001","40","","5568","5574","10.1021/ic010456x","","","0.71069","MoKα","","0.0323","0.0315","","0.0791","0.0784","","","","1.053","1.055","1.055","","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320931","20.2467","0.0001","41.775","0.0004","13.6175","0.0002","90","","90","","90","","11517.8","0.2","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C44 H96 Cu2 F6 O8 P4 S2 -","- C46 H76 Cu2 F6 O6 P4 S2 -","- C368 H608 Cu16 F48 O48 P32 S16 -","8","0.5","","Bernd F. Straub; Frank Rominger; Peter Hofmann","A Trigonal Planar μ3-Fluorido Coinage Metal Complex from a Dicationic (Diphosphinomethane)copper(I) Dimer: Syntheses, Structures, and Bonding","Inorganic Chemistry","2000","39","","2113","2119","10.1021/ic991173w","","","0.71073","MoKα","","0.0316","0.0297","","","0.073","0.074","","","","","","1.048","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321632","43.505","0.004","10.441","0.001","13.711","0.001","90","","90","","90","","6228","0.9","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H44 Cu N12 O18 -","- C18 H44 Cu N12 O18 -","- C144 H352 Cu8 N96 O144 -","8","0.5","","Paul S. Donnelly; Jack M. Harrowfield; Brian W. Skelton; Allan H. White","Carboxymethylation of Cage Amines: Control of Alkylation by Metal Ion Coordination","Inorganic Chemistry","2000","39","","5817","5830","10.1021/ic000346a","","","0.71073","MoKα","","0.085","0.05","","0.055","","0.048","","","1.553","","","1.702","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4322457","28.527","0.003","10.8575","0.001","11.3185","0.001","90","","90","","90","","3505.7","0.6","193","","193","","","","","","","","","5","F d d 2","F 2 -2d","43","","Lithium tetrahydrdioborate-2-Collidine","","- C16 H26 B Li N2 -","- C16 H26 B Li N2 -","- C128 H208 B8 Li8 N16 -","8","0.5","","Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold","Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate","Inorganic Chemistry","1999","38","","4188","4196","10.1021/ic990205c","","","0.71073","MoKα","","0.0676","0.0502","","","0.1102","0.1211","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322690","24.679","0.007","25.126","0.002","17.958","0.002","90","","90","","90","","11135","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Me5CpMo)2B5H9Fe(CO)3","","- C23 H39 B5 Fe Mo2 O3 -","- C23 H39 B5 Fe Mo2 O3 -","- C368 H624 B80 Fe16 Mo32 O48 -","16","1","","Simon Aldridge; Hisako Hashimoto; Kazumori Kawamura; Maoyu Shang; Thomas P. Fehlner","Cluster Expansion Reactions of Group 6 Metallaboranes. Syntheses, Crystal Structures, and Spectroscopic Characterizations of (Cp*Cr)2B5H9, (Cp*Cr)2B4H8Fe(CO)3, (Cp*Cr)2B4H7Co(CO)3, and (Cp*Mo)2B5H9Fe(CO)3","Inorganic Chemistry","1998","37","","928","940","10.1021/ic971251k","","","0.71073","MoKα","","0.0406","0.039","","0.1009","0.0994","","","","1.168","1.173","1.173","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4324640","25.498","0.005","30.011","0.006","44.331","0.009","90","","90","","90","","33923","12","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C78 H62 N12 O22 Zn3 -","- C78 H60 N12 O21 Zn3 -","- C1248 H960 N192 O336 Zn48 -","16","1","","Jinsong Hu; Liangfang Huang; Xiaoqiang Yao; Ling Qin; Yizhi Li; Zijian Guo; Hegen Zheng; Ziling Xue","Six New Metal-Organic Frameworks Based on Polycarboxylate Acids and V-shaped Imidazole-Based Synthon: Syntheses, Crystal Structures, and Properties","Inorganic Chemistry","2011","50","","2404","2414","10.1021/ic102207n","","","0.71073","MoKα","","0.0881","0.0749","","","0.1824","0.1916","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324976","40.8442","0.0012","60.1041","0.0018","6.9411","0.0002","90","","90","","90","","17039.7","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C73 H22 F64 N8 O6 V -","- C73 H22 F64 N8 O6 V -","- C584 H176 F512 N64 O48 V8 -","8","0.5","","Łukasz Łapok; Martin Lener; Olga Tsaryova; Stefanie Nagel; Christopher Keil; Robert Gerdes; Derck Schlettwein; Sergiu M. Gorun","Structures and Redox Characteristics of Electron-Deficient Vanadyl Phthalocyanines","Inorganic Chemistry","2011","50","","4086","4091","10.1021/ic2000365","","","1.54178","CuKα","","0.0793","0.0764","","","0.2176","0.2216","","","","","","1.001","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4325300","33.2559","0.0008","24.4116","0.0006","11.1014","0.0002","90","","90","","90","","9012.4","0.3","293","2","293","2","","","","","","","synthesis","5","F d d 2","F 2 -2d","43","","","","- C13 H20 Cl2 N2 Ru -","- C13 H20 Cl2 N2 Ru -","- C312 H480 Cl48 N48 Ru24 -","24","1.5","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","1.54184","CuKα","","0.0443","0.0426","","","0.115","0.1166","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325878","36.285","0.015","37.132","0.014","9.665","0.004","90","","90","","90","","13022","9","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H54 Cd6 N16 O31 S2 -","- C50 H40 Cd6 N16 O31 S2 -","- C400 H320 Cd48 N128 O248 S16 -","8","0.5","","Qilong Zhu; Tianlu Sheng; Chunhong Tan; Shengmin Hu; Ruibiao Fu; Xintao Wu","Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism","Inorganic Chemistry","2011","50","","7618","7624","10.1021/ic200640g","","","0.71073","MoKα","","0.049","0.0425","","","0.0934","0.098","","","","","","1.112","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4326126","33.7046","0.0011","38.9594","0.0013","10.2939","0.0004","90","","90","","90","","13517","0.8","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C31 H36 Cl2 Fe N2 O4 Si -","- C31 H36 Cl2 Fe N2 O4 Si -","- C496 H576 Cl32 Fe16 N32 O64 Si16 -","16","1","","Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Pröpper; Julian J. Holstein; Birger Dittrich; Herbert W. Roesky","N-Heterocyclic Carbene Stabilized Dichlorosilylene Transition-Metal Complexes of V(I), Co(I), and Fe(0)","Inorganic Chemistry","2011","50","","8502","8508","10.1021/ic201096c","","","1.54178","CuKα","","0.067","0.052","","","","0.06","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326309","25.85847","0.00001","50.00278","0.0001","11.81363","0.00002","90","","90","","90","","15275","0.04","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H34 F6 Fe N12 O10 S2 -","- C30 H34 F6 Fe N12 O10 S2 -","- C480 H544 F96 Fe16 N192 O160 S32 -","16","1","","Pieter C. A. Bruijnincx; Inge L. C. Buurmans; Yuxing Huang; Gergely Juhász; Marta Viciano-Chumillas; Manuel Quesada; Jan Reedijk; Martin Lutz; Anthony L. Spek; Eckard Münck; Emile L. Bominaar; Robertus J. M. Klein Gebbink","Mono- and Dinuclear Iron Complexes of Bis(1-methylimidazol-2-yl)ketone (bik): Structure, Magnetic Properties, and Catalytic Oxidation Studies","Inorganic Chemistry","2011","50","","9243","9255","10.1021/ic200332y","","","0.71073","MoKα","","0.0357","0.0278","","","0.0593","0.0624","","","","","","1.033","","","","has coordinates,has disorder","179366","2020-10-21","18:00:00",""
"4326320","13.983","0.002","47.723","0.008","9.4858","0.0015","90","","90","","90","","6330","1.7","198","2","198","2","","","","","","","synthesis as described","7","F d d 2","F 2 -2d","43","","","","- C24 H32 F6 Fe N4 O11 S2 -","- C24 H32 F6 Fe N4 O11 S2 -","- C192 H256 F48 Fe8 N32 O88 S16 -","8","0.5","","Qiao Zhang; John D. Gorden; Ronald J. Beyers; Christian R. Goldsmith","Manganese(II)-Containing MRI Contrast Agent Employing a Neutral and Non-Macrocyclic Ligand","Inorganic Chemistry","2011","50","","9365","9373","10.1021/ic2009495","","x-ray","0.71073","MoKα","","0.0494","0.0409","","","0.0955","0.0998","","","","","","1.018","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4327674","23.472","0.009","59.277","0.013","9.432","0.001","90","","90","","90","","13123","6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30.5 H37 Cl5 N3 P Ru -","- C30.5 H37 Cl5 N3 P Ru -","- C488 H592 Cl80 N48 P16 Ru16 -","16","1","","Rob A. T. M. Abbenhuis; Ignacio del Río; Michel M. Bergshoef; Jaap Boersma; Nora Veldman; Anthony L. Spek; Gerard van Koten","16- and 18-Electron Ruthenium(II) Complexes of the Neutral, Potentially Tridentate Triamine Ligand 2,6-[Bis(dimethylamino)methyl]pyridine (NN'N)","Inorganic Chemistry","1998","37","","1749","1758","10.1021/ic971061+","","","0.71073","MoKa","","0.0875","0.0738","","0.1836","0.1713","","","","1.138","1.16","1.16","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327890","25.161","0.003","12.1579","0.0015","12.8592","0.0016","90","","90","","90","","3933.7","0.8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- O21 Se6 Sr4 V2 -","- O21 Se6 Sr4 V2 -","- O168 Se48 Sr32 V16 -","8","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0583","","","","","","1.088","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327891","25.029","0.002","12.2147","0.001","13.0154","0.001","90","","90","","90","","3979.1","0.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- O21 Pb4 Se6 V2 -","- O21 Pb4 Se6 V2 -","- O168 Pb32 Se48 V16 -","8","0.5","","Jeongho Yeon; Sang-Hwan Kim; Sau Doan Nguyen; Hana Lee; P. Shiv Halasyamani","New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)","Inorganic Chemistry","2012","51","","609","619","10.1021/ic2021403","","","0.71073","MoKα","","0.0296","0.0279","","","0.0679","0.0685","","","","","","1.019","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327985","23.8824","0.0004","26.0265","0.0005","11.4433","0.0002","90","","90","","90","","7112.9","0.2","150","","150","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C8 H17 Cl4 N Na O2.5 Ru S -","- C8 H17 Cl4 N Na O2.5 Ru S -","- C128 H272 Cl64 N16 Na16 O40 Ru16 S16 -","16","1","","Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby","Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin","Inorganic Chemistry","2012","51","","954","966","10.1021/ic202029e","","","0.71073","MoKα","","0.0437","0.0398","","0.0567","0.0559","0.0559","","","","","","1.8772","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328021","12.501","0.003","23.683","0.005","7.1196","0.0014","90","","90","","90","","2107.8","0.8","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga Ge2 Li Se6 -","- Ga Ge2 Li Se6 -","- Ga8 Ge16 Li8 Se48 -","8","0.5","","Dajiang Mei; Wenlong Yin; Kai Feng; Zheshuai Lin; Lei Bai; Jiyong Yao; Yicheng Wu","LiGaGe2Se6: A New IR Nonlinear Optical Material with Low Melting Point","Inorganic Chemistry","2012","51","","1035","1040","10.1021/ic202202j","","","0.71073","MoKα","","0.0426","0.0373","","","0.0673","0.0689","","","","","","0.904","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328507","19.395","0.002","25.618","0.002","10.262","0.002","90","","90","","90","","5098.8","1.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","hexacarbonylbis(μ-pentafluorophenolato)(μ-pyridazine-κN1:κN2)dirhenium","","- C22 H4 F10 N2 O8 Re2 -","- C22 H4 F10 N2 O8 Re2 -","- C176 H32 F80 N16 O64 Re16 -","8","0.5","","Alessio Raimondi; Monica Panigati; Daniela Maggioni; Laura D'Alfonso; Pierluigi Mercandelli; Patrizia Mussini; Giuseppe D'Alfonso","Electrochemical, Computational, and Photophysical Characterization of New Luminescent Dirhenium-Pyridazine Complexes Containing Bridging OR or SR Anions","Inorganic Chemistry","2012","51","","2966","2975","10.1021/ic202284a","","","0.71073","MoKα","","0.0314","0.0243","","","0.0484","0.0507","","","","","","1.017","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328680","39.443","0.005","56.271","0.007","8.3473","0.0011","90","","90","","90","","18527","4","100","2","100","2","","","","","","","mesitylene","4","F d d 2","F 2 -2d","43","","","","- C30 H22 Cr N6 -","- C30 H22 Cr N6 -","- C960 H704 Cr32 N192 -","32","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0258","0.0243","","","0.0657","0.0666","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328681","39.484","0.006","56.962","0.008","8.3177","0.0012","90","","90","","90","","18707","5","100","2","100","2","","","","","","","Pentadecane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 Mo N6 -","- C30 H22 Mo N6 -","- C960 H704 Mo32 N192 -","32","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0532","0.0349","","","0.0602","0.0659","","","","","","1.03","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328682","39.462","0.004","56.933","0.005","8.2746","0.0008","90","","90","","90","","18590","3","100","2","100","2","","","","","","","n-pentadecane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 W -","- C30 H22 N6 W -","- C960 H704 N192 W32 -","32","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0377","0.0271","","","0.0501","0.0525","","","","","","1.025","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4329010","19.204","0.008","40.15","0.02","9.9","0.004","90","","90","","90","","7633","6","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H54 Li2 N16 Si2 -","- C26 H54 Li2 N16 Si2 -","- C208 H432 Li16 N128 Si16 -","8","0.5","","Meisu Zhou; Xiaoli Qiao; Hongbo Tong; Tao Gong; Mei Fan; Qiaokun Yang; Qingchen Dong; Jianbin Chao; Zhiqiang Guo; Diansheng Liu","From Lithium Bis(trimethylsilyl)amide with Cyanoamine into Triazine Compounds: Synthesis and Structures of Lithium 6-((Trimethylsilyl)amido)-2,4-bis(dimethylamino)[1,3,5]triazines and Their Manganese and Cobalt Complexes","Inorganic Chemistry","2012","51","","4925","4930","10.1021/ic201629a","","","0.71073","MoKα","","0.065","0.0499","","","0.1153","0.1201","","","","","","0.955","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329342","18.995","0.002","30.063","0.003","7.0904","0.0006","90","","90","","90","","4048.9","0.7","180","2","180","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H16 Cd N6 O4 -","- C20 H16 Cd N6 O4 -","- C160 H128 Cd8 N48 O32 -","8","0.5","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0494","0.0478","","","0.128","0.1289","","","","","","1.093","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329552","37.19","0.003","37.996","0.006","13.8041","0.001","90","","90","","90","","19506","4","90","0.5","90","0.5","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C58.81 H42.81 Cl2.44 Co N6 O4 P -","- C58 H42 Co N6 O4 P -","- C928 H672 Co16 N96 O64 P16 -","16","1","","Manuela Stefanelli; Giuseppe Pomarico; Luca Tortora; Sara Nardis; Frank R. Fronczek; Gregory T. McCandless; Kevin M. Smith; Machima Manowong; Yuanyuan Fang; Ping Chen; Karl M. Kadish; Angela Rosa; Giampaolo Ricciardi; Roberto Paolesse","β-Nitro-5,10,15-tritolylcorroles","Inorganic Chemistry","2012","51","","6928","6942","10.1021/ic3007926","","","0.71073","MoKα","","0.0651","0.0594","","","0.1558","0.1608","","","","","","1.043","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329814","45.9586","0.0002","96.6583","0.0012","8.463","0.002","90","","90","","90","","37595","9","133","2","133","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H42 Cl2 N8 Ni4 O12 -","- C45 H42 Cl2 N8 Ni4 O12 -","- C1440 H1344 Cl64 N256 Ni128 O384 -","32","2","","Animesh Das; Felix J. Klinke; Serhiy Demeshko; Steffen Meyer; Sebastian Dechert; Franc Meyer","Reversible Solvatomagnetic Effect in Novel Tetranuclear Cubane-Type Ni4 Complexes and Magnetostructural Correlations for the [Ni4(μ3-O)4] Core","Inorganic Chemistry","2012","51","","8141","8149","10.1021/ic300535d","","","0.71073","MoKα","","0.0792","0.0509","","","0.0787","0.0842","","","","","","1.006","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329823","32.83","0.008","39.87","0.007","11.24","0.003","90","","90","","90","","14712","6","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C35 H54 Cl2 Ge N3 P Rh -","- C35 H54 Cl2 Ge N3 P Rh -","- C560 H864 Cl32 Ge16 N48 P16 Rh16 -","16","1","","Juan Manuel García; Edgar Ocando Mavárez; Tsuyoshi Kato; David Santiago Coll; Alexander Briceño; Nathalie Saffon-Merceron; Antoine Bacereido","Synthesis and Characterization of Rhodium Complexes with Phosphine-Stabilized Germylenes","Inorganic Chemistry","2012","51","","8187","8193","10.1021/ic300600c","","","0.71073","MoKα","","0.043","0.0307","","","0.0692","0.08","","","","","","1.179","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4331000","32.349","0.005","27.916","0.005","18.025","0.005","90","","90","","90","","16278","6","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C152 H112 Br16 N40 O16 Zn12 -","- C152 H112 Br16 N40 O16 Zn12 -","- C608 H448 Br64 N160 O64 Zn48 -","4","0.25","","Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra","Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies","Inorganic Chemistry","2012","51","","12176","12187","10.1021/ic3012958","","","0.71069","MoKα","","0.1004","0.0567","","0.123","0.064","0.064","","","","","","1.0408","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331042","13.084","0.0002","32.191","0.0004","23.151","0.0003","90","","90","","90","","9750.9","0.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","[K(18-crown-6)(THF)2][Mn(2,2'bipy)(C9H11)2]","","- C48 H70 K Mn N2 O8 -","- C48 H70 K Mn N2 O8 -","- C384 H560 K8 Mn8 N16 O64 -","8","0.5","","Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding","Inorganic Chemistry","2012","51","","12301","12312","10.1021/ic301587f","","","0.6889","synchrotron","","0.0507","0.0432","","","0.1089","0.1156","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331493","18.5473","0.0017","30.709","0.003","5.4881","0.0004","90","","90","","90","","3125.9","0.5","293","2","213","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,5-Diamino-4-methyl-tetrazolium nitrate","","- C2 H7 N7 O3 -","- C2 H7 N7 O3 -","- C32 H112 N112 O48 -","16","1","","Gálvez-Ruiz, Juan Carlos; Holl, Gerhard; Karaghiosoff, Konstantin; Klapötke, Thomas M.; Löhnwitz, Karolin; Mayer, Peter; Nöth, Heinrich; Polborn, Kurt; Rohbogner, Christoph J.; Suter, Max; Weigand, Jan J.","Derivatives of 1,5-Diamino-1H-tetrazole: A New Family of Energetic Heterocyclic-Based Salts","Inorganic Chemistry","2005","44","12","4237","4253","10.1021/ic050104g","","","0.71073","MoKα","","0.0587","0.0418","","","0.1069","0.1177","","","","","","1.05","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331718","32.242","0.006","41.145","0.006","10.352","0.004","90","","90","","90","","13733","6","293","","293","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C28.5 H32.5 B Cl1.5 N6 O P S3 W -","- C28.5 H32 B Cl1.5 N6 O P S3 W -","- C456 H512 B16 Cl24 N96 O16 P16 S48 W16 -","16","1","","Thomas, Simon; Tiekink, Edward R. T.; Young, Charles G.","π-Acid/π-Base Carbonyloxo, Carbonylsulfido, and Mixed-Valence Complexes of Tungsten","Inorganic Chemistry","2006","45","1","352","361","10.1021/ic051456q","","","0.71069","MoKalpha","","0.055","0.037","","","0.086","0.092","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332669","18.1364","0.0015","32.23","0.003","15.6796","0.0014","90","","90","","90","","9165.3","1.4","193","2","193","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H52 Au4 N8 S4 -","- C40 H52 Au4 N8 S4 -","- C320 H416 Au32 N64 S32 -","8","0.5","","Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]","Inorganic Chemistry","2006","45","19","7671","7680","10.1021/ic060655m","","","0.7107","MoKα","","0.0534","0.038","","","0.0776","0.0833","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332670","18.073","0.002","32.221","0.004","15.6343","0.0017","90","","90","","90","","9104.3","1.8","193","2","193","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H52 Ag2 Au2 N8 S4 -","- C40 H52 Ag2 Au2 N8 S4 -","- C320 H416 Ag16 Au16 N64 S32 -","8","0.5","","Chen, Jin-Xiang; Zhang, Wen-Hua; Tang, Xiao-Yan; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Toward Rational Construction of Gold, Gold−Silver, and Gold−Mercury String Complexes: Syntheses, Structures, and Properties of [Au(Tab)2]2L2(L = I and PF6), {[(Tab)2M][Au(CN)2]}2(M = Au and Ag), and {[Hg(Tab)2][Au(CN)2]2} [Tab = 4-(Trimethylammonio)benzenethiolate]","Inorganic Chemistry","2006","45","19","7671","7680","10.1021/ic060655m","","","0.7107","MoKα","","0.0296","0.0248","","","0.0569","0.0587","","","","","","1.08","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332826","5.8281","0.0006","17.476","0.0019","13.8749","0.0015","90","","90","","90","","1413.2","0.3","120","2","120","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Ge5 Sm3 -","- Ge5 Sm3 -","- Ge40 Sm24 -","8","0.5","","Tobash, Paul H.; Lins, Daniel; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Vacancy Ordering in SmGe2-xand GdGe2-x(x= 0.33): Structure and Properties of Two Sm3Ge5Polymorphs and of Gd3Ge5","Inorganic Chemistry","2006","45","18","7286","7294","10.1021/ic060913f","","","0.71073","MoKα","","0.0201","0.0198","","","0.0479","0.048","","","","","","1.165","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332827","5.7844","0.0019","17.355","0.006","13.785","0.005","90","","90","","90","","1383.9","0.8","120","2","120","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- Gd3 Ge5 -","- Gd3 Ge5 -","- Gd24 Ge40 -","8","0.5","","Tobash, Paul H.; Lins, Daniel; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Vacancy Ordering in SmGe2-xand GdGe2-x(x= 0.33): Structure and Properties of Two Sm3Ge5Polymorphs and of Gd3Ge5","Inorganic Chemistry","2006","45","18","7286","7294","10.1021/ic060913f","","","0.71073","MoKα","","0.02","0.0193","","","0.0465","0.047","","","","","","1.157","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332834","20.089","0.007","41.009","0.012","9.399","0.003","90","","90","","90","","7743","4","103.1","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H36 Cu F12 N8 P2 -","- C32 H36 Cu F12 N8 P2 -","- C256 H288 Cu8 F96 N64 P16 -","8","0.5","","Noro, Shin-ichiro; Horike, Satoshi; Tanaka, Daisuke; Kitagawa, Susumu; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Flexible and Shape-Selective Guest Binding at CuIIAxial Sites in 1-Dimensional CuII−1,2-Bis(4-pyridyl)ethane Coordination Polymers","Inorganic Chemistry","2006","45","23","9290","9300","10.1021/ic0609249","","","0.71075","MoKα","","","0.029","","","","0.0546","","","","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332878","44.007","0.009","18.945","0.004","7.2446","0.0014","90","","90","","90","","6040","2","183","2","183","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H6 Ca N2 O8 -","- C14 H6 Ca N2 O7.5 -","- C224 H96 Ca16 N32 O120 -","16","1","","Melton, Darren L.; VanDerveer, Donald G.; Hancock, Robert D.","Complexes of Greatly Enhanced Thermodynamic Stability and Metal Ion Size-Based Selectivity, Formed by the Highly Preorganized Non-Macrocyclic Ligand 1,10-Phenanthroline-2,9-dicarboxylic Acid. A Thermodynamic and Crystallographic Study","Inorganic Chemistry","2006","45","23","9306","9314","10.1021/ic061010p","","","0.71073","MoKα","","0.1367","0.0882","","","0.1937","0.2193","","","","","","0.999","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332885","50.377","0.003","16.4194","0.0009","19.3599","0.001","90","","90","","90","","16013.7","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H35 N6 Nd O14 Zn -","- C38 H30 N6 Nd O14 Zn -","- C608 H480 N96 Nd16 O224 Zn16 -","16","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.0897","0.0383","","","0.0717","0.0835","","","","","","0.866","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4333872","30.6651","0.0007","19.7956","0.0004","16.0737","0.0005","90","","90","","90","","9757.3","0.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","Neodymium(III) Borate Bromide","","","- B12 Br2 Nd2 O27.5 -","- B12 Br2 Nd2 O27.5 -","- B192 Br32 Nd32 O440 -","16","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0544","0.0478","","","0.1205","0.1246","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334257","31.172","0.003","38.128","0.003","14.8296","0.0013","90","","90","","90","","17625","3","100","2","100.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","Eu(CyMe4-BTPhen)2(H20)](NO3)3.9H2O","","- C68 H96 Eu N19 O19 -","- C68 H76 Eu N19.001 O19.003 -","- C544 H608 Eu8 N152.008 O152.024 -","8","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.71073","MOKα","","0.0609","0.0512","","","0.1317","0.1364","","","","","","1.066","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334258","31.3486","0.0007","38.0261","0.0009","14.8414","0.0003","90","","90","","90","","17691.9","0.7","100","2","100.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","[Tb(CyMe4-BTPhen)2(H2O)](NO3)3.9H2O","","- C68 H96 N19 O19 Tb -","- C68 H76 N19.001 O19.003 Tb -","- C544 H608 N152.008 O152.024 Tb8 -","8","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.061","0.0513","","","0.1341","0.1423","","","","","","1.084","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334259","31.3257","0.0013","37.709","0.002","14.8783","0.0007","90","","90","","90","","17575.2","1.4","100","2","100","0.14","","","","","","","","5","F d d 2","F 2 -2d","43","","[Yb(CyMe4-BTPhen)2(H2O)](NO3)3.9H2O","","- C68 H96 N19 O19 Yb -","- C68 H76 N18.999 O18.997 Yb -","- C544 H608 N151.992 O151.976 Yb8 -","8","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.0969","0.0658","","","0.1589","0.1984","","","","","","1.096","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4335112","18.1205","0.0009","49.575","0.003","15.1791","0.0008","90","","90","","90","","13635.7","1.3","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C33 H32 Br2 Cl2 N4 Pt2 S2 -","- C33 H32 Br2 Cl2 N4 Pt2 S2 -","- C528 H512 Br32 Cl32 N64 Pt32 S32 -","16","1","","Dan Yuan; Han Vinh Huynh","A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","6627","6634","10.1021/ic400672z","","","0.71073","MoKα","","0.0321","0.0295","","","0.0726","0.0737","","","","","","1.03","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335190","26.4751","0.0008","28.2602","0.0009","6.2479","0.0002","90","","90","","90","","4674.6","0.3","123","","123","","","","","","","","see text","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Cr N4 O5 -","- C8 H6 Cr N4 O5 -","- C128 H96 Cr16 N64 O80 -","16","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0244","0.0214","","","0.0492","0.0504","","","","","","1.054","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335293","20.1713","0.0007","48.0892","0.0016","8.9712","0.0003","90","","90","","90","","8702.3","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C46 H60 Ga2 N4 O3 -","- C46 H60 Ga2 N4 O3 -","- C368 H480 Ga16 N32 O24 -","8","0.5","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0155","0.0153","","","0.0415","0.0416","","","","","","1.05","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335294","20.539","0.003","47.199","0.005","9.343","0.002","90","","90","","90","","9057","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C46 H58 Cl2 Ga2 N4 O -","- C46 H58 Cl2 Ga2 N4 O -","- C368 H464 Cl16 Ga16 N32 O8 -","8","0.5","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0268","0.0252","","","0.0548","0.0553","","","","","","1.002","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4336293","21.9363","0.0016","44.948","0.003","8.5007","0.0005","90","","90","","90","","8381.6","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3-dichloro-2,4-bis(2,6-bis(2,4,6-trimethylphenyl)phenyl)-cyclo-1,3- diphospha-2,4-diazane","","- C48 H50 Cl2 N2 P2 -","- C48 H50 Cl2 N2 P2 -","- C384 H400 Cl16 N16 P16 -","8","0.5","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.064","0.0525","","","0.1335","0.1386","","","","","","1.069","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336433","31.315","0.002","13.7554","0.0008","17.9847","0.0008","90","","90","","90","","7746.9","0.8","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H44 Cl4 Cu4 N4 O14 -","- C32 H44 Cl4 Cu4 N4 O14 -","- C256 H352 Cl32 Cu32 N32 O112 -","8","0.5","","Nadia Marino; Donatella Armentano; Teresa F. Mastropietro; Miguel Julve; Giovanni De Munno; José Martínez-Lillo","Cubane-Type CuII4 and MnII2MnIII2 Complexes Based on Pyridoxine: A Versatile Ligand for Metal Assembling","Inorganic Chemistry","2013","52","","11934","11943","10.1021/ic4016355","","","0.71073","MoKα","","0.0453","0.0343","","","0.0805","0.0854","","","","","","1.055","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336630","39.123","0.005","56.678","0.007","8.4989","0.0011","90","","90","","90","","18846","4","100","2","100","2","","","","","","","toluene, pentane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 Ti -","- C30 H22 N6 Ti -","- C960 H704 N192 Ti32 -","32","2","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0873","0.0479","","","0.0905","0.1047","","","","","","1.05","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336631","39.071","0.009","56.447","0.013","8.39","0.002","90","","90","","90","","18504","7","100","2","100","2","","","","","","","toluene, pentane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 V -","- C30 H22 N6 V -","- C960 H704 N192 V32 -","32","2","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0901","0.0466","","","0.076","0.0902","","","","","","1.015","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336681","21.0091","0.0013","36.694","0.002","9.3124","0.0006","90","","90","","90","","7179","0.8","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H31 Fe0.5 O2 -","- C19 H31 Fe0.5 O2 -","- C304 H496 Fe8 O32 -","16","1","","James A. Bellow; Philip D. Martin; Richard L. Lord; Stanislav Groysman","Reductive Coupling of Azides Mediated by an Iron(II) Bis(alkoxide) Complex","Inorganic Chemistry","2013","52","","12335","12337","10.1021/ic402517m","","","0.71073","MoKα","","0.0369","0.0316","","","0.0781","0.0799","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336811","25.865","0.005","27.754","0.005","9.2716","0.0017","90","","90","","90","","6656","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H46 Ge2 N4 O S2 -","- C30 H46 Ge2 N4 O S2 -","- C240 H368 Ge16 N32 O8 S16 -","8","0.5","","Rahul Kumar Siwatch; Dhirendra Yadav; Goutam Mukherjee; Gopalan Rajaraman; Selvarajan Nagendran","Digermylene Oxide Complexes: Facile Synthesis and Reactivity","Inorganic Chemistry","2013","52","","13384","13391","10.1021/ic401720e","","","0.71073","MoKα","","0.0437","0.0397","","","0.0847","0.0864","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336812","26.138","0.006","27.882","0.006","9.316","0.002","90","","90","","90","","6789","3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H46 Ge2 N4 O Se2 -","- C30 H46 Ge2 N4 O Se2 -","- C240 H368 Ge16 N32 O8 Se16 -","8","0.5","","Rahul Kumar Siwatch; Dhirendra Yadav; Goutam Mukherjee; Gopalan Rajaraman; Selvarajan Nagendran","Digermylene Oxide Complexes: Facile Synthesis and Reactivity","Inorganic Chemistry","2013","52","","13384","13391","10.1021/ic401720e","","","0.71073","MoKα","","0.0385","0.0331","","","0.0696","0.072","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337072","29.928","0.01","43.631","0.009","16.789","0.003","90","","90","","90","","21923","9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C54 H18 N0 O38 Zn9 -","- C54 H18 O38 Zn9 -","- C432 H144 O304 Zn72 -","8","0.5","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.1153","0.0884","","","0.1998","0.2198","","","","","","0.998","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337385","31.752","0.003","32.804","0.003","9.3184","0.0009","90","","90","","90","","9706","1.6","180","2","180","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C13 H37 Al Cu P3 S2 -","- C13 H37 Al Cu P3 S2 -","- C208 H592 Al16 Cu16 P48 S32 -","16","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0661","0.0421","","","0.0686","0.0741","","","","","","0.915","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337867","44.2046","0.0009","58.0184","0.0014","13.2016","0.0002","90","","90","","90","","33857.9","1.2","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H80 O32 Pd8 S16 -","- C48 H78.5 O32 Pd8 S16 -","- C768 H1256 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0437","0.0396","","","0.1021","0.1075","","","","","","1.082","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337870","44.4491","0.0014","57.776","0.002","13.386","0.0004","90","","90","","90","","34376.5","1.9","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H82 Cl2 O32 Pd8 S16 -","- C49 H82 Cl2 O32 Pd8 S16 -","- C784 H1312 Cl32 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0497","0.0454","","","0.1229","0.1289","","","","","","1.059","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337871","44.343","0.008","57.699","0.01","13.638","0.002","90","","90","","90","","34893","10","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H84 Cl2 O32 Pd8 S16 -","- C50 H84 Cl2 O32 Pd8 S16 -","- C800 H1344 Cl32 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0659","0.0563","","","0.1258","0.1316","","","","","","1.163","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337872","44.4317","0.0016","57.845","0.002","13.4171","0.0005","90","","90","","90","","34484","2","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H82 Br2 O32 Pd8 S16 -","- C49 H72.75 Br2 O32 Pd8 S16 -","- C784 H1164 Br32 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0676","0.0576","","","0.1542","0.167","","","","","","1.071","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337873","44.3537","0.0016","57.846","0.002","13.4113","0.0005","90","","90","","90","","34409","2","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H83 I O32 Pd8 S16 -","- C49 H82.1 I O32 Pd8 S16 -","- C784 H1313.6 I16 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0969","0.0772","","","0.2177","0.2452","","","","","","1.063","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4338110","38.968","0.004","46.919","0.005","4.3266","0.0003","90","","90","","90","","7910.5","1.3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H19 Cl2 N O3 -","- C23 H19 Cl2 N O3 -","- C368 H304 Cl32 N16 O48 -","16","1","","Zipp, Caitlin F.; Michael, Joseph P.; Fernandes, Manuel A.; Mathura, Sadhna; Perry, Christopher B.; Navizet, Isabelle; Govender, Penny P.; Marques, Helder M.","The synthesis of a corrole analogue of aquacobalamin (vitamin b12a) and its ligand substitution reactions.","Inorganic chemistry","2014","53","9","4418","4429","10.1021/ic5000793","","","0.71073","MoKα","","0.2176","0.0537","","","0.066","0.0976","","","","","","0.715","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338428","26.3979","0.0018","27.717","0.003","15.3681","0.0018","90","","90","","90","","11244","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H22 Cl2 Cu2 N8 O11 -","- C16 H18 Cl2 Cu2 N8 O11 -","- C256 H288 Cl32 Cu32 N128 O176 -","16","1","","Castro, Isabel; Calatayud, M. Luisa; Barros, Wdeson P.; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni","Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2'-Bipyrimidine- and Polymethyl-Substituted Pyrazolates as Bridging Ligands.","Inorganic chemistry","2014","53","11","5759","5771","10.1021/ic500544n","","","0.71073","MoKα","","0.07","0.0595","","","0.1715","0.1819","","","","","","1.121","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4339381","17.236","0.0017","9.1835","0.0009","15.478","0.0016","90","","90","","90","","2450","0.4","293","2","293","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C8 H6 Ag F6 N4 P -","- C8 H6 Ag F6 N4 P -","- C64 H48 Ag8 F48 N32 P8 -","8","0.5","","Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chan, Chun-Chieh; Huang, Sheng-Ming; Chang, Bor-Chen; Lu, Yi-Long; Lee, Gene-Hsiang; Peng, Shih-Ming; Wang, Ju-Chun; Lu, Kuang-Lieh","Toward quartz and cristobalite: spontaneous resolution, structures, and characterization of chiral silica-mimetic silver(I)-organic materials.","Inorganic chemistry","2007","46","24","10044","10046","10.1021/ic701412q","","x-ray","0.71073","MoKα","","0.0242","0.024","","","0.061","0.0611","","","","","","1.119","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4339569","24.053","0.002","26.067","0.003","8.0593","0.0007","90","","90","","90","","5053.1","0.8","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","9-ally adenine silver perchlorate complex","","","- C8 H9 Ag Cl N5 O4.5 -","- C8 H9 Ag Cl N5 O4.5 -","- C128 H144 Ag16 Cl16 N80 O72 -","16","1","","Purohit, Chandra Shekhar; Mishra, Ashutosh Kumar; Verma, Sandeep","Four-stranded coordination helices containing silver-adenine (purine) metallaquartets.","Inorganic chemistry","2007","46","21","8493","8495","10.1021/ic701465d","","x-ray","0.71073","MoKα","","0.0717","0.0529","","","0.1078","0.1388","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339570","23.871","0.003","26.107","0.004","7.9152","0.001","90","","90","","90","","4932.8","1.2","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","9-allyl adenine AgBF4 complex","","","- C8 H9 Ag B F4 N5 O0.5 -","- C8 H9 Ag B F4 N5 O0.5 -","- C128 H144 Ag16 B16 F64 N80 O8 -","16","1","","Purohit, Chandra Shekhar; Mishra, Ashutosh Kumar; Verma, Sandeep","Four-stranded coordination helices containing silver-adenine (purine) metallaquartets.","Inorganic chemistry","2007","46","21","8493","8495","10.1021/ic701465d","","x-ray","0.71073","MoKα","","0.0552","0.0393","","","0.0808","0.1189","","","","","","1.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339571","24.7086","0.0019","26.937","0.002","7.201","0.0005","90","","90","","90","","4792.8","0.6","293","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","6-chloro 9-allyl purine silver nitrate","","","- C8.5 H7 Ag Cl N5 O4 -","- C8.5 H7 Ag Cl N5 O4 -","- C136 H112 Ag16 Cl16 N80 O64 -","16","1","","Purohit, Chandra Shekhar; Mishra, Ashutosh Kumar; Verma, Sandeep","Four-stranded coordination helices containing silver-adenine (purine) metallaquartets.","Inorganic chemistry","2007","46","21","8493","8495","10.1021/ic701465d","","x-ray","0.71073","MoKα","","0.0523","0.0361","","","0.0742","0.1201","","","","","","1.235","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339572","24.946","0.003","25.149","0.003","7.6705","0.0009","90","","90","","90","","4812.2","1","88","2","88","2","","","","","","","","5","F d d 2","F 2 -2d","43","9-propyl adenine silver nitrate complex","","","- C8 H11 Ag N6 O3 -","- C8 H11 Ag N6 O3 -","- C128 H176 Ag16 N96 O48 -","16","1","","Purohit, Chandra Shekhar; Mishra, Ashutosh Kumar; Verma, Sandeep","Four-stranded coordination helices containing silver-adenine (purine) metallaquartets.","Inorganic chemistry","2007","46","21","8493","8495","10.1021/ic701465d","","","0.71073","MoKα","","0.0687","0.0493","","","0.1074","0.146","","","","","","1.166","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339573","25.093","0.008","25.649","0.008","7.749","0.002","90","","90","","90","","4987","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","9-propyl 6-chloro adenine AgNO3 com-plex","","","- C8 H9 Ag Cl N5 O3 -","- C8 H9 Ag Cl N5 O3 -","- C128 H144 Ag16 Cl16 N80 O48 -","16","1","","Purohit, Chandra Shekhar; Mishra, Ashutosh Kumar; Verma, Sandeep","Four-stranded coordination helices containing silver-adenine (purine) metallaquartets.","Inorganic chemistry","2007","46","21","8493","8495","10.1021/ic701465d","","x-ray","0.71073","MoKα","","0.059","0.045","","","0.1107","0.1454","","","","","","1.15","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339621","26.4936","0.0014","12.092","0.0006","21.7995","0.0012","90","","90","","90","","6983.7","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H56 Co N9 O8 -","- C32 H56 Co N9 O8 -","- C256 H448 Co8 N72 O64 -","8","0.5","","Ghosh, Sanjib; Roehm, Brian; Begum, Rowshan Ara; Kut, Jerry; Hossain, Md Alamgir; Day, Victor W.; Bowman-James, Kristin","Versatile host for metallo anions and cations.","Inorganic chemistry","2007","46","23","9519","9521","10.1021/ic701371f","","","0.71073","MoKα","","0.0302","0.0295","","","0.0764","0.0768","","","","","","1.062","","","","has coordinates,has disorder","179499","2020-10-21","18:00:00",""
"4339622","26.5844","0.0017","12.0803","0.0008","21.8519","0.0014","90","","90","","90","","7017.7","0.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H56 Fe N9 O8 -","- C32 H56 Fe N9 O8 -","- C256 H448 Fe8 N72 O64 -","8","0.5","","Ghosh, Sanjib; Roehm, Brian; Begum, Rowshan Ara; Kut, Jerry; Hossain, Md Alamgir; Day, Victor W.; Bowman-James, Kristin","Versatile host for metallo anions and cations.","Inorganic chemistry","2007","46","23","9519","9521","10.1021/ic701371f","","","0.71073","MoKα","","0.043","0.0386","","","0.0801","0.0815","","","","","","0.983","","","","has coordinates,has disorder","179499","2020-10-21","18:00:00",""
"4340472","28.013","0.002","38.621","0.003","10.3927","0.0008","90","","90","","90","","11243.8","1.5","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C73 H68 N2 O -","- C73 H68 N2 O -","- C584 H544 N16 O8 -","8","0.5","","Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J","Synthesis of a ""Super Bulky"" Guanidinate Possessing an Expandable Coordination Pocket.","Inorganic chemistry","2014","53","15","8155","","10.1021/ic501219q","","","0.71073","MoKα","","0.05","0.0394","","","0.0822","0.0866","","","","","","1.052","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340784","27.663","0.004","49.6105","0.0015","27.879","0.01","90","","90","","90","","38260","15","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C68 H84 N4 O16 P4 Zn4 -","- C68 H84 N4 O16 P4 Zn4 -","- C1088 H1344 N64 O256 P64 Zn64 -","16","1","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71073","MoKα","","0.1004","0.0494","","","0.0978","0.1067","","","","","","0.765","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4341186","32.4022","0.0001","61.6353","0.0003","18.6713","0.0002","90","","90","","90","","37288.8","0.5","243","2","243","2","","","","","","","","7","F d d 2","F 2 -2d","43","","[Cu2(Neocuproine)2(o-MeO-dppcb)](PF6)2","","- C88 H84 Cu2 F12 N4 O8 P6 -","- C88 H84 Cu2 F12 N4 O8 P6 -","- C1408 H1344 Cu32 F192 N64 O128 P96 -","16","1","","Bizzarri, Claudia; Strabler, Christof; Prock, Johannes; Trettenbrein, Barbara; Ruggenthaler, Martin; Yang, Cheng-Han; Polo, Federico; Iordache, Adriana; Brüggeller, Peter; Cola, Luisa De","Luminescent dinuclear cu(i) complexes containing rigid tetraphosphine ligands.","Inorganic chemistry","2014","53","20","10944","10951","10.1021/ic5012204","","","0.71073","MoKα","","0.0576","0.048","","","0.1348","0.1576","","","","","","0.981","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341408","40.7892","0.0006","27.417","0.0004","15.0785","0.0002","90","","90","","90","","16862.6","0.4","160","1","160","1","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C82 H76 Br4 F12 N8 O6 P2 Ru -","- C70 H50 Br4 F12 N6 O4 P2 Ru -","- C560 H400 Br32 F96 N48 O32 P16 Ru8 -","8","0.5","","Veliks, Janis; Blacque, Olivier; Siegel, Jay S.","Three Steps in One Pot: Synthesis of Linear Bilateral Extended 2,2':6',2″-Terpyridineruthenium(II) Complexes.","Inorganic chemistry","2014","","","141028140700007","","10.1021/ic501946f","","","1.54184","CuKα","","0.042","0.0391","","","0.1003","0.1028","","","","","","1.036","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4342182","23.362","0.005","22.491","0.005","22.738","0.005","90","","90","","90","","11947","5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C42 H50 Co5 O30 -","- C42 H40 Co5 O30 -","- C336 H320 Co40 O240 -","8","0.5","","Ding, Ran; Huang, Chao; Lu, Jingjing; Wang, Junning; Song, Chuanjun; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Solvent templates induced porous metal-organic materials: conformational isomerism and catalytic activity.","Inorganic chemistry","2015","54","4","1405","1413","10.1021/ic502369y","","","0.71073","MoKα","","0.1327","0.0869","","","0.216","0.2477","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342445","32.518","0.01","41.503","0.013","8.457","0.003","90","","90","","90","","11414","6","293.15","","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H28 Cl2 N8 O5 Rh2 -","- C20 H26 Cl2 N8 O5 Rh2 -","- C320 H416 Cl32 N128 O80 Rh32 -","16","1","","Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro","Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.","Inorganic chemistry","2015","54","5","2331","","10.1021/ic502953b","","","0.71069","MoKα","","0.0892","0.0637","","","0.1398","0.1544","","","","","","1.073","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342553","20.1157","0.00012","30.241","0.0002","11.5584","0.0007","90","","90","","90","","7031.2","0.4","125","","125","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H54 N4 P2 Sn Te2 -","- C24 H54 N4 P2 Sn Te2 -","- C192 H432 N32 P16 Sn8 Te16 -","8","0.5","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","0.0503","0.0372","","","0.0554","0.0584","","","","","","1.062","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342944","30.291","0.004","34.922","0.004","14.9814","0.0017","90","","90","","90","","15848","3","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C62 H88 Cl4 N8 O18 P4 Zn4 -","- C62 H88 Cl4 N8 O18 P4 Zn4 -","- C496 H704 Cl32 N64 O144 P32 Zn32 -","8","0.5","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.026","0.0252","","","0.0666","0.0727","","","","","","1.115","","","","has coordinates,has disorder","138117","2020-10-21","18:00:00",""
"4342976","31.7878","0.0013","44.898","0.003","12.0946","0.0006","90","","90","","90","","17261.5","1.6","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C46 H60 Cl2 N4 Ti2 -","- C46 H60 Cl2 N4 Ti2 -","- C736 H960 Cl32 N64 Ti32 -","16","1","","Wolff, Carina; Gottschlich, Andreas; England, Jason; Wieghardt, Karl; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger","Molecular and Electronic Structures of Mononuclear and Dinuclear Titanium Complexes Containing π-Radical Anions of 2,2'-Bipyridine and 1,10-Phenanthroline: An Experimental and DFT Computational Study.","Inorganic chemistry","2015","54","10","4811","4820","10.1021/acs.inorgchem.5b00285","","","0.71073","MoKα","","0.0399","0.0295","","","0.0615","0.0631","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343804","9.339","","9.24","","5.828","","90","","90","","90","","502.912","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Pd F4","","- F4 Pd -","- F4 Pd -","- F32 Pd8 -","8","0.5","","Wright, A.F.; Leary, K.; Fender, B.E.F.; Bartlett, N.","A neutron powder diffraction study of palladium tetrafluoride","Inorganic Chemistry","1978","17","","748","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345303","8.2653","0.0016","34.916","0.006","13.17","0.002","90","","90","","90","","3800.7","1.1","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H24 Cl2 O4 Ti2 -","- C16 H24 Cl2 O4 Ti2 -","- C128 H192 Cl16 O32 Ti16 -","8","0.5","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0148","0.0146","","","0.0391","0.0391","","","","","","1.062","","","","has coordinates","192790","2020-10-21","18:00:00",""
"4345544","68.484","0.004","27.666","0.0014","7.9665","0.0004","90","","90","","90","","15094","1.4","100","","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H42 B2 Co N10 -","- C42 H42 B2 Co N10 -","- C672 H672 B32 Co16 N160 -","16","1","","Nurdin, Lucie; Spasyuk, Denis M.; Piers, Warren E.; Maron, Laurent","Reactions of Neutral Cobalt(II) Complexes of a Dianionic Tetrapodal Pentadentate Ligand: Cobalt(III) Amides from Imido Radicals.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00174","","","0.71073","MoKα","","0.1024","0.0855","","","0.1796","0.1926","","","","","","1.215","","","","has coordinates,has disorder","194299","2020-10-21","18:00:00",""
"4345555","13.903","0.003","19.813","0.005","11.393","0.003","90","","90","","90","","3138.3","1.3","299.48","","299.48","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H4 O16 U2 -","- C12 H4 O16 U2 -","- C96 H32 O128 U16 -","8","0.5","","Martin, Nicolas P.; März, Juliane; Volkringer, Christophe; Henry, Natacha; Hennig, Christoph; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Synthesis of Coordination Polymers of Tetravalent Actinides (Uranium and Neptunium) with a Phthalate or Mellitate Ligand in an Aqueous Medium.","Inorganic chemistry","2017","56","5","2902","2913","10.1021/acs.inorgchem.6b02962","","x-ray","0.71073","MoKα","","0.0707","0.0477","","","0.0995","0.1078","","","","","","1.015","","","","has coordinates","194685","2020-10-21","18:00:00",""
"4345710","18.9011","0.0008","14.8488","0.0007","12.9302","0.0006","90","","90","","90","","3629","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 Cu I5 N4 -","- C8 H8 Cu I5 N4 -","- C64 H64 Cu8 I40 N32 -","8","0.5","","Malaestean, Iurie L.; Kravtsov, Victor Ch; Lipkowski, Janusz; Cariati, Elena; Righetto, Stefania; Marinotto, Daniele; Forni, Alessandra; Fonari, Marina S.","Partial in Situ Reduction of Copper(II) Resulting in One-Pot Formation of 2D Neutral and 3D Cationic Copper(I) Iodide-Pyrazine Coordination Polymers: Structure and Emissive Properties.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00290","","","0.71073","MoKα","","0.0348","0.0314","","","0.0768","0.0792","","","","","","1.068","","","","has coordinates","195563","2020-10-21","18:00:00",""
"4345824","25.123","0.0019","60.748","0.005","9.0059","0.0006","90","","90","","90","","13744.6","1.8","150","","150","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H38 B Cu F4 N3 P -","- C37 H38 B Cu F4 N3 P -","- C592 H608 B16 Cu16 F64 N48 P16 -","16","1","","Hasegawa, Tatsuya; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Kato, Masako","Emission Tuning of Luminescent Copper(I) Complexes by Vapor-Induced Ligand Exchange Reactions.","Inorganic chemistry","2017","56","9","4928","4936","10.1021/acs.inorgchem.6b03122","","","0.71075","MoKα","","0.0812","0.0515","","","0.0896","0.1007","","","","","","1.015","","","","has coordinates","195991","2020-10-21","18:00:00",""
"4346035","35.2421","0.0015","52.7954","0.0019","10.2274","0.0004","90","","90","","90","","19029.3","1.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C43 H25 O16 Pd0.5 Re4 Sb2 -","- C43 H25 O16 Pd0.511 Re4 Sb2 -","- C688 H400 O256 Pd8.176 Re64 Sb32 -","16","1","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.0446","0.0356","","","0.066","0.0692","","","","","","1.037","","","","has coordinates,has disorder","231589","2020-10-21","18:00:00",""
"4346230","22.5903","0.0005","22.8156","0.0005","41.3011","0.0007","90","","90","","90","","21287.1","0.8","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C19 H56 Cl2 Mn6 P6 Te6 -","- C19 H56 Cl2 Mn6 P6 Te6 -","- C304 H896 Cl32 Mn96 P96 Te96 -","16","1","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","0.71073","MoKα","","0.0524","0.0406","","","0.0824","0.0868","","","","","","1.047","","","","has coordinates,has disorder","231670","2020-10-21","18:00:00",""
"4346781","26.255","0.0013","38.811","0.003","9.1778","0.0005","90","","90","","90","","9352","1","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H31 Cl N7 P -","- C24 H31 Cl N7 P -","- C384 H496 Cl16 N112 P16 -","16","1","","Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y.","Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II).","Inorganic chemistry","2015","54","23","11505","11510","10.1021/acs.inorgchem.5b02133","","","0.71073","MoKα","","0.0414","0.0373","","","0.1039","0.1069","","","","","","0.841","","","","has coordinates","231979","2020-10-21","18:00:00",""
"4347715","20.1959","0.0006","26.4637","0.0008","14.6327","0.0004","90","","90","","90","","7820.6","0.4","123","","123","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C27 H44 F12 N10 P4 Ru -","- C27 H44 F12 N10 P4 Ru -","- C216 H352 F96 N80 P32 Ru8 -","8","0.5","","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","","0.0225","0.0219","","","0.0598","0.0604","","","","","","1.123","","","","has coordinates,has disorder","232461","2020-10-21","18:00:00",""
"4348019","34.7559","0.0019","9.6439","0.0005","14.2612","0.0008","90","","90","","90","","4780.1","0.4","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Co(tdmmb)(NCS)2]","","","- C25 H21 Co N9 S2 -","- C25 H21 Co N9 S2 -","- C200 H168 Co8 N72 S16 -","8","0.5","","Shao, Dong; Zhang, Shao-Liang; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi","Probing the Effect of Axial Ligands on Easy-Plane Anisotropy of Pentagonal-Bipyramidal Cobalt(II) Single-Ion Magnets.","Inorganic chemistry","2016","55","21","10859","10869","10.1021/acs.inorgchem.6b00854","","","0.71073","MoKα","","0.0507","0.0503","","","0.1189","0.1191","","","","","","1.102","","","","has coordinates","232647","2020-10-21","18:00:00",""
"4348299","24.0111","0.0011","43.5461","0.0019","6.9271","0.0003","90","","90","","90","","7242.9","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H19 F N2 Pt -","- C23 H19 F N2 Pt -","- C368 H304 F16 N32 Pt16 -","16","1","","Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo","Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.","Inorganic chemistry","2016","55","15","7647","7660","10.1021/acs.inorgchem.6b01100","","","0.71073","MoKα","","0.0216","0.0171","","","0.0263","0.0268","","","","","","1.048","","","","has coordinates","232867","2020-10-21","18:00:00",""
"4348428","20.788","0.0016","12.8659","0.0007","14.3885","0.0009","90","","90","","90","","3848.3","0.4","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H24 Br N4 P S2 -","- C14 H24 Br N4 P S2 -","- C112 H192 Br8 N32 P8 S16 -","8","0.5","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0549","0.0347","","","0.0643","0.07","","","","","","1.024","","","","has coordinates","232912","2020-10-21","18:00:00",""
"4348607","15.775","0.006","16.035","0.006","33.845","0.014","90","","90","","90","","8561","6","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H14 Cd2 N2 O8 -","- C26 H14 Cd2 N2 O8 -","- C208 H112 Cd16 N16 O64 -","8","0.5","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Jian-Ping; Wang, Yao-Yu; Zhu, Zhonghua","Structural Diversity of Cadmium(II) Coordination Polymers Induced by Tuning the Coordination Sites of Isomeric Ligands.","Inorganic chemistry","2016","55","17","8871","8880","10.1021/acs.inorgchem.6b01416","","","0.71073","MoKα","","0.0926","0.0786","","","0.2012","0.2129","","","","","","1.047","","","","has coordinates","233175","2020-10-21","18:00:00",""
"4348868","14.914","0.004","23.507","0.008","9.261","0.004","90","","90","","90","","3247","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C5 H13 Cl2 Fe2 N O12 -","- C5 Cl2 Fe2 N O12 -","- C40 Cl16 Fe16 N8 O96 -","8","0.5","","Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella","Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers.","Inorganic chemistry","2016","55","21","11160","11169","10.1021/acs.inorgchem.6b01769","","","0.71073","MoKα","","0.0417","0.0382","","","0.1048","0.1144","","","","","","1.006","","","","has coordinates","233445","2020-10-21","18:00:00",""
"4349278","34.064","0.006","60.772","0.01","8.036","0.0013","90","","90","","90","","16636","5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H39 N5 O10 Ru2 -","- C40 H39 N5 O10 Ru2 -","- C640 H624 N80 O160 Ru32 -","16","1","","Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar","Isomeric Diruthenium Complexes of a Heterocyclic and Quinonoid Bridging Ligand: Valence and Spin Alternatives for the Metal/Ligand/Metal Arrangement.","Inorganic chemistry","2016","55","23","12357","12365","10.1021/acs.inorgchem.6b02245","","","0.7107","MoKα","","0.0366","0.0343","","","0.0746","0.0759","","","","","","1.049","","","","has coordinates","233803","2020-10-21","18:00:00",""
"4349338","42.164","0.009","20.815","0.004","7.478","0.0015","90","","90","","90","","6563","2","100","0.2","100","0.2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H15 N3 O7 Ti -","- C15 H15 N3 O7 Ti -","- C240 H240 N48 O112 Ti16 -","16","1","","Kim, Bongsu; Oh, Seung-Jin; Jo, Hongil; Ok, Kang Min","A Polar Titanium-Organic Chain with a Very Large Second-Harmonic-Generation Response.","Inorganic chemistry","2016","55","22","11635","11638","10.1021/acs.inorgchem.6b02536","","x-ray","0.7","","","0.1089","0.0899","","","0.2548","0.2769","","","","","","1.074","","","","has coordinates","233869","2020-10-21","18:00:00",""
"4349779","25.736","0.003","75.453","0.007","9.3523","0.0009","90","","90","","90","","18161","3","296.15","","296.15","","","","","","","","no","6","F d d 2","F 2 -2d","43","Co(L4)2(ClO4)2","5","","- C40 H48 Cl2 Co N8 O14 -","- C40 H48 Cl2 Co N8 O14 -","- C640 H768 Cl32 Co16 N128 O224 -","16","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0878","0.0629","","","0.1672","0.1851","","","","","","1.003","","","","has coordinates","235821","2020-10-21","18:00:00",""
"4349841","35.7961","0.0016","33.5952","0.0013","33.0784","0.0018","90","","90","","90","","39779","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C186 H144 N24 Nb2 Ni6 O52.19 -","- C186 H144 N24 Nb2 Ni6 O52.22 -","- C1488 H1152 N192 Nb16 Ni48 O417.76 -","8","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.0785","0.064","","","0.1644","0.1769","","","","","","1.032","","","","has coordinates","236887","2020-10-21","18:00:00",""
"4350052","36.267","0.003","8.7886","0.0005","18.2623","0.0011","90","","90","","90","","5820.9","0.7","173","2","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H30 Fe N6 S2 -","- C30 H30 Fe N6 S2 -","- C240 H240 Fe8 N48 S16 -","8","0.5","","Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin","Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes","Inorganic Chemistry Frontiers","2019","6","8","2194","","10.1039/C9QI00577C","","","0.71073","MoKα","","0.0292","0.0241","","","0.0564","0.0581","","","","","","1.027","","","","has coordinates","237963","2020-10-21","18:00:00",""
"4350145","25.924","0.0017","32.412","0.002","13.2616","0.0009","90","","90","","90","","11143","1.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H29 Br2 P -","- C31 H29 Br2 P -","- C496 H464 Br32 P16 -","16","1","","Gudimetla, Vittal B.; Rheingold, Arnold L.; Payton, John L.; Peng, Huo-Lei; Simpson, M. Cather; Protasiewicz, John D.","Photochemical E-Z isomerization of meta-terphenyl-protected phosphaalkenes and structural characterizations.","Inorganic chemistry","2006","45","13","4895","4901","10.1021/ic0520521","","","0.71073","MoKα","","0.0366","0.0326","","","0.0745","0.0758","","","","","","0.99","","","","has coordinates","239761","2020-10-21","18:00:00",""
"4350191","23.124","0.002","37.368","0.005","19.18","0.002","90","","90","","90","","16573","3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H16 Ag F6 N4 O Sb -","- C32 H16 Ag F6 N4 O Sb -","- C512 H256 Ag16 F96 N64 O16 Sb16 -","16","1","","Dong, Yu-Bin; Xu, Hong-Xia; Ma, Jian-Ping; Huang, Ru-Qi","Silver(I) coordination polymers based on a nano-sized bent bis(3-acetylenylphenyl-(4-cyanophenyl))oxadiazole ligand: the role of ligand isomerism and the templating effect of polyatomic anions and solvent intermediates.","Inorganic chemistry","2006","45","8","3325","3343","10.1021/ic052158w","","","0.71073","MoKα","","0.0896","0.0634","","","0.1442","0.1549","","","","","","1","","","","has coordinates","239771","2020-10-21","18:00:00",""
"4350372","19.6218","0.0009","77.737","0.004","11.2629","0.0006","90","","90","","90","","17179.8","1.5","98","","98","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C43 H68 B Mn N O0.5 P3 -","- C43.005 H68.011 B Mn N O0.4995 P3 -","- C688.08 H1088.18 B16 Mn16 N16 O7.992 P48 -","16","1","","Lu, Connie C.; Peters, Jonas C.","Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].","Inorganic chemistry","2006","45","21","8597","8607","10.1021/ic060735q","","","0.71073","MoKα","","0.0747","0.0514","","","0.0731","0.0755","","","","","","1.473","","","","has coordinates,has disorder","239861","2020-10-21","18:00:00",""
"4350476","18.23","0.002","9.8294","0.0011","15.8794","0.0017","90","","90","","90","","2845.4","0.5","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0152","0.0152","","","0.0395","0.0395","","","","","","1.05","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350480","18.3673","0.0012","9.878","0.0006","15.9371","0.001","90","","90","","90","","2891.5","0.3","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H10 Br0.58 Cl1.42 N4 O Zn -","- C11 H10 Br0.576 Cl1.424 N4 O Zn -","- C88 H80 Br4.608 Cl11.392 N32 O8 Zn8 -","8","0.5","","Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.","Anion separation by selective crystallization of metal-organic frameworks.","Inorganic chemistry","2006","45","16","6446","6452","10.1021/ic060958g","","","0.71073","MoKα","","0.0157","0.0155","","","0.0397","0.0397","","","","","","1.044","","","","has coordinates","239903","2020-10-21","18:00:00",""
"4350535","6.5561","0.0006","21.983","0.002","39.775","0.004","90","","90","","90","","5732.5","0.9","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H22 Cu4 N9 O8.5 -","- C6 H6 Cu4 N9 -","- C96 H96 Cu64 N144 -","16","1","","Ouellette, Wayne; Prosvirin, Andrey V.; Chieffo, Vincent; Dunbar, Kim R.; Hudson, Bruce; Zubieta, Jon","Solid-state coordination chemistry of the Cu/triazolate/X system (X = F-, Cl-, Br-, I-, OH-, and SO4(2-)).","Inorganic chemistry","2006","45","23","9346","9366","10.1021/ic061102e","","x-ray","0.71073","MoKα","","0.0834","0.083","","","0.1848","0.185","","","","","","1.08","","","","has coordinates","239930","2020-10-21","18:00:00",""
"4350570","44.24","0.03","19.128","0.014","25.97","0.03","90","","90","","90","","21976","3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C88 H68 Cl4 Cu4 N12 O36 -","- C88 H68 Cl4 Cu4 N12 O36 -","- C704 H544 Cl32 Cu32 N96 O288 -","8","0.5","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1334","0.0694","","","0.1679","0.1997","","","","","","0.893","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4500349","17.721","0.003","52.356","0.008","8.5857","0.0012","90","","90","","90","","7966","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H54 Co2 N8 O11 -","- C34 H52 Co2 N8 O11 -","- C272 H416 Co16 N64 O88 -","8","0.5","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.026","0.024","","","0.0595","0.0607","","","","","","1.054","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500886","18.9358","0.0004","81.0567","0.0019","5.8548","0.0001","90","","90","","90","","8986.4","0.3","173","2","173","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C25 H36 Fe N2 O2 -","- C25 H36 Fe N2 O2 -","- C400 H576 Fe16 N32 O32 -","16","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0376","0.0319","","","0.0824","0.0925","","","","","","1.129","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4501065","31.4591","0.0016","29.417","0.0012","6.394","0.0003","90","","90","","90","","5917.2","0.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2amino-3-nitropyridinium picrate","","- C11 H8 N6 O9 -","- C11 H8 N6 O9 -","- C176 H128 N96 O144 -","16","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0579","0.0335","","","0.0664","0.0704","","","","","","0.877","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501098","19.323","0.005","84.57","0.02","5.0562","0.0013","90","","90","","90","","8263","4","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H30 N2 O7 S -","- C18 H30 N2 O7 S -","- C288 H480 N32 O112 S16 -","16","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Wen, Yi-Mei; Huang, Rong-Bin; Zheng, Lan-Sun","Solvent-Controlled Rare Case of a Triple Helical Molecular Braid Assembled from Proton-Transferred Sebacic Acid","Crystal Growth & Design","2011","11","8","3323","","10.1021/cg2006953","","","0.71073","MoKα","","0.0546","0.0519","","","0.1261","0.1284","","","","","","1.043","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501464","8.8289","0.0008","32.679","0.003","16.3726","0.0015","90","","90","","90","","4723.8","0.7","123","2","123","2","","","","","","","","7","F d d 2","F 2 -2d","43","07218b","","","- C16 H30 F6 Fe N4 O6 S2 -","- C16 H30 F6 Fe N4 O6 S2 -","- C128 H240 F48 Fe8 N32 O48 S16 -","8","0.5","","Feng, Yan; England, Jason; Que, Lawrence","Iron-Catalyzed Olefin Epoxidation and cis-Dihydroxylation by Tetraalkylcyclam Complexes: the Importance of cis-Labile Sites","ACS Catalysis","2011","1","9","1035","","10.1021/cs200292h","","","0.71073","MoKα","","0.0224","0.0213","","","0.0544","0.0551","","","","","","1.097","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501619","19.891","0.003","24.552","0.005","29.286","0.006","90","","90","","90","","14302","5","294.15","","294.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C66 H54 O27 Zn4 -","- C66 H48 O27 Zn4 -","- C528 H384 O216 Zn32 -","8","0.5","","Liu, Tian-Fu; Lü, Jian; Guo, Zhengang; Proserpio, Davide M.; Cao, Rong","New Metal−Organic Framework with Uninodal 4-Connected Topology Displaying Interpenetration, Self-Catenation, and Second-Order Nonlinear Optical Response","Crystal Growth & Design","2010","10","4","1489","","10.1021/cg100174h","","","0.71073","MoKα","","0.097","0.0838","","","0.2245","0.2407","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502103","17.5574","0.0018","53.109","0.005","10.0233","0.001","90","","90","","90","","9346.3","1.6","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H14 O S -","- C14 H14 O S -","- C448 H448 O32 S32 -","32","2","","Eccles, Kevin S.; Elcoate, Curtis J.; Stokes, Stephen P.; Maguire, Anita R.; Lawrence, Simon E.","Sulfoxides: Potent Co-Crystal Formers","Crystal Growth & Design","2010","10","10","4243","","10.1021/cg1010192","","","0.71073","MoKα","","0.0825","0.0493","","","0.1244","0.1426","","","","","","1.035","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502432","19.712","0.015","38.57","0.03","7.082","0.005","90","","90","","90","","5384","7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H12 Ag N2 O2 -","- C16 H12 Ag N2 O2 -","- C256 H192 Ag16 N32 O32 -","16","1","","Li, Cheng-Peng; Chen, Jing; Yu, Qian; Du, Miao","Structural Modulation and Properties of Silver(I) Coordination Frameworks with Benzenedicarboxyl Tectons andtrans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene Spacer","Crystal Growth & Design","2010","10","4","1623","","10.1021/cg901188g","","","0.71073","MoKα","","0.0253","0.0231","","","0.0536","0.0546","","","","","","1.07","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502496","42.098","0.004","8.3101","0.0008","12.9061","0.0008","90","","90","","90","","4515.1","0.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H12 Cl2 Hg N4 O4 -","- C24 H12 Cl2 Hg N4 O4 -","- C192 H96 Cl16 Hg8 N32 O32 -","8","0.5","","Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming","A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions","Crystal Growth & Design","2010","10","4","1706","","10.1021/cg901297y","","","0.71073","MoKα","","0.038","0.0296","","","0.0663","0.0701","","","","","","1.076","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502652","22.36","0.008","19.782","0.008","4.691","0.002","90","","90","","90","","2074.9","1.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C64 H80 N48 O32 -","16","1","","Naik, Anil D.; Dîrtu, Marinela M.; Léonard, Alexandre; Tinant, Bernard; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Engineering Three-Dimensional Chains of Porous Nanoballs from a 1,2,4-Triazole-carboxylate Supramolecular Synthon","Crystal Growth & Design","2010","10","4","1798","","10.1021/cg901473d","","","0.71069","MoKα","","0.0342","0.0341","","","0.0908","0.0909","","","","","","1.267","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503013","15.297","0.003","53.58","0.011","14.422","0.003","90","","90","","90","","11820","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","SU-62","","","- C16 H62 Ge20 N8 O50 -","- C16 H68 Ge20 N8 O50 -","- C128 H544 Ge160 N64 O400 -","8","0.5","","Inge, A. Ken; Peskov, Maxim V.; Sun, Junliang; Zou, Xiaodong","SU-62: Synthesis and Structure Investigation of a Germanate with a Novel Three-Dimensional Net and Interconnected 10- and 14-Ring Channels","Crystal Growth & Design","2012","12","1","369","","10.1021/cg201482n","","","0.9077","synchrotron","","0.0275","0.0267","","","0.0632","0.0634","","","","","","1.082","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503139","15.8227","0.001","45.308","0.003","12.7105","0.0008","90","","90","","90","","9112.1","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H36 Cd N6 O16 -","- C26 H36 Cd N6 O16 -","- C208 H288 Cd8 N48 O128 -","8","0.5","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.0627","0.0573","","","0.1539","0.1596","","","","","","1.048","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503554","39.596","0.007","8.2984","0.0014","11.258","0.002","90","","90","","90","","3699.2","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- I6 In K3 O18 -","- I6 In K3 O18 -","- I48 In8 K24 O144 -","8","0.5","","Liu, Xiaomin; Li, Guanghua; Hu, Yawei; Yang, Ming; Kong, Xianggui; Shi, Zhan; Feng, Shouhua","Hydrothermal Synthesis and Crystal Structure of Polar and Nonpolar Compounds in Indium Iodate Family","Crystal Growth & Design","2008","8","7","2453","","10.1021/cg800034z","","","0.71073","MoKα","","0.027","0.0249","","","0.0518","0.0523","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504262","9.851","0.003","56.994","0.018","9.211","0.003","90","","90","","90","","5171","3","298","2","566","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C224 H208 N48 O48 -","16","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0413","0.0404","","","0.1088","0.1096","","","","","","1.117","","","","has coordinates","211134","2020-10-21","18:00:00",""
"4504316","21.1088","0.0012","34.334","0.002","20.1564","0.0012","90","","90","","90","","14608.3","1.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H33 Cd N11 O12 -","- C30 H33 Cd N11 O12 -","- C480 H528 Cd16 N176 O192 -","16","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0321","0.0294","","","0.079","0.0863","","","","","","1.076","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504390","33.573","0.007","46.947","0.011","9.467","0.002","90","","90","","90","","14921","6","294.15","","294.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C140 H168 Ag8 N40 O28 -","- C140 H160 Ag8 N40 O28 -","- C560 H640 Ag32 N160 O112 -","4","0.25","","Song, Li; Du, Shao-Wu; Lin, Jian-Di; Zhou, Hui; Li, Tao","A 3D Metal‒Organic Framework with Rare 3-Fold Interpenetrating Dia-g Nets Based on Silver(I) and Novel Tetradentate Imidazolate Ligand: Synthesis, Structure, and Possible Ferroelectric Property","Crystal Growth & Design","2007","7","11","2268","","10.1021/cg070458d","","","0.71073","MoKα","","0.0663","0.0578","","","0.1628","0.1791","","","","","","1.051","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504628","18.6008","0.0011","62.936","0.004","7.5918","0.0005","90","","90","","90","","8887.4","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H24 N4 O13 Zn -","- C17 H18 N4 O13 Zn -","- C272 H288 N64 O208 Zn16 -","16","1","","Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun","Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands","Crystal Growth & Design","2006","6","2","444","","10.1021/cg050378e","","","0.71073","MoKα","","0.0509","0.047","","","0.1229","0.1263","","","","","","1.048","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504937","30.3992","0.0012","31.2845","0.0016","4.6739","0.0002","90","","90","","90","","4445","0.3","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H24 N8 O8 -","- C19 H24 N8 O8 -","- C152 H192 N64 O64 -","8","0.5","","Trask, Andrew V.; Motherwell, W. D. Samuel; Jones, William","Pharmaceutical Cocrystallization: Engineering a Remedy for Caffeine Hydration","Crystal Growth & Design","2005","5","3","1013","","10.1021/cg0496540","","","0.71073","MoKα","","0.0702","0.0425","","","0.0855","0.0954","","","","","","1.079","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504943","12.1332","0.0015","16.798","0.002","46.658","0.006","90","","90","","90","","9510","2","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","1R (1PBA)(C6(CN)6)","","","- C26 H20 N10 -","- C26 H20 N10 -","- C416 H320 N160 -","16","1","","Lee, Sang-Ok; Shacklady, Danielle M.; Horner, Matthew J.; Ferlay, Sylvie; Hosseini, Mir W.; Ward, Michael D.","Structural Transference and Regulation of Bimodal Assembly of Charge-Assisted Hydrogen-Bonded Networks","Crystal Growth & Design","2005","5","3","995","","10.1021/cg049660w","","","0.71073","MoKα","","0.0804","0.0747","","","0.1992","0.2068","","","","","","1.049","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4505160","18.734","0.002","19.448","0.004","7.724","0.001","90","","90","","90","","2814.2","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C80 H96 Cl16 N48 O16 -","16","1","","Kaftory, Menahem; Botoshansky, Mark; Sheinin, Yana","Dimormorphism and Cocrystal Formation of 3-(Chloroacetamido)pyrazole","Crystal Growth & Design","2005","5","6","2242","","10.1021/cg0501229","","","0.71073","MoKα","","0.0463","0.0342","","","0.0859","0.0918","","","","","","0.996","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4506124","29.749","0.003","20.7268","0.0019","3.6309","0.0003","90","","90","","90","","2238.8","0.4","","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C4 H12 Al F5 N10 -","- C4 H12 Al F5 N10 -","- C32 H96 Al8 F40 N80 -","8","0.5","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506125","35.934","0.015","20.746","0.008","3.59","0.003","90","","90","","90","","2676","3","","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C4 H12 Al2 F8 N10 -","- C4 H12 Al2 F8 N10 -","- C32 H96 Al16 F64 N80 -","8","0.5","","Cadiau, A; Le Bail, A; Hemon-Ribaud, A; Leblanc, M; Body, M; Fayon, F; Durand, E; Boulou, J C; Maisonneuve, V","Evolution of Guanazolium Fluoroaluminates within the Composition-Space Diagram and with the Temperature","Crystal Growth & Design","2010","10","","5159","5168","10.1021/cg100909x","","","","","","","","","","","","","","","","","","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506192","16.011","0.003","32.093","0.006","4.0823","0.0008","90","","90","","90","","2097.7","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H8 O S2 -","- C12 H8 O S2 -","- C96 H64 O8 S16 -","8","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0336","0.0296","","","0.0662","0.0685","","","","","","1.125","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506823","14.2347","0.0012","19.772","0.002","10.8817","0.001","90","","90","","90","","3062.6","0.5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H12 N2 O4 Pb -","- C15 H12 N2 O4 Pb -","- C120 H96 N16 O32 Pb8 -","8","0.5","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.0322","0.0254","","","0.0513","0.0532","","","","","","1.063","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4507053","36.985","0.014","26.256","0.004","5.1348","0.001","90","","90","","90","","4986","2","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","picolinic acid - 2,5-hihydroxybenzoic acid","","- C13 H11 N O6.09 -","- C13 H11 N O6.09 -","- C208 H176 N16 O97.44 -","16","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0472","0.0302","","","0.0615","0.0642","","","","","","0.88","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507374","18.172","0.005","52.375","0.01","5.698","0.005","90","","90","","90","","5423","5","293","2","293","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C240 H240 N16 O32 S16 -","16","1","","Mahieux, Julien; Sanselme, Morgane; Coquerel, Gerard","Access to Single Crystals of (±)-Form IV of Modafinil by Crystallization in Gels. Comparisons between (±)-Forms I, III, and IV and (−)-Form I","Crystal Growth & Design","2013","13","2","908","","10.1021/cg301630d","","x-ray","0.71073","MoKα","","0.0413","0.0388","","","0.0969","0.0988","","","","","","1.048","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507698","13.3441","0.001","43.503","0.005","13.1326","0.001","90","","90","","90","","7623.6","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H12 Cd N2.5 Na1.5 O9 -","- C15 H9 Cd N2.5 Na1.5 O9 -","- C240 H144 Cd16 N40 Na24 O144 -","16","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0487","","","0.1044","0.107","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508241","18.609","0.004","28.378","0.008","14.152","0.003","90","","90","","90","","7473","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H32 Cu2 I2 N8 O4 -","- C30 H32 Cu2 I2 N8 O4 -","- C240 H256 Cu16 I16 N64 O32 -","8","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1023","0.0608","","","0.1703","0.1871","","","","","","1.178","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508688","16.388","0.008","23.059","0.009","9.008","0.006","90","","90","","90","","3404","3","296.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H12 Cu2 Mo N12 -","- C8 H12 Cu2 Mo N12 -","- C64 H96 Cu16 Mo8 N96 -","8","0.5","","Hozumi, Toshiya; Nuida, Tomohiro; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi","Crystal Structure and Nonlinear Optical Effect of a Pyroelectric Crystal Composed of a Cyano-Bridged Cu−Mo Assembly","Crystal Growth & Design","2006","6","8","1736","","10.1021/cg060093h","","","0.71075","MoKα","","","0.0185","","","","0.0409","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508711","23.069","0.004","25.231","0.004","3.8429","0.0006","90","","90","","90","","2236.8","0.6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","2-chloro-3-pyridinol","2-chloro-3-pyridinol","","- C5 H4 Cl N O -","- C5 H4 Cl N O -","- C80 H64 Cl16 N16 O16 -","16","1","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0308","0.0295","","","0.0756","0.0764","","","","","","1.096","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508950","22.291","0.009","29.58","0.012","8.607","0.003","90","","90","","90","","5675","4","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H30 Cd I4 N4 -","- C18 H30 Cd I4 N4 -","- C144 H240 Cd8 I32 N32 -","8","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0633","0.0414","","","0.0799","0.0882","","","","","","0.993","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508951","7.9","0.002","11.888","0.003","23.593","0.006","90","","90","","90","","2215.7","1","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H15 I N2 -","- C9 H15 I N2 -","- C72 H120 I8 N16 -","8","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0294","0.0259","","","0.0537","0.0554","","","","","","1.032","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509497","18.07","0.003","31.806","0.005","6.8941","0.001","90","","90","","90","","3962.3","1.1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","4-dimethylaminopyridinium isophthalate","4-dimethylaminopyridinium isophthalate","","- C11 H13 N2 O2 -","- C11 H13 N2 O2 -","- C176 H208 N32 O32 -","16","1","","Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.","Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids","Crystal Growth & Design","2009","9","6","2881","","10.1021/cg9001994","","","0.71073","MoKα","","0.0483","0.0396","","","0.0994","0.1039","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509665","26.9256","0.0017","12.9697","0.0008","16.6178","0.001","90","","90","","90","","5803.2","0.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H9 Cu F4 N2 O4.5 -","- C14 H8 Cu F4 N2 O4.5 -","- C224 H128 Cu16 F64 N32 O72 -","16","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.0463","0.0412","","","0.0975","0.1008","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510180","13.0656","0.001","20.0395","0.0015","25.521","0.002","90","","90","","90","","6682.1","0.9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H30 N4 Ni2 O11 -","- C38 H30 N4 Ni2 O11 -","- C304 H240 N32 Ni16 O88 -","8","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0567","0.0399","","","0.0757","0.0833","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510368","31.9415","0.0009","36.1537","0.001","10.8862","0.0003","90","","90","","90","","12571.4","0.6","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H20 O10 Pb4 -","- C28 H20 O10 Pb4 -","- C448 H320 O160 Pb64 -","16","1","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.71073","MoKα","","0.0719","0.0378","","","0.0561","0.0635","","","","","","1.014","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4511461","15.7921","0.0003","20.8796","0.0002","15.6669","0.0004","90","","90","","90","","5165.89","0.17","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H8 Cd3 N10 O2 S6 -","- C14 H8 Cd3 N10 O2 S6 -","- C112 H64 Cd24 N80 O16 S48 -","8","0.5","","Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Batten, Stuart R.","A Novel Acentric Three-Dimensional Network with Complicated Topology","Crystal Growth & Design","2006","6","6","1261","","10.1021/cg060037g","","","0.71073","MoKα","","0.0222","0.0199","","","0.0436","0.0444","","","","","","1.052","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511647","21.579","0.0001","25.288","0.0003","9.788","0.0004","90","","90","","90","","5341.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C16 H16 K3 N12 O8 W -","- C16 H16 K3 N12 O8 W -","- C128 H128 K24 N96 O64 W8 -","8","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","x-ray","0.7107","MoKα","","0.0215","0.0195","","","0.0413","0.0428","","","","","","1.1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4512681","18.2043","0.0008","38.6789","0.0017","8.0104","0.0004","90","","90","","90","","5640.3","0.4","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C224 H256 N32 O64 S16 -","16","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0358","0.0331","","","0.0844","0.0858","","","","","","1.094","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4513523","21.194","0.0002","40.161","0.0006","8.023","0.0016","90","","90","","90","","6829","1.4","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","gitti12","","- C3.097 I1.548 N0.516 O0.774 Pb0.516 -","- C3.09677 I1.54839 N0.516129 O0.774194 Pb0.516129 -","- C96 I48 N16 O24 Pb16 -","31","1.9375","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0401","0.0374","","","0.1017","0.1034","","","","","","1.0303","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4515110","24.128","0.0006","20.9554","0.0005","21.3904","0.0005","90","","90","","90","","10815.2","0.5","100","2","99.99","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","9-[3'-(trifluoroborato)phenyl)]-10-(4""-octyloxyphenyl)acridinium","","- C33 H33 B F3 N O -","- C33 H33 B F3 N O -","- C528 H528 B16 F48 N16 O16 -","16","1","","Durka, Krzysztof; Urban, Mateusz; Dąbrowski, Marek; Jankowski, Piotr; Kliś, Tomasz; Luliński, Sergiusz","Cationic and Betaine-Type Boronated Acridinium Dyes: Synthesis, Characterization, and Photocatalytic Activity.","ACS omega","2019","4","2","2482","2492","10.1021/acsomega.8b03290","","","1.5418","CuKα","","0.0425","0.0393","","","0.105","0.1081","","","","","","1.031","","","","has coordinates","266814","2021-06-30","10:25:21",""
"4515112","39.7847","0.0019","8.9349","0.0004","11.8029","0.0006","90","","90","","90","","4195.6","0.3","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Co N14 O6 -","- C16 H16 Co N14 O6 -","- C128 H128 Co8 N112 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.041","0.0376","","","0.0888","0.0906","","","","","","1.089","","","","has coordinates","220229","2020-10-21","18:00:00",""
"4515114","39.702","0.002","8.8392","0.0004","11.9162","0.0006","90","","90","","90","","4181.8","0.4","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N14 Ni O6 -","- C16 H16 N14 Ni O6 -","- C128 H128 N112 Ni8 O48 -","8","0.5","","Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam","Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.","ACS omega","2019","4","2","2708","2718","10.1021/acsomega.8b03517","","x-ray","1.34139","GaKα","","0.0615","0.056","","","0.143","0.147","","","","","","1.078","","","","has coordinates","220231","2020-10-21","18:00:00",""
"4515389","15.2285","0.0004","40.8194","0.0014","13.2764","0.0005","90","","90","","90","","8252.9","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C11 H8 Cd N6 O4 -","- C11 H8 Cd N6 O4 -","- C176 H128 Cd16 N96 O64 -","16","1","","Das, Prasenjit; Mandal, Sanjay K.","Strategic Design and Functionalization of an Amine-Decorated Luminescent Metal Organic Framework for Selective Gas/Vapor Sorption and Nanomolar Sensing of 2,4,6-Trinitrophenol in Water.","ACS applied materials & interfaces","2018","10","30","25360","25371","10.1021/acsami.8b06339","","","0.71073","MoKα","","0.0238","0.0217","","","0.0487","0.0492","","","","","","1.04","","","","has coordinates","225542","2020-10-21","18:00:00",""
"4515639","32.0833","0.0007","33.7453","0.0007","17.8428","0.0004","90","","90","","90","","19317.7","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H60 Mo N5 O -","- C47 H60 Mo N5 O -","- C752 H960 Mo16 N80 O16 -","16","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0302","0.0272","","","0.0612","0.0625","","","","","","1.021","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515949","25.666","0.004","46.332","0.007","8.4689","0.0013","90","","90","","90","","10071","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H34 Cl N O3 -","- C27 H34 Cl N O3 -","- C432 H544 Cl16 N16 O48 -","16","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0702","0.0549","","","0.1042","0.1101","","","","","","1.041","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4517139","41.3534","0.0006","64.6397","0.0009","8.1309","0.0001","90","","90","","90","","21734.5","0.5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H31 Fe O2 P -","- C30 H31 Fe O2 P -","- C960 H992 Fe32 O64 P32 -","32","2","","Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong","Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer","ACS Macro Letters","2014","3","12","1281","","10.1021/mz5006603","","","0.71073","MoKα","","0.0813","0.0466","","","0.0755","0.079","","","","","","1.314","","","","has coordinates","243460","2020-10-21","18:00:00",""
"4517357","11.181","0.0008","28.583","0.003","12.309","0.001","90","","90","","90","","3933.8","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acac)-(4-pyrrolidino)pyridinozinc(II)","","- C9.5 H13 N O2 Zn0.5 -","- C9.5 H13 N O2 Zn0.5 -","- C152 H208 N16 O32 Zn8 -","16","1","","Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P.","Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures","Crystal Growth & Design","2003","3","5","631","","10.1021/cg0340594","","","0.71073","MoKα","","0.0334","0.03","","","0.0993","0.1027","","","","","","0.963","","","","has coordinates","247260","2020-10-21","18:00:00",""
"4517517","20.222","0.003","18.433","0.003","7.6641","0.0016","90","","90","","90","","2856.8","0.9","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H4 Ca2 O10 -","- C11 H4 Ca2 O10 -","- C88 H32 Ca16 O80 -","8","0.5","","Li, Liangying; Guo, Lidong; Zheng, Fang; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi","Calcium-Based Metal-Organic Framework for Simultaneous Capture of Trace Propyne and Propadiene from Propylene.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03139","","","0.71073","MoKα","","0.0704","0.0597","","","0.1587","0.1705","","","","","","1.057","","","","has coordinates,has disorder","249733","2020-10-21","18:00:00",""
"4517518","19.916","0.004","18.697","0.004","7.67","0.0016","90","","90","","90","","2856.1","1","193","2","193","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H4 Ca2 O10 -","- C11 H4 Ca2 O10 -","- C88 H32 Ca16 O80 -","8","0.5","","Li, Liangying; Guo, Lidong; Zheng, Fang; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi","Calcium-Based Metal-Organic Framework for Simultaneous Capture of Trace Propyne and Propadiene from Propylene.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c03139","","","0.71073","MoKα","","0.0555","0.0544","","","0.1406","0.1421","","","","","","1.072","","","","has coordinates,has disorder","268283","2021-08-30","06:31:23",""
"4518770","19.5031","0.0005","49.3831","0.0015","13.0859","0.0003","90","","90","","90","","12603.3","0.6","170","2","170.04","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H84 Ca2 N8 -","- C48 H84 Ca2 N8 -","- C384 H672 Ca16 N64 -","8","0.5","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0633","0.0478","","","0.1194","0.1313","","","","","","1.045","","","","has coordinates","265730","2021-06-03","19:14:26",""
"5000144","17.6152","0.0005","24.8502","0.0007","3.588","0.0001","90","","90","","90","","1570.62","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C H4 N4 O2 -","- C H4 N4 O2 -","- C16 H64 N64 O32 -","16","1","","Choi, C. S.","Refinement of 2-nitroguanidine by neutron powder diffraction","Acta Crystallographica Section B","1981","37","10","1955","1957","10.1107/S0567740881007735","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000293","20.1345","0.0005","56.083","0.0015","8.2005","0.0002","90","","90","","90","","9260","0.4","112","2","112","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H70 Cl6 Cu3 N6 -","- C38 H70 Cl6 Cu3 N6 -","- C304 H560 Cl48 Cu24 N48 -","8","0.5","","Vedernikov, Andrei N.; Wu, Peng; Huffman, John C.; Caulton, Kenneth G.","Cu(I) and Cu(II) complexes of a pyridine-based pincer ligand","Inorganica Chimica Acta","2002","330","1","103","110","10.1016/S0020-1693(01)00825-8","","","0.71073","MoKα","","","0.0164","","","","0.0209","","","","","","0.5531","","","","has coordinates,has disorder","175836","2020-10-21","18:00:00",""
"6000189","21.411","","11.221","","12.208","","90","","90","","90","","2933.01","","","","","","","","","","","","","5","F d d 2","","","","","","- H4 K2 N5 O17 Pr -","","","","","","Dong, W. T.; Zhang, H. J.; Su, Q. A.; Lin, Y. H.; Wang, S. M.; Zhu, C. S.","Crystal growth, structure, and properties of new nonlinear optical materials: K(2)Ln(NO3)(5) 2H(2)O (Ln = La, Ce, Pr, Nd, Sm)","Journal of Solid State Chemistry","1999","148","","302","307","10.1006/jssc.1999.8451","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000472","22.0237","","22.3722","","7.2962","","90","","90","","90","","3594.97","","","","","","","","","","","","","6","F d d 2","","","","","","- C2 H18 Mn O20 P4 V2 -","","","","","","Barthelet, K.; Jouve, C.; Riou, D.; Ferey, G.","Hybrid open-frameworks: structure determinations and ferromagnetism of MIL-41 or (V(IV)O)(2)M(II)(H2O)(4){HO3P-CH2-PO3}(2).2H(2)O (M = Mn, Co, Ni, Zn): four mixed metallomethylendiphosphonates hydrothermally synthesized by using pre-assembled building units","Solid State Sciences","2000","2","","871","876","10.1016/S1293-2558(00)01093-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000534","10.1676","","14.9638","","5.1004","","90","","90","","90","","776.01","","","","1.5","","","","","","","","","3","F d d 2","","","","","","- C Cl2 F2 -","","","","","","Cockcroft, J. K.; Fitch, A. N.","The structure of solid dichlorodifluoromethane CF2Cl2 by powder neutron-diffraction","Zeitschrift für Kristallographie","1991","197","1-2","121","130","10.1524/zkri.1991.197.1-2.121","","","","","","","","","","","","","","","","","","","","","","176339","2020-10-21","18:00:00",""
"7000118","28.139","0.003","21.789","0.003","22.697","0.003","90","","90","","90","","13916","3","123.1","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28 H44 Cl4 Mo N2 O2 S4 -","- C28 H44 Cl4 Mo N2 O2 S4 -","- C448 H704 Cl64 Mo16 N32 O32 S64 -","16","1","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.038","","","","0.088","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000128","23.911","0.0005","27.178","0.0005","21.8541","0.0005","90","","90","","90","","14202","0.5","150","1","150","1","","","","","","","","6","F d d 2","F 2 -2d","43","(Ru3(CCFc))2)","","","- C69 H60 Cl10 Fe2 N12 Ru3 -","- C69 H60 Cl10 Fe2 N12 Ru3 -","- C552 H480 Cl80 Fe16 N96 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.1019","0.0775","","","0.2113","0.2338","","","","","","1.098","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000129","25.4999","0.0007","26.1497","0.0007","21.5252","0.0006","90","","90","","90","","14353.3","0.7","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","(Ru3(CCPh)2)","","","- C56 H62 N12 O10 Ru3 -","- C56 H62 N12 O10 Ru3 -","- C448 H496 N96 O80 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.1079","0.0835","","","0.2215","0.2444","","","","","","1.079","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000130","24.3107","0.0005","24.5552","0.0005","23.52","0.0004","90","","90","","90","","14040.4","0.5","150","1","150","1","","","","","","","","8","F d d 2","F 2 -2d","43","(Ru3(CCPhOCH3)2)(BF4)","","","- C62 H58 B Cl8 F4 N12 O4 Ru3 -","- C62 H58 B Cl8 F4 N12 O4 Ru3 -","- C496 H464 B8 Cl64 F32 N96 O32 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.0757","0.0592","","","0.1582","0.1725","","","","","","1.079","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000131","23.6843","0.0005","25.8795","0.0005","23.3208","0.0005","90","","90","","90","","14294.2","0.5","150","1","150","1","","","","","","","","7","F d d 2","F 2 -2d","43","(Ru3(CCPhC5H11)2)(BF4)","","","- C70 H70 B Cl8 F4 N12 Ru3 -","- C70 H70 B Cl8 F4 N12 Ru3 -","- C560 H560 B8 Cl64 F32 N96 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.0593","0.0456","","","0.1152","0.1282","","","","","","1.011","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000132","24.6541","0.0009","25.7043","0.0009","21.6051","0.0007","90","","90","","90","","13691.5","0.8","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","(Ru3(CCPhCN)2)","","","- C60 H40 Cl4 N14 Ru3 -","- C60 H40 Cl4 N14 Ru3 -","- C480 H320 Cl32 N112 Ru24 -","8","0.5","","Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming","Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3696","3701","10.1039/b506267e","","","0.71073","MoKα","","0.1156","0.0903","","","0.2488","0.2823","","","","","","1.12","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000268","19.86","0.003","44.375","0.005","10.7534","0.0013","90","","90","","90","","9477","2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C64 H44 Co N6 -","- C64 H44 Co N6 -","- C512 H352 Co8 N48 -","8","0.5","","Palma, Aniello; Gallagher, John F.; Müller-Bunz, Helge; Wolowska, Joanna; McInnes, Eric J.L.; O'Shea, Donal F.","Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes of tetraphenylazadipyrromethene","Dalton Transactions","2009","","2","273","279","10.1039/b811764k","","","0.71073","MoKα","","0.043","0.0387","","","0.0936","0.0957","","","","","","1.038","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000269","19.842","0.003","44.333","0.005","10.7588","0.0014","90","","90","","90","","9464","2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C64 H44 N6 Ni -","- C64 H44 N6 Ni -","- C512 H352 N48 Ni8 -","8","0.5","","Palma, Aniello; Gallagher, John F.; Müller-Bunz, Helge; Wolowska, Joanna; McInnes, Eric J.L.; O'Shea, Donal F.","Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes of tetraphenylazadipyrromethene","Dalton Transactions","2009","","2","273","279","10.1039/b811764k","","","0.71073","MoKα","","0.0694","0.0469","","","0.0866","0.0951","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000270","19.8465","0.0018","44.707","0.004","10.6333","0.001","90","","90","","90","","9434.7","1.5","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C64 H44 Cu N6 -","- C64 H44 Cu N6 -","- C512 H352 Cu8 N48 -","8","0.5","","Palma, Aniello; Gallagher, John F.; Müller-Bunz, Helge; Wolowska, Joanna; McInnes, Eric J.L.; O'Shea, Donal F.","Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes of tetraphenylazadipyrromethene","Dalton Transactions","2009","","2","273","279","10.1039/b811764k","","","0.71073","MoKα","","0.0451","0.0397","","","0.0942","0.0965","","","","","","1.054","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000271","19.884","0.002","44.428","0.004","10.7669","0.0011","90","","90","","90","","9511.5","1.6","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C64 H44 N6 Zn -","- C64 H44 N6 Zn -","- C512 H352 N48 Zn8 -","8","0.5","","Palma, Aniello; Gallagher, John F.; Müller-Bunz, Helge; Wolowska, Joanna; McInnes, Eric J.L.; O'Shea, Donal F.","Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes of tetraphenylazadipyrromethene","Dalton Transactions","2009","","2","273","279","10.1039/b811764k","","","0.71073","MoKα","","0.038","0.0342","","","0.0774","0.079","","","","","","1.069","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000771","47.992","0.01","57.798","0.012","12.112","0.002","90","","90","","90","","33597","11","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C90 H78 Cl3 N14 O12 Tb -","- C90 H78 Cl3 N14 O12 Tb -","- C1440 H1248 Cl48 N224 O192 Tb16 -","16","1","","Pan, Mei; Zheng, Xiang-Li; Liu, Yu; Liu, Wei-Sheng; Su, Cheng-Yong","Structural and photoluminescent studies of lanthanide complexes with tripodal triRNTB (N-substituted tris(benzimidazol-2-ylmethyl)amine): ligand substituent, anionic and secondary ligand effects","Dalton Transactions","2009","","12","2157","2169","10.1039/b818322h","","","0.71073","MoKα","","0.1009","0.0795","","","0.181","0.1926","","","","","","1.11","","","","has coordinates,has disorder","179685","2020-10-21","18:00:00",""
"7001037","18.425","0.004","30.69","0.006","9.297","0.0019","90","","90","","90","","5257.1","1.9","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H28 B2 Fe -","- C34 H28 B2 Fe -","- C272 H224 B16 Fe8 -","8","0.5","","Kaufmann, Linda; Breunig, Jens-Michael; Vitze, Hannes; Schödel, Frauke; Nowik, Israel; Pichlmaier, Markus; Bolte, Michael; Lerner, Hans-Wolfram; Winter, Rainer F.; Herber, Rolfe H.; Wagner, Matthias","Electronic communication in oligonuclear ferrocene complexes with anionic four-coordinate boron bridges","Dalton Transactions","2009","","16","2940","2950","10.1039/b821406a","","","0.71073","MoKα","","0.0521","0.0372","","","0.071","0.0788","","","","","","1.01","","","","has coordinates","209589","2020-10-21","18:00:00",""
"7001201","22.447","0.0006","55.158","0.0013","21.201","0.0005","90","","90","","90","","26249.6","1.1","150","2","150","2","","","","","","","Giorgos Karotsis","5","F d d 2","F 2 -2d","43","","","","- C130 H158 N8 Ni8 O23 -","- C122 H118 N8 Ni8 O21 -","- C976 H944 N64 Ni64 O168 -","8","0.5","","Karotsis, Georgios; Stoumpos, Constantinos; Collins, Anna; White, Fraser; Parsons, Simon; Slawin, Alexandra M. Z.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Molecular and supramolecular Ni(II) wheels from α-benzoin oxime","Dalton Transactions","2009","","18","3388","3390","10.1039/b902002k","","","0.71073","MoKα","","0.0623","0.0551","","","0.119","0.1219","","","","","","1.124","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001378","33.934","0.003","68.417","0.009","6.7986","0.0007","90","","90","","90","","15784","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","manuscript number B901192G","manuscript number B901192G","","- C17 H32 Ni P2 S -","- C17 H32 Ni P2 S -","- C544 H1024 Ni32 P64 S32 -","32","2","","Ariyananda, Piyal W. G.; Kieber-Emmons, Matthew T.; Yap, Glenn P. A.; Riordan, Charles G.","Synthetic analogs for evaluating the influence of N‒H⋯S hydrogen bonds on the formation of thioester in acetyl coenzyme a synthase","Dalton Transactions","2009","","22","4359","4369","10.1039/b901192g","","","0.71073","MoKα","","0.0231","0.0219","","","0.0525","0.0535","","","","","","1.027","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001583","15.856","0.003","30.592","0.006","7.431","0.0015","90","","90","","90","","3604.5","1.2","103","2","103","2","","","","","","","","4","F d d 2","F 2 -2d","43","(Mn(N3)2(Me-pyz))n","","","- C5 H6 Mn N8 -","- C5 H6 Mn N8 -","- C80 H96 Mn16 N128 -","16","1","","Vicente, Ramon; Bitschnau, Brigitte; Egger, Andreas; Sodin, Beate; Mautner, Franz A.","Rational design of manganese-μ-azido 3D compounds by using diazines as co-ligands: synthesis, structure and magnetic behaviour","Dalton Transactions","2009","","26","5120","5126","10.1039/b900417c","","","0.71073","MoKα","","0.0665","0.0512","","0.1042","","0.094","","","1.123","","","1.118","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7002151","16.8246","0.0008","33.419","0.002","14.0874","0.0008","90","","90","","90","","7920.8","0.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H44 N8 O4 Zn2 -","- C36 H44 N8 O4 Zn2 -","- C288 H352 N64 O32 Zn16 -","8","0.5","","Sarma, Rupam; Kalita, Dipjyoti; Baruah, Jubaraj B.","Solvent induced reactivity of 3,5-dimethylpyrazole towards zinc (II) carboxylates","Dalton Transactions","2009","","36","7428","7436","10.1039/b905534g","","","0.71073","MoKα","","0.0477","0.033","","","0.0797","0.0873","","","","","","1.014","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002566","28.606","0.008","30.227","0.009","13.172","0.004","90","","90","","90","","11389","6","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28 H20 Cl2 N2 O2 S2 Zr -","- C28 H20 Cl2 N2 O2 S2 Zr -","- C448 H320 Cl32 N32 O32 S32 Zr16 -","16","1","","Jia, Ai-Quan; Jin, Guo-Xin","Syntheses, characterization, and ethylene polymerization of titanium and zirconium complexes with [N, O] ligands","Dalton Transactions","2009","","41","8838","8845","10.1039/b907598d","","","0.71073","MoKα","","0.0541","0.0362","","","0.0734","0.0802","","","","","","0.868","","","","has coordinates","209615","2020-10-21","18:00:00",""
"7003044","25.057","0.003","43.374","0.004","10.3758","0.001","90","","90","","90","","11277","2","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H26 Cl2 N2 -","- C35 H26 Cl2 N2 -","- C560 H416 Cl32 N32 -","16","1","","Ollagnier, Cecile M. A.; Perera, Sarath D.; Fitchett, Christopher M.; Draper, Sylvia M.","Rhodium and palladium complexes of a pyridyl-centred polyphenylene derivative","Dalton Transactions","2008","","2","283","290","10.1039/b709818a","","","0.71073","MoKα","","0.11","0.0602","","","0.1223","0.1423","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003271","40.5755","0.0005","8.3206","0.0001","15.3233","0.0002","90","","90","","90","","5173.34","0.11","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H42 B8 Ir2 -","- C20.04 H30.06 B8 Ir2 -","- C160.32 H240.48 B64 Ir16 -","8","0.5","","Ghosh, Sundargopal; Noll, Bruce C.; Fehlner, Thomas P.","Expansion of iridaborane clusters by addition of monoborane. Novel metallaboranes and mechanistic detail","Dalton Transactions","2008","","3","371","","10.1039/b715040g","","x-ray","0.71073","MoKα","","0.0286","0.0273","","","0.068","0.0692","","","","","","1.089","","","","has coordinates,has disorder","179736","2020-10-21","18:00:00",""
"7003674","28.4093","0.0011","29.0074","0.0015","5.7657","0.0002","90","","90","","90","","4751.4","0.3","173.1","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C224 H192 N64 -","16","1","","Obata, Makoto; Kitamura, Asuka; Mori, Akemi; Kameyama, Chiaki; Czaplewska, Justyna A.; Tanaka, Rika; Kinoshita, Isamu; Kusumoto, Toshiyuki; Hashimoto, Hideki; Harada, Masafumi; Mikata, Yuji; Funabiki, Takuzo; Yano, Shigenobu","Syntheses, structural characterization and photophysical properties of 4-(2-pyridyl)-1,2,3-triazole rhenium(i) complexes","Dalton Transactions","2008","","25","3292","3300","10.1039/b718538c","","","0.7107","MoKα","","","0.0294","","","","0.0353","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003718","9.783","0.0002","21.201","0.0004","27.811","0.0005","90","","90","","90","","5768.26","0.19","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H38 Cd N4 O10 -","- C26 H38 Cd N4 O10 -","- C208 H304 Cd8 N32 O80 -","8","0.5","","Burrows, Andrew D.; Cassar, Kevin; Düren, Tina; Friend, Richard M. W.; Mahon, Mary F.; Rigby, Sean P.; Savarese, Teresa L.","Syntheses, structures and properties of cadmium benzenedicarboxylate metal‒organic frameworks","Dalton Transactions","2008","","18","2465","2474","10.1039/b718947h","","","0.71073","MoKα","","0.0268","0.0225","","","0.0494","0.0509","","","","","","1.086","","","","has coordinates,has disorder","179741","2020-10-21","18:00:00",""
"7004202","29.985","0.004","10.0574","0.0014","13.4896","0.0019","90","","90","","90","","4068.1","1","172","2","172","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H32 N6 Zr -","- C18 H32 N6 Zr -","- C144 H256 N48 Zr8 -","8","0.5","","Barnea, Eyal; Odom, Aaron L.","Zirconium complexes bearing a tetradentate dipyrrolyl ligand","Dalton Transactions","2008","","30","4050","4054","10.1039/B804172E","","","0.71073","MoKα","","0.044","0.0421","","","0.0939","0.0944","","","","","","1.367","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004225","19.6387","0.0018","75.329","0.006","18.0855","0.0017","90","","90","","90","","26755","4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H73 Mn9 O45 P2 -","- C32 H57 Mn9 O45 P2 -","- C512 H912 Mn144 O720 P32 -","16","1","","Wang, Mei; Ma, Chengbing; Chen, Changneng","Synthesis and characterization of nona- and trideca-nuclear manganese phosphonate clusters","Dalton Transactions","2008","","34","4612","","10.1039/b804532a","","","0.71073","MoKα","","","0.0719","","","0.1838","0.2043","","","","","","1.034","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004344","21.952","0.004","30.898","0.007","11.369","0.005","90","","90","","90","","7711","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H19 Ag N2 O5 S -","- C20 H19 Ag N2 O5 S -","- C320 H304 Ag16 N32 O80 S16 -","16","1","","Wu, Hua; Dong, Xian-Wu; Liu, Hai-Yan; Ma, Jian-Fang; Li, Shun-Li; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of anionic sulfonate-containing co-ligands on the solid structures of silver complexes supported by 4,4′-bipyridine bridges","Dalton Transactions","2008","","39","5331","5341","10.1039/b806195e","","","0.71069","MoKα","","0.0998","0.0453","","","0.0895","0.1036","","","","","","0.862","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004356","23.8317","0.0012","12.7975","0.0007","20.151","0.0011","90","","90","","90","","6145.8","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H34 Cd N6 O6 -","- C30 H34 Cd N6 O6 -","- C240 H272 Cd8 N48 O48 -","8","0.5","","Fu, Da-Wei; Zhang, Wen; Xiong, Ren-Gen","The first metal‒organic framework (MOF) of Imazethapyr and its SHG, piezoelectric and ferroelectric properties","Dalton Transactions","2008","","30","3946","3948","10.1039/b806255b","","","0.71073","MoKα","","0.0403","0.0347","","","0.0853","0.0892","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7006308","23.916","0.015","39.8","0.03","16.666","0.01","90","","90","","90","","15864","18","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C92 H60 Cu8 N20 -","- C92 H60 Cu8 N20 -","- C736 H480 Cu64 N160 -","8","0.5","","Zhou, Yongbo; Chen, Wanzhi","Novel neutral octanuclear copper(I) complexes stabilized by pyridine linked bis(pyrazolate) ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5123","5125","10.1039/b712411b","","","0.71073","MoKα","","0.1842","0.0769","","","0.1827","0.2268","","","","","","0.906","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7007158","41.33","0.005","8.3836","0.0019","12.939","0.003","90","","90","","90","","4483.3","1.6","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","dibromobis(1,10-phenanthroline-5,6-dione)copper(ii)","dibromobis(1,10-phenanthroline-5,6-dione)copper(II)","","- C24 H12 Br2 Cu N4 O4 -","- C24 H12 Br2 Cu N4 O4 -","- C192 H96 Br16 Cu8 N32 O32 -","8","0.5","","Stephenson, Maria D.; Hardie, Michaele J.","Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3407","3417","10.1039/b600357e","","","0.71073","MoKα","","0.1036","0.0862","","","0.2072","0.2163","","","","","","0.982","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007468","20.016","0.002","68.506","0.009","5.946","0.0007","90","","90","","90","","8153.3","1.7","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","1-(2-diphenylphosphino-isopropyl)-4-methyl-piperazine hydrochloride","1-(2-diphenylphosphino-isopropyl)-4-methyl-piperazine hydrochloride","","- C20 H28 Cl N2 P -","- C20 H28 Cl N2 P -","- C320 H448 Cl16 N32 P16 -","16","1","","Anderson, Carly E.; Apperley, David C.; Batsanov, Andrei S.; Dyer, Philip W.; Howard, Judith A. K.","Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.","Dalton transactions (Cambridge, England : 2003)","2006","","34","4134","4145","10.1039/b605995c","","","0.71073","MoKα","","0.0909","0.0711","","","0.1554","0.1639","","","","","","1.132","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007684","22.8108","0.0007","24.1768","0.001","8.9796","0.0003","90","","90","","90","","4952.2","0.3","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H21 B8 N -","- C6 H21 B8 N -","- C96 H336 B128 N16 -","16","1","","Janousek, Zbynek; Dostál, Radim; Machácek, Jan; Hnyk, Drahomír; Stíbr, Bohumil","The first member of the eleven-vertex azadicarbaborane series, 1,6,9-NC2B8H13, and its N-alkyl derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4664","4671","10.1039/b608857k","","","0.71073","MoKα","","0.0456","0.0378","","","0.0855","0.0893","","","","","","1.046","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007870","17.578","0.003","25.708","0.005","10.673","0.002","90","","90","","90","","4823.1","1.5","213","2","213","2","","","","","","","","3","F d d 2","F 2 -2d","43","H2mpeptea","","","- C27 H25 N9 -","- C27 H25 N9 -","- C216 H200 N72 -","8","0.5","","Cotton, F. Albert; Chao, Hui; Murillo, Carlos A.; Wang, Qingsheng","A trimetal chain cocooned by two heptadentate polypyridylamide ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5416","5422","10.1039/b612076h","","","0.71073","MoKα","","0.0529","0.0435","","","0.1097","0.1168","","","","","","1.038","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007875","24.6279","0.0004","29.1485","0.0004","15.3707","0.0003","90","","90","","90","","11034.1","0.3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C58 H50 N12 Ni3 O8 S4 -","- C58 H50 N12 Ni3 O8 S4 -","- C464 H400 N96 Ni24 O64 S32 -","8","0.5","","Huang, Ming-Yi; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","Control of magnetic spin states by various mixed anionic ligands in trinickel complexes: synthesis, crystal structures and physical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5683","5690","10.1039/b612123c","","","0.71073","MoKα","","0.0445","0.0337","","","0.0791","0.084","","","","","","1.048","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7008606","25.738","0.003","8.2241","0.0009","12.2965","0.0014","90","","90","","90","","2602.8","0.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H12 N2 O2 S2 Zn -","- C12 H12 N2 O2 S2 Zn -","- C96 H96 N16 O16 S16 Zn8 -","8","0.5","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0327","0.0321","","","0.0803","0.0806","","","","","","1.144","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7009645","24.419","0.005","31.207","0.005","8.475","0.005","90","0.005","90","0.005","90","0.005","6458","4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H26 Cu N4 O4 -","- C14 H22 Cu N4 O4 -","- C224 H352 Cu16 N64 O64 -","16","1","","Barbaro, Pierluigi; Bianchini, Claudio; Capannesi, Geraldo; Di Luca, Lorella; Laschi, Franco; Petroni, Debora; Salvadori, Piero A.; Vacca, Alberto; Vizza, Francesco","Synthesis and characterization of the tetraazamacrocycle 4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diacetic acid (H2Me2DO2A) and of its neutral copper(II) complex [Cu(Me2DO2A)]. A new 64Cu-labeled macrocyclic complex for positron emission tomography imaging †","Journal of the Chemical Society, Dalton Transactions","2000","","14","2393","","10.1039/b002441o","","","0.71069","MoKα","","0.0372","0.0318","","0.0864","0.0835","","","","1.071","1.076","1.076","","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7010666","15.2109","0.0006","11.7281","0.0005","14.1821","0.0006","90","","90","","90","","2530.02","0.18","298","","298","","","","","","","","hydrothermal reaction","6","F d d 2","F 2 -2d","43","","","","- C2 H14 N6 O6 P2 Zn -","- C2 H14 N6 O6 P2 Zn -","- C16 H112 N48 O48 P16 Zn8 -","8","0.5","","Harrison, William T. A.; Phillips, Mark L. F.; Nenoff, Tina M.","(CN3H6)2·Zn(HPO3)2: An open-framework zincophosphite built up from polyhedral 12-rings","Journal of the Chemical Society, Dalton Transactions","2001","","17","2459","","10.1039/b102007m","","","0.71073","MoKα","","","0.0203","","","","0.0246","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010728","21.6703","0.0009","38.6235","0.0005","7.8367","0.0002","90","","90","","90","","6559.2","0.3","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","trans(Cl)-[Ru(4,4'-NObpy)(CO)2Cl2]","","","- C12 H6 Cl2 N4 O6 Ru -","- C12 H6 Cl2 N4 O6 Ru -","- C192 H96 Cl32 N64 O96 Ru16 -","16","1","","Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen","Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes","J. Chem. Soc., Dalton Trans.","2001","","18","2649","2654","10.1039/b103067c","","","0.71073","MoKα","","0.0275","0.0242","","","0.0458","0.0467","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010792","21.345","0.001","53.473","0.003","9.0756","0.0005","90","","90","","90","","10358.7","0.9","120","","120","","","","","","","","","8","F d d 2","F 2 -2d","43","[Fetpenol](PF6)","[Fetpenol](PF6)","","- C22 H27 Cl F6 Fe N5 O P -","- C22 H27 Cl F6 Fe N5 O P -","- C352 H432 Cl16 F96 Fe16 N80 O16 P16 -","16","1","","Alan Hazell; Christine J. McKenzie; Lars Preuss Nielsen; Siegfried Schindler; Markus Weitzer","Mononuclear non-heme iron(III) peroxide complexes: syntheses, characterisation, mass spectrometric and kinetic studies","J. Chem. Soc., Dalton Trans.","2002","","3","310","317","10.1039/b103844n","","","0.71073","MoKα","","","0.027","","","","0.037","","","","","","1.121","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7010840","33.92","0.006","43.787","0.003","11.445","0.002","90","","90","","90","","16999","4","153","2","153","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C24 H53 Ag3 F9 N8 O11.5 S3 -","- C24 H53 Ag3 F9 N8 O11.5 S3 -","- C384 H848 Ag48 F144 N128 O184 S48 -","16","1","","McKee, Vickie; Nelson, Jane; Speed, David J.; Town, Raewyn M.","Conformational and coordination plasticity in silver(i) cryptates","Journal of the Chemical Society, Dalton Transactions","2001","","24","3641","","10.1039/b104434f","","","0.71073","MoKα","","0.0615","0.0413","","","0.066","0.0717","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011294","22.7468","0.0001","41.1307","0.0007","13.0308","0.0002","90","","90","","90","","12191.5","0.3","180","2","180","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C40 H30 F24 Fe2 N16 O8 P4 -","- C43 H30 F24 Fe2 N16 O8 P4 -","- C344 H240 F192 Fe16 N128 O64 P32 -","8","0.5","","Jacqueline Hamblin; Alexander Jackson; Nathaniel W. Alcock; Michael J. Hannon","Triple helicates and planar dimers arising from silver(I) coordination to directly linked bis-pyridylimine ligands","J. Chem. Soc., Dalton Trans.","2002","","8","1635","1641","10.1039/b110137b","","","0.71073","MoKα","","0.1109","0.0809","","","0.1547","0.1739","","","","","","1.198","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011583","13.56","0.005","47.533","0.005","10.781","0.005","90","0.005","90","0.005","90","0.005","6949","4","293","2","293","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","Ni(oda)(bipy)(H2O).1.5H2O","","","- C14 H19 N2 Ni O8.5 -","- C14 H19 N2 Ni O8.5 -","- C224 H304 N32 Ni16 O136 -","16","1","","Abdessamad Grirrane; Antonio Pastor; Andrea Ienco; Carlo Mealli; Agustín Galindo","Synthesis and molecular structure of oxydiacetate complexes of nickel(II) and cobalt(II). Theoretical analysis of the planar and non-planar conformations of oxydiacetate ligand and oxydiacetic acid","J. Chem. Soc., Dalton Trans.","2002","","19","3771","3777","10.1039/b201885c","","x-ray","0.71069","MoKα","","0.0342","0.0281","","","0.0766","0.0802","","","","","","1.148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011584","13.646","0.006","47.908","0.009","10.752","0.004","90","","90","","90","","7029","4","293","2","293","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","Co(oda)(bipy)(H2O).1.5H2O","","","- C14 H19 Co N2 O8.5 -","- C14 H19 Co N2 O8.5 -","- C224 H304 Co16 N32 O136 -","16","1","","Abdessamad Grirrane; Antonio Pastor; Andrea Ienco; Carlo Mealli; Agustín Galindo","Synthesis and molecular structure of oxydiacetate complexes of nickel(II) and cobalt(II). Theoretical analysis of the planar and non-planar conformations of oxydiacetate ligand and oxydiacetic acid","J. Chem. Soc., Dalton Trans.","2002","","19","3771","3777","10.1039/b201885c","","x-ray","0.71073","mokα","","0.0319","0.0295","","","0.0715","0.0732","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012084","26.6838","0.0006","53.8252","0.0014","9.4022","0.0002","90","","90","","90","","13504","0.5","173","2","173","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","[MesNPPh2CH2PPh2NPh].1/2(H2O)","","","- C40 H39 N2 O0.5 P2 -","- C40 H39 N2 O0.5 P2 -","- C640 H624 N32 O8 P32 -","16","1","","Hill, Michael S.; Hitchcock, Peter B.","Synthesis of C2 and Cs symmetric zinc complexes supported by bis(phosphinimino)methyl ligands and their use in ring opening polymerisation catalysis","Journal of the Chemical Society, Dalton Transactions","2002","","24","4694","","10.1039/b207358g","","x-ray","0.71073","MoKα","","0.0581","0.0429","","","0.0883","0.0947","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012122","16.1148","0.0013","65.387","0.005","9.1219","0.0008","90","","90","","90","","9611.7","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C42 H70 P4 Pt2 -","- C42 H70 P4 Pt2 -","- C336 H560 P32 Pt16 -","8","0.5","","Wong, Wai-Yeung; Wong, Chun-Kin; Lu, Guo-Liang; Cheah, Kok-Wai; Shi, Jian-Xin; Lin, Zhenyang","Synthesis, structures and optical spectroscopy of photoluminescent platinum-linked poly(silylacetylenes)","Journal of the Chemical Society, Dalton Transactions","2002","","24","4587","","10.1039/b207575j","","","0.71073","MoKα","","0.0365","0.0346","","","0.0891","0.0902","","","","","","1.056","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012484","19.399","0.01","41.78","0.02","10.915","0.005","90","","90","","90","","8847","7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H46 Cl2 N4 P2 Pt -","- C50 H46 Cl2 N4 P2 Pt -","- C400 H368 Cl16 N32 P16 Pt8 -","8","0.5","","Li, Qing-Shan; Xu, Feng-Bo; Cui, Da-Jun; Yu, Kai; Zeng, Xian-Shun; Leng, Xue-Bing; Song, Hai-Bin; Zhang, Zheng-Zhi","Heterobimetallic Pt(ii)‒M(i) (M = Cu, Ag) eight-membered macrocyclic complexes with large-bite P,N-ligand bridgesElectronic supplementary information (ESI) available: UV-vis absorption spectra and the fluorescence excitation and emission spectra of complexes 3 and 5. See http://www.rsc.org/suppdata/dt/b2/b211301p/","Dalton Transactions","2003","","8","1551","","10.1039/b211301p","","","0.71073","MoKα","","0.0741","0.0565","","","0.1369","0.1466","","","","","","1.02","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012627","15.8249","0.0011","81.248","0.006","5.3089","0.0004","90","","90","","90","","6825.9","0.9","90","2","90","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H12 N6 O3 V Zn0.5 -","- C18 H12 N6 O3 V Zn0.5 -","- C288 H192 N96 O48 V16 Zn8 -","16","1","","Rarig, Jr., Randy S.; Zubieta, Jon","Solid state coordination chemistry: secondary metal‒ligand influences on the structures of vanadium oxides. Hydrothermal syntheses and structures of [Zn(tpytrz)2V2O6], [Zn3(tpytrz)2(H2O)2V6O18]·6H2O and [Cu3(tpytrz)2(H2O)2V8O23]·3H2O (tpytrz = 2,4,6-tri(4-pyridyl)-1,3,5-triazine)Electronic supplementary information (ESI) available: colour versions of Fig. 1‒3. See http://www.rsc.org/suppdata/dt/b2/b212458k/","Dalton Transactions","2003","","9","1861","","10.1039/b212458k","","","0.71073","MoKα","","0.0435","0.0413","","","0.1015","0.1026","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013133","40.391","0.003","7.4568","0.0004","17.4247","0.0008","90","","90","","90","","5248.1","0.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H21 N4 O12 P3 Zn2 -","- C24 H20 N4 O12 P3 Zn2 -","- C192 H160 N32 O96 P24 Zn16 -","8","0.5","","Lin, Zhi-En; Yao, You-Wei; Zhang, Jie; Yang, Guo-Yu","Isolation of a monomeric hybrid zinc phosphate and its one-dimensional relative","Dalton Transactions","2003","","16","3160","","10.1039/b304778d","","","0.71073","MoKα","","","0.0335","","","0.08","0.0847","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013625","22.81","0.002","41.698","0.004","10.4693","0.0011","90","","90","","90","","9957.7","1.7","143","2","143","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H26 Au B10 P Se -","- C20 H26 Au B10 P Se -","- C320 H416 Au16 B160 P16 Se16 -","16","1","","Silvia Canales; Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna; Pilar Romero","Gold and silver derivatives with the carborane-selenolate ligand [B10H11C2Se]−","Dalton Trans.","2003","","23","4525","4528","10.1039/b310658f","","","0.71073","MoKα","","0.0268","0.0252","","","0.058","0.0585","","","","","","1.098","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013645","26.6696","0.0001","41.0358","0.0002","7.9862","0.0001","90","","90","","90","","8740.16","0.12","203","2","203","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H26 Cl Co N4 O9 -","- C18 H26 Cl Co N4 O9 -","- C288 H416 Cl16 Co16 N64 O144 -","16","1","","Craig, Peter R.; Brothers, Penelope J.; Clark, George R.; Wilson, William R.; Denny, William A.; Ware, David C.","Anionic carbonato and oxalato cobalt(III) nitrogen mustard complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","611","618","10.1039/b311091e","","","0.71073","MoKα","","0.0413","0.0404","","","0.1097","0.1109","","","","","","1.065","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013765","31.1608","0.0003","34.5218","0.0007","14.8525","0.0001","90","","90","","90","","15977.2","0.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H56 Eu N2 O2 Si2 -","- C36 H56 Eu N2 O2 Si2 -","- C576 H896 Eu16 N32 O32 Si32 -","16","1","","Zhang, Kehua; Zhang, Wu; Wang, Shaowu; Sheng, Enhong; Yang, Gaosheng; Xie, Meihua; Zhou, Shuangliu; Feng, Yan; Mao, Lili; Huang, Zixiang","Homolysis of the Ln-N (Ln = Yb, Eu) bond. Synthesis, structural characterization and catalytic activity of ytterbium(II) and europium(II) complexes with methoxyethyl functionalized indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1029","1037","10.1039/b314115b","","","0.71073","MoKα","","0.0398","0.0324","","","0.0682","0.0731","","","","","","1.175","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7014091","35.234","0.002","35.516","0.002","9.4836","0.0005","90","","90","","90","","11867.5","1.1","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23.5 H40 B Cl Co N6 S3 -","- C21 H34 B Cl Co N6 S3 -","- C336 H544 B16 Cl16 Co16 N96 S48 -","16","1","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.0433","0.0397","","","0.0944","0.0964","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014095","34.694","0.002","40.456","0.002","19.3445","0.0013","90","","90","","90","","27152","3","243","2","243","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C42 H68 B2 Br Co2 F6 N12 P S6 -","- C42 H68 B2 Br Co2 F6 N12 P S6 -","- C672 H1088 B32 Br16 Co32 F96 N192 P16 S96 -","16","1","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.0983","0.0502","","","0.1279","0.1485","","","","","","1.001","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014376","37.169","0.008","10.175","0.002","16.851","0.004","90","","90","","90","","6373","2","250","2","250","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H52 Mg N4 P2 S2 -","- C22 H52 Mg N4 P2 S2 -","- C176 H416 Mg8 N32 P16 S16 -","8","0.5","","Meinholz, Margret M.; Pandey, Sushil K.; Deuerlein, Stephan M.; Stalke, Dietmar","Access to new Janus head ligands: linking sulfur diimides and phosphanes for hemilabile tripodal scorpionates.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1662","1671","10.1039/c0dt00665c","","","0.71073","MoKα","","0.0497","0.0462","","","0.1156","0.1172","","","","","","1.148","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014504","56.211","0.003","29.8431","0.0018","30.793","0.0018","90","","90","","90","","51656","5","187","2","187","2","","","","","","","","5","F d d 2","F 2 -2d","43","(Mn4(C48H28O4S4)2)2 (C60)","","","- C252 H112 Mn8 O16 S16 -","- C252 H112 Mn8 O16 S16 -","- C2016 H896 Mn64 O128 S128 -","8","0.5","","Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie","Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1849","1851","10.1039/c0dt00913j","","","0.71073","MoKα","","0.1287","0.0869","","","0.2144","0.2367","","","","","","0.948","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7014505","57.682","0.002","30.0183","0.0012","30.768","0.0013","90","","90","","90","","53275","4","187","2","187","2","","","","","","","","5","F d d 2","F 2 -2d","43","(Mn4(C48H28O4S4)2)2 (C70)","","","- C262 H112 Mn8 O16 S16 -","- C262 H112 Mn8 O16 S16 -","- C2096 H896 Mn64 O128 S128 -","8","0.5","","Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie","Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","1849","1851","10.1039/c0dt00913j","","","0.71073","MoKα","","0.1303","0.0877","","","0.2176","0.2387","","","","","","0.956","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7014818","33.355","0.003","72.867","0.007","12.9923","0.0015","90","","90","","90","","31578","6","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C92 H78 Eu N14 -","- C92 H78 Eu N14 -","- C1472 H1248 Eu16 N224 -","16","1","","Wu, Xingcui; Lv, Wei; Wang, Quanbo; Wang, Hailong; Zhang, Xiaomei; Jiang, Jianzhuang","Sandwich-type mixed (phthalocyaninato)(porphyrinato) rare earth double-decker complexes with decreased molecular symmetry of Cs: single crystal structure and self-assembled nano-structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","107","113","10.1039/c0dt01200a","","","0.71073","MoKα","","0.1209","0.0817","","","0.2033","0.2369","","","","","","1.035","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7015668","49.456","0.005","22.407","0.0014","8.2534","0.0007","90","","90","","90","","9146.1","1.3","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C54 H44 Cd Cl2 Fe2 N2 P2 -","- C54 H44 Cd Cl2 Fe2 N2 P2 -","- C432 H352 Cd8 Cl16 Fe16 N16 P16 -","8","0.5","","Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr","The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4722","4740","10.1039/c0dt01810d","","","0.71073","MoKα","","0.0568","0.0408","","","0.0759","0.0797","","","","","","0.919","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015940","46","0.006","47.725","0.006","8.9835","0.0012","90","","90","","90","","19722","4","203","2","203","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C47.5 H51 Ag F3 N3 O3 S -","- C47.5 H51 Ag F3 N3 O3 S -","- C760 H816 Ag16 F48 N48 O48 S16 -","16","1","","Jurca, Titel; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin S.","Novel pincer complexes of Ag(I), coordination of toluene and their comparison with indium analogues.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4394","4396","10.1039/c1dt10411j","","","0.71073","MoKα","","0.1037","0.068","","","0.1699","0.1966","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015986","29.5088","0.0011","12.3701","0.0005","23.6337","0.0011","90","","90","","90","","8626.9","0.6","296.1","0.1","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H24 Fe2 N24 Ru -","- C42 H24 Fe2 N24 Ru -","- C336 H192 Fe16 N192 Ru8 -","8","0.5","","Sen, Rupam; Koner, Subratanath; Bhattacharjee, Ashis; Kusz, Joachim; Miyashita, Yoshitaro; Okamoto, Ken-Ichi","Entrapment of [Ru(bpy)(3)](2+) in the anionic metal-organic framework: Novel photoluminescence behavior exhibiting dual emission at room temperature.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6952","6960","10.1039/c0dt01647k","","","0.7107","MoKα","","","0.0251","","","","0.0629","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015987","12.4172","0.0007","29.0323","0.0012","23.869","0.008","90","","90","","90","","8605","3","100","1","100","1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H24 Mn2 N24 Ru -","- C42 H24 Mn2 N24 Ru -","- C336 H192 Mn16 N192 Ru8 -","8","0.5","","Sen, Rupam; Koner, Subratanath; Bhattacharjee, Ashis; Kusz, Joachim; Miyashita, Yoshitaro; Okamoto, Ken-Ichi","Entrapment of [Ru(bpy)(3)](2+) in the anionic metal-organic framework: Novel photoluminescence behavior exhibiting dual emission at room temperature.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6952","6960","10.1039/c0dt01647k","","","0.71073","MoKα","","0.0207","0.02","","","0.0525","0.0527","","","","","","1.072","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016030","17.2035","0.0004","65.6989","0.0016","7.8148","0.0002","90","","90","","90","","8832.7","0.4","223","2","223","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H31 Fe N O4 -","- C24 H31 Fe N O4 -","- C384 H496 Fe16 N16 O64 -","16","1","","Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6984","6991","10.1039/c0dt01839b","","","0.71073","MoKα","","0.0662","0.055","","","0.1294","0.1382","","","","","","1.062","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7016039","30.938","0.002","8.685","0.003","19.4606","0.001","90","","90","","90","","5229","1.9","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H45 N6 Sc Si3 -","- C17 H45 N6 Sc Si3 -","- C136 H360 N48 Sc8 Si24 -","8","0.5","","Buffet, Jean-Charles; Okuda, Jun","Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7748","7754","10.1039/c1dt10075k","","","0.71073","MoKα","","0.0589","0.0418","","","0.0767","0.0828","","","","","","0.881","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016160","22.585","0.005","26.749","0.006","9.093","0.002","90","","90","","90","","5493","2","203","2","203","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H34 Cl2 N4 Si Ti -","- C24 H34 Cl2 N4 Si Ti -","- C192 H272 Cl16 N32 Si8 Ti8 -","8","0.5","","Bai, Sheng-Di; Guan, Fei; Hu, Min; Yuan, Shi-Fang; Guo, Jian-Ping; Liu, Dian-Sheng","Mononuclear titanium compounds based on the silyl-linked bis(amidinate) ligand: synthesis, characterization and ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7686","7688","10.1039/c1dt10365b","","","0.71073","MoKα","","0.0558","0.049","","","0.112","0.1157","","","","","","1.065","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016161","22.957","0.015","26.99","0.018","9.165","0.006","90","","90","","90","","5679","6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H40 N4 Si Ti -","- C26 H40 N4 Si Ti -","- C208 H320 N32 Si8 Ti8 -","8","0.5","","Bai, Sheng-Di; Guan, Fei; Hu, Min; Yuan, Shi-Fang; Guo, Jian-Ping; Liu, Dian-Sheng","Mononuclear titanium compounds based on the silyl-linked bis(amidinate) ligand: synthesis, characterization and ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7686","7688","10.1039/c1dt10365b","","","0.71073","MoKα","","0.0866","0.0692","","","0.1674","0.1818","","","","","","1.077","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016190","37.5021","0.0005","47.41","0.0007","12.6919","0.0002","90","","90","","90","","22565.9","0.6","123","1","123","1","","","","","","","see text","7","F d d 2","F 2 -2d","43","","","","- C96 H144 I4 Li8 N18 O15 Sn -","- C96 H144 I4 Li8 N18 O15 Sn -","- C768 H1152 I32 Li64 N144 O120 Sn8 -","8","0.5","","Sulway, Scott A.; Layfield, Richard A.; Bodensteiner, Michael; Scheuermayer, Sabine; Scheer, Manfred; Zabel, Manfred","Benzotriazolate cage complexes of tin(ii) and lithium: halide-influenced serendipitous assembly.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7559","7563","10.1039/c1dt10400d","","x-ray","1.54178","CuKα","","0.0359","0.0352","","","0.0942","0.0947","","","","","","1.02","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016204","41.25","0.002","44.237","0.003","14.6555","0.0009","90","","90","","90","","26743","3","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C24 H38 B F6 N9 O Zn -","- C24 H38 B F6 N9 O Zn -","- C768 H1216 B32 F192 N288 O32 Zn32 -","32","2","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0534","0.0415","","","0.0945","0.0992","","","","","","1.001","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016506","28.942","0.003","58.653","0.005","21.5267","0.0019","90","","90","","90","","36542","6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H23 N5 O6 Zn -","- C18 H14 N4 O4 Zn -","- C1152 H896 N256 O256 Zn64 -","64","4","","Liu, Xiao-Min; Xie, Lin-Hua; Lin, Jian-Bin; Lin, Rui-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Flexible porous coordination polymers constructed from 1,2-bis(4-pyridyl)hydrazine via solvothermal in situ reduction of 4,4'-azopyridine.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8549","8554","10.1039/c1dt10682a","","","0.71073","MoKα","","0.1036","0.0664","","","0.1687","0.1868","","","","","","1","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7017548","14.383","0.0006","39.8715","0.0016","12.9627","0.0006","90","","90","","90","","7433.7","0.6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28 H48 Ce Cl3 N6 O8 P2 -","- C28 H48 Ce Cl3 N6 O8 P2 -","- C224 H384 Ce8 Cl24 N48 O64 P16 -","8","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0234","0.021","","","0.042","0.0428","","","","","","0.948","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017551","14.444","0.003","40.9","0.008","12.96","0.002","90","","90","","90","","7656","2","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C28 H46 Ce Cl3 F2 N6 O8 P2 -","- C28 H46 Ce Cl3 F2 N6 O8 P2 -","- C224 H368 Ce8 Cl24 F16 N48 O64 P16 -","8","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0476","0.0421","","","0.0941","0.0978","","","","","","1.009","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017552","14.3982","0.0005","39.95","0.0013","12.991","0.0004","90","","90","","90","","7472.5","0.4","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28 H48 Cl3 N6 Nd O8 P2 -","- C28 H48 Cl3 N6 Nd O8 P2 -","- C224 H384 Cl24 N48 Nd8 O64 P16 -","8","0.5","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0244","0.0213","","","0.0439","0.0447","","","","","","1.002","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7018050","12.8821","0.0005","59.0714","0.0018","8.433","0.0004","90","","90","","90","","6417.2","0.4","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H24 I N O -","- C16 H24 I N O -","- C256 H384 I16 N16 O16 -","16","1","","Crosbie, Elaine; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1832","1839","10.1039/c2dt11893a","","","0.71069","MoKα","","0.0224","0.0212","","","0.0468","0.0473","","","","","","1.083","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018263","44.698","0.008","43.079","0.007","8.486","0.001","90","","90","","90","","16340","4","296","","296","","","","","","","","","6","F d d 2","F 2 -2d","43","Corrphycene","","","- C42 H54 Cl Fe N6 O4 -","- C42 H54 Cl Fe N6 O4 -","- C672 H864 Cl16 Fe16 N96 O64 -","16","1","","Ohgo, Yoshiki; Neya, Saburo; Hashizume, Daisuke; Ozeki, Tomoji; Nakamura, Mikio","Unusual electronic structure of bis-isocyanide complexes of iron(iii) porphyrinoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3126","3129","10.1039/c2dt12249a","","","0.68878","Synchrotron","","0.0822","0.0521","","","0.1208","0.1423","","","","","","0.948","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018635","55.86","0.011","18.93","0.006","38.762","0.009","90","","90","","90","","40988","18","220","2","220","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C63.3 H49.95 Eu3 F18 N13.65 O36 S6 -","- C63.3 H49.95 Eu3 F18 N13.65 O36 S6 -","- C1012.8 H799.2 Eu48 F288 N218.4 O576 S96 -","16","1","","Zebret, Soumaila; Dupont, Nathalie; Besnard, Céline; Bernardinelli, Gérald; Hamacek, Josef","Lanthanide-mediated triangular cationic assemblies: structural and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4817","4823","10.1039/c2dt12227h","","","0.71073","MoKα","","0.044","0.0398","","","0.1113","0.1157","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018636","55.75","0.02","18.937","0.015","38.852","0.011","90","","90","","90","","41018","4","220","2","220","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C66 H54 F18 N15 O36 S6 Tb3 -","- C57.84 H41.76 F18 N10.92 O36 S6 Tb3 -","- C925.44 H668.16 F288 N174.72 O576 S96 Tb48 -","16","1","","Zebret, Soumaila; Dupont, Nathalie; Besnard, Céline; Bernardinelli, Gérald; Hamacek, Josef","Lanthanide-mediated triangular cationic assemblies: structural and physico-chemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4817","4823","10.1039/c2dt12227h","","","0.71073","MoKα","","0.0939","0.0654","","","0.1711","0.2082","","","","","","1.148","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7018781","17.3714","0.0007","24.5657","0.0006","12.4327","0.0003","90","","90","","90","","5305.5","0.3","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C192 H176 N80 O64 -","16","1","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.0243","0.0236","","","0.0638","0.0646","","","","","","1.053","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018922","19.7156","0.0009","35.621","0.0016","9.8574","0.0005","90","","90","","90","","6922.7","0.6","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C17 H17 N2 P S Se -","- C17 H17 N2 P S Se -","- C272 H272 N32 P16 S16 Se16 -","16","1","","Sauerbrey, Susanne; Majhi, Paresh Kumar; Schnakenburg, Gregor; Arduengo Iii, Anthony J.; Streubel, Rainer","Synthesis, structure and reactivity of 4-phosphanylated 1,3-dialkyl-imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5368","5376","10.1039/c2dt12483a","","","0.71073","MoKα","","0.0368","0.0284","","","0.0499","0.0519","","","","","","0.935","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019771","30.813","0.006","32.507","0.007","13.74","0.003","90","","90","","90","","13763","5","143","2","143","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H100 Mo6 N6 O17 -","- C48 H100 Mo6 N6 O17 -","- C384 H800 Mo48 N48 O136 -","8","0.5","","Lv, Chunlin; Zhang, Jin; Hao, Jian; Liu, Lei; Wei, Yongge","Syntheses and structural characterizations of di-substituted alkylimido hexamolybdates: an insight on bi-alkylimido functionalization.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10065","10070","10.1039/c2dt30471f","","","0.71073","MoKα","","0.0825","0.0686","","","0.1419","0.1496","","","","","","1.242","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7020073","29.62","0.006","61.5","0.012","5.32","0.0011","90","","90","","90","","9691","3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H36 N14 O24 P4 Zn3 -","- C36 H36 N14 O24 P4 Zn3 -","- C288 H288 N112 O192 P32 Zn24 -","8","0.5","","Fu, Zhiyong; Song, Desheng; Zeng, Yu; Liao, Shijun; Dai, Jingcao","A layered zinc phosphate decorated with organic fluorophores for selective luminescent sensing of metal cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10910","10912","10.1039/c2dt31276j","","","0.71073","MoKα","","0.0529","0.0511","","","0.1387","0.1408","","","","","","1.06","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020331","33.4094","0.0014","37.0836","0.0016","6.5516","0.0003","90","","90","","90","","8117","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H24 Br4 Cu4 N4 -","- C10 H24 Br4 Cu4 N4 -","- C160 H384 Br64 Cu64 N64 -","16","1","","Safko, Jason P.; Kuperstock, Jacob E.; McCullough, Shannon M.; Noviello, Andrew M.; Li, Xiaobo; Killarney, James P.; Murphy, Caitlin; Patterson, Howard H.; Bayse, Craig A.; Pike, Robert D.","Network formation and photoluminescence in copper(I) halide complexes with substituted piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11663","11674","10.1039/c2dt31241g","","","1.54178","CuKα","","0.0249","0.0247","","","0.0572","0.0573","","","","","","1.089","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020808","22.645","","28.612","","13.161","","90","","90","","90","","8527.26","","185","2","185","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H17 Cl2 Cu2 N3 O11 -","- C14 H17 Cl2 Cu2 N3 O11 -","- C224 H272 Cl32 Cu32 N48 O176 -","16","1","","Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping","Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating","Dalton Transactions","2013","42","10","3308","","10.1039/c2dt32021e","","","0.71073","MoKα","","0.0793","0.0574","","","0.1406","0.1531","","","","","","1.129","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020933","23.934","0.007","29.782","0.005","10.9902","0.0018","90","","90","","90","","7834","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H19 Cu N2 O6.5 -","- C20 H18 Cu N2 O6.5 -","- C320 H288 Cu16 N32 O104 -","16","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.7107","MoKα","","0.1433","0.0754","","","0.1457","0.1785","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021377","58.4476","0.0005","18.5147","0.0002","18.2492","0.0002","90","","90","","90","","19748.2","0.3","183","2","183","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C80 H124 F8 Hg4 N16 O22 -","- C56 H60 F8 Hg4 N16 O22 -","- C448 H480 F64 Hg32 N128 O176 -","8","0.5","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","","0.7107","MoKα","","0.0764","0.0537","","","0.1126","0.1195","","","","","","1.204","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021667","23.961","0.005","32.093","0.006","8.9451","0.0018","90","","90","","90","","6879","2","180","2","180","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C14 H14 Cl4 N3 V -","- C14 H14 Cl4 N3 V -","- C224 H224 Cl64 N48 V16 -","16","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0549","0.0347","","","0.0789","0.0833","","","","","","0.884","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7022948","17.867","0.003","23.885","0.004","8.1825","0.0012","90","","90","","90","","3491.9","1","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H31 Al N2 O0 -","- C15 H31 Al N2 -","- C120 H248 Al8 N16 -","8","0.5","","Li, Di; Peng, Ying; Geng, Chao; Liu, Kaipeng; Kong, Dexu","Well-controlled ring-opening polymerization of cyclic esters initiated by dialkylaluminum β-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11295","11303","10.1039/c3dt50372k","","","0.71073","MoKα","","0.039","0.0365","","","0.0982","0.1009","","","","","","1.076","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7024137","23.6766","0.0002","74.2498","0.0006","15.1492","0.0002","90","","90","","90","","26632","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","(K(2,2,2-crypt))4(Zn(P7)2)*6py","[K(2,2,2-crypt)]4[Zn(P7)2]*6py","","- C102 H174 K4 N14 O24 P14 Zn -","- C102 H174 K4 N14 O24 P14 Zn -","- C816 H1392 K32 N112 O192 P112 Zn8 -","8","0.5","","Knapp, Caroline; Zhou, Binbin; Denning, Mark S.; Rees, Nicholas H.; Goicoechea, Jose M.","Reactivity studies of group 15 Zintl ions towards homoleptic post-transition metal organometallics: a 'bottom-up' approach to bimetallic molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","426","436","10.1039/b911544g","","","0.71073","MoKα","","0.0687","0.0477","","","0.106","0.1173","","","","","","1.013","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024138","23.5977","0.0002","75.1887","0.0008","15.1082","0.0001","90","","90","","90","","26806.2","0.4","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","(K(2,2,2-crypt))4(Cd(P7)2)*6py","[K(2,2,2-crypt)]4[Cd(P7)2]*6py","","- C102 H174 Cd K4 N14 O24 P14 -","- C102 H174 Cd K4 N14 O24 P14 -","- C816 H1392 Cd8 K32 N112 O192 P112 -","8","0.5","","Knapp, Caroline; Zhou, Binbin; Denning, Mark S.; Rees, Nicholas H.; Goicoechea, Jose M.","Reactivity studies of group 15 Zintl ions towards homoleptic post-transition metal organometallics: a 'bottom-up' approach to bimetallic molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","426","436","10.1039/b911544g","","","0.71073","MoKα","","0.0769","0.0541","","","0.1086","0.1161","","","","","","1.027","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024475","17.906","0.004","18.919","0.004","28.408","0.006","90","","90","","90","","9624","4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H30 N2 O28 Y4 -","- C42 H26 N2 O28 Y4 -","- C336 H208 N16 O224 Y32 -","8","0.5","","Dong, Bao-Xia; Gu, Xiao-Jun; Xu, Qiang","Solvent effect on the construction of two microporous yttrium-organic frameworks with high thermostability via in situ ligand hydrolysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5683","5687","10.1039/b917515f","","","0.71073","MoKα","","0.0601","0.0511","","","0.1515","0.1571","","","","","","1.116","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024628","35.8455","0.0018","10.1477","0.0005","14.0206","0.0008","90","","90","","90","","5100","0.5","89.1","","89.1","","","","","","","","","5","F d d 2","F 2 -2d","43","zn-hqxc-dmso","","","- C28 H20 N6 O6 Zn -","- C28 H20 N6 O6 Zn -","- C224 H160 N48 O48 Zn8 -","8","0.5","","Sakai, Ken-Ichi; Takahashi, Sami; Kobayashi, Ataru; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Dosen, Masaaki; Kato, Masako; Nagashima, Umpei","Excited state intramolecular proton transfer (ESIPT) in six-coordinated zinc(ii)-quinoxaline complexes with ligand hydrogen bonds: their fluorescent properties sensitive to axial positions.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","1989","1995","10.1039/b919613g","","","0.71075","MoKα","","","0.0192","","","","0.0256","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025020","17.546","0.0011","37.803","0.0011","9.994","0.002","90","0.005","90","0.004","90","0.005","6628.9","1.4","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H40 Cl2 Cu2 N4 O15 -","- C22 H40 Cl2 Cu2 N4 O15 -","- C176 H320 Cl16 Cu16 N32 O120 -","8","0.5","","Maxim, Catalin; Sorace, Lorenzo; Khuntia, Panchanana; Madalan, Augustin M.; Kravtsov, Victor; Lascialfari, Alessandro; Caneschi, Andrea; Journaux, Yves; Andruh, Marius","A missing high-spin molecule in the family of cyanido-bridged heptanuclear heterometal complexes, [(LCuII)6FeIII(CN)6]3+, and its CoIII and CrIII analogues, accompanied in the crystal by a novel octameric water cluster","Dalton Transactions","2010","39","20","4838","","10.1039/b924505g","","","0.71073","MoKα","","0.0643","0.044","","","0.1002","0.1055","","","","","","1.002","","","","has coordinates,has disorder","179955","2020-10-21","18:00:00",""
"7025526","30.109","0.003","41.095","0.004","12.58","0.003","90","","90","","90","","15566","4","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C41 H48 N O3 P2 Rh S -","- C41 H48 N O3 P2 Rh S -","- C656 H768 N16 O48 P32 Rh16 S16 -","16","1","","Block, Michael; Wagner, Christoph; Gómez-Ruiz, Santiago; Steinborn, Dirk","Synthesis, characterization and structures of cyclic organorhodium complexes of the type [Rh{CH(SO₂Ph)CH₂CH₂YR₂-κC,κY}L₂] (YR₂ = PPh₂, NMe₂; L₂ = diphosphine, cyclooctadiene).","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4636","4646","10.1039/c001452d","","","0.71073","MoKα","","0.0428","0.039","","","0.0837","0.0854","","","","","","1.126","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7026128","14.694","0.003","28.998","0.005","9.4788","0.0017","90","","90","","90","","4038.9","1.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H24 Cl Cu N2 -","- C21 H24 Cl Cu N2 -","- C168 H192 Cl8 Cu8 N16 -","8","0.5","","Díez-González, Silvia; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Stevens, Edwin D.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[(NHC)CuX] complexes: synthesis, characterization and catalytic activities in reduction reactions and Click chemistry. On the advantage of using well-defined catalytic systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7595","7606","10.1039/c0dt00218f","","","0.71073","MoKα","","0.0404","0.0321","","","0.0927","0.0987","","","","","","1.057","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026632","25.146","0.005","25.516","0.005","7.849","0.005","90","0.005","90","0.005","90","0.005","5036","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","9PAAgClO4 NH4OH","","","- C32 H44 Ag4 Cl4 N20 O18 -","- C32 H44 Ag4 Cl4 N20 O18 -","- C128 H176 Ag16 Cl16 N80 O72 -","4","0.25","","Mishra, Ashutosh Kumar; Prajapati, Rajneesh Kumar; Verma, Sandeep","Probing structural consequences of N9-alkylation in silver-adenine frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10034","10037","10.1039/c0dt00557f","","","0.71073","MoKα","","0.0702","0.0494","","","0.1264","0.1964","","","","","","1.129","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7027228","10.5077","0.0006","17.108","0.001","15.7022","0.0006","90","","90","","90","","2822.7","0.3","296","","296","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C6 H20 Cl Co N4 O4 S2 -","- C6 H20 Cl Co N4 O4 S2 -","- C48 H160 Cl8 Co8 N32 O32 S16 -","8","0.5","","Yonemura, Toshiaki; Bai, Zhi-Ping; Okamoto, Ken-ichi; Ama, Tomoharu; Kawaguchi, Hiroshi; Yasui, Takaji; Hidaka, Jinsai","Synthesis, characterisation and polynuclearisation reaction of trans(S)-[Co(aminothiolate-N,S )2(en)]-type cobalt(III) complexes with 2-aminoethanethiolate, L-cysteinate and D-penicillaminate","Journal of the Chemical Society, Dalton Transactions","1999","","13","2151","","10.1039/a809753d","","","0.7107","MoKα","","0.0395","0.0395","","","0.0644","0.0644","","","","","","1.962","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027458","22.1089","0.0009","30.5304","0.0012","8.7632","0.0004","90","","90","","90","","5915.1","0.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H42 Cl2 Cu N6 O8 -","- C22 H42 Cl2 Cu N6 O8 -","- C176 H336 Cl16 Cu8 N48 O64 -","8","0.5","","Aneetha, Halikhedkar; Lai, Ying-Huang; Lin, Shih-Chi; Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chung, Chung-Sun","Copper(II) complexes of tetraaza macrocycles bearing pendant arms: syntheses, structures and properties","Journal of the Chemical Society, Dalton Transactions","1999","","16","2885","","10.1039/a902955i","","","0.71073","MoKα","","0.0564","0.0487","","","0.1204","0.1278","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7028083","38.5473","0.0007","41.315","0.0002","15.6324","0.0003","90","","90","","90","","24895.9","0.7","300","2","300","2","","","","","","","see text","5","F d d 2","F 2 -2d","43","","","","- C41.25 H27.5 F36 O16 Y2 -","- C41.25 H27.5 F36 O16 Y2 -","- C660 H440 F576 O256 Y32 -","16","1","","Pollard, Kimberly D.; Vittal, Jagadese J.; Yap, Glenn P. A.; Puddephatt, Richard J.","Yttrium β-diketonate complexes with triglyme: ionic and neutral isomers and outer-sphere co-ordination of triglyme †","Journal of the Chemical Society, Dalton Transactions","1998","","8","1265","","10.1039/a801344f","","","0.71073","MoKα","","0.1244","0.087","","0.2688","0.2385","","","","1.073","1.17","1.17","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028171","17.283","0.003","15.544","0.005","15.769","0.006","90","","90","","90","","4236","2","198","2","198","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H30 O6 S2 Sr -","- C14 H30 O6 S2 Sr -","- C112 H240 O48 S16 Sr8 -","8","0.5","","Bezougli, Izoldi K.; Bashall, Alan; McPartlin, Mary; Mingos, D. Michael P.","Carbonyl sulfide insertion into Group 2 metal‒isopropoxide bonds; synthesis and crystal structures of [Mg(OCSOPri)2(PriOH)4]· 2PriOH and [{Sr(OCSOPri)2(PriOH)2}n]","Journal of the Chemical Society, Dalton Transactions","1998","","16","2665","","10.1039/a802595i","","","0.71073","MoKα","","0.0411","0.0338","","0.0765","0.0735","","","","1.039","1.053","1.053","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028246","34.221","0.006","7.4263","0.0013","12.199","0.002","90","","90","","90","","3100.2","0.9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Favero, Lucilla; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with O- and S-heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","495","504","10.1039/c3dt52271g","","","0.71073","MoKα","","0.0302","0.0287","","","0.0794","0.0806","","","","","","1.135","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028422","15.251","0.004","15.894","0.004","5.8246","0.0018","90","","90","","90","","1411.9","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H12 F2 N2 -","- C5 H12 F2 N2 -","- C40 H96 F16 N16 -","8","0.5","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.0384","0.0289","","","0.0541","0.0572","","","","","","1.165","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028768","11.6882","0.0003","30.6434","0.0008","18.0484","0.0005","90","","90","","90","","6464.3","0.3","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H36 Cu N6 Na O2 -","- C36 H36 Cu N6 Na O2 -","- C288 H288 Cu8 N48 Na8 O16 -","8","0.5","","Hu, Xiao-Hui; Liang, Yan; Li, Chen; Yi, Xiao-Yi","Multi-nuclear silver(i) and copper(i) complexes: a novel bonding mode for bispyridylpyrrolides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2458","2464","10.1039/c3dt52794h","","","0.71073","MoKα","","0.018","0.0178","","","0.053","0.0532","","","","","","1.049","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028796","31.441","0.005","17.427","0.003","23.221","0.004","90","","90","","90","","12723","4","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C60 H68 F6 N4 O12 Rh2 S2 -","- C60 H64 F6 N4 O10 Rh2 S2 -","- C480 H512 F48 N32 O80 Rh16 S16 -","8","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Design and self-assembly of variform organometallic macrocycle with terminal imidazole-based bridging ligands utilizing joints twist and rotation.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2356","2360","10.1039/c3dt52724g","","","0.71073","MoKα","","0.1212","0.0696","","","0.1527","0.174","","","","","","0.963","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7029168","18.762","0.009","33.289","0.014","10.152","0.005","90","","90","","90","","6341","5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","trifluorooxidobis(triphenylphosphineoxide)niobium(V)","","- C36 H30 F3 Nb O3 P2 -","- C36 H30 F3 Nb O3 P2 -","- C288 H240 F24 Nb8 O24 P16 -","8","0.5","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0888","0.0719","","","0.1062","0.1148","","","","","","1.079","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029173","12.4975","0.0004","21.6322","0.0009","29.09","0.002","90","","90","","90","","7864.4","0.7","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2,2'-bipyridyl-trifluorooxidoniobium(V)","","- C10 H8 Cl3 N2 Nb O -","- C10 H8 Cl3 N2 Nb O -","- C240 H192 Cl72 N48 Nb24 O24 -","24","1.5","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0506","0.0469","","","0.1169","0.1204","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029655","10.547","0.005","19.628","0.005","38.251","0.005","90","0.005","90","0.005","90","0.005","7919","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C38 H44 Cd Cu2 N6 O4 S2 -","- C38 H44 Cd Cu2 N6 O4 S2 -","- C304 H352 Cd8 Cu16 N48 O32 S16 -","8","0.5","","Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","The influence of H-bonding on the 'ambidentate' coordination behaviour of the thiocyanate ion to Cd(ii): a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8007","8015","10.1039/c3dt53318b","","","0.71073","MoKα","","0.0447","0.0346","","","0.0784","0.0872","","","","","","1.046","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7030030","16.23","0.0002","23.4755","0.0004","8.9782","0.0001","90","","90","","90","","3420.76","0.08","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H26 N8 -","- C18 H26 N8 -","- C144 H208 N64 -","8","0.5","","Pal, Amlan K.; Hanan, Garry S.","Stereoselective formation of a meso-diruthenium(ii,ii) complex and tuning the properties of its monoruthenium analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6567","6577","10.1039/c4dt00112e","","","1.54178","CuKα","","0.0335","0.033","","","0.0846","0.085","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030759","9.6049","0.0002","35.0685","0.0009","16.3289","0.0003","90","","90","","90","","5500.1","0.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H30 B4 Br4 Co2 -","- C20 H30 B4 Br4 Co2 -","- C160 H240 B32 Br32 Co16 -","8","0.5","","Sharmila, Dudekula; Ramalakshmi, Rongala; Chakrahari, Kiran Kumarvarma; Varghese, Babu; Ghosh, Sundargopal","Synthesis, characterization and crystal structure analysis of cobaltaborane and cobaltaheteroborane clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9976","9985","10.1039/c4dt00964a","","","1.54184","CuKα","","0.0499","0.0481","","","0.1381","0.1415","","","","","","1.076","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7031149","34.832","0.008","55.975","0.013","8.1474","0.0019","90","","90","","90","","15885","6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H49 B Ir N2 P -","- C49 H49 B Ir N2 P -","- C784 H784 B16 Ir16 N32 P16 -","16","1","","Burling, Suzanne; Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Rhodium(i) and iridium(i) complexes with bidentate N,N and P,N ligands as catalysts for the hydrothiolation of alkynesBased on the presentation given at Dalton Discussion No. 6, 9?11th September 2003, University of York, UK.Electronic supplementary information (ESI) available: Listing of 1H NMR data for the alkenyl protons of alkenyl sulfides. See http://www.rsc.org/suppdata/dt/b3/b303774f/","Dalton Transactions","2003","","21","4181","","10.1039/b303774f","","","0.71073","MoKα","","0.019","0.0179","","","0.0362","0.0363","","","","","","1.59","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031150","34.868","0.008","56.131","0.012","8.1496","0.0018","90","","90","","90","","15950","6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H49 B N2 P Rh -","- C49 H49 B N2 P Rh -","- C784 H784 B16 N32 P16 Rh16 -","16","1","","Burling, Suzanne; Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter","Rhodium(i) and iridium(i) complexes with bidentate N,N and P,N ligands as catalysts for the hydrothiolation of alkynesBased on the presentation given at Dalton Discussion No. 6, 9?11th September 2003, University of York, UK.Electronic supplementary information (ESI) available: Listing of 1H NMR data for the alkenyl protons of alkenyl sulfides. See http://www.rsc.org/suppdata/dt/b3/b303774f/","Dalton Transactions","2003","","21","4181","","10.1039/b303774f","","","0.71073","MoKα","","0.0264","0.024","","","0.0547","0.0555","","","","","","1.097","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031225","19.765","0.003","38.589","0.006","9.739","0.0015","90","","90","","90","","7428","2","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H38 Cu2 N4 O8 -","- C40 H38 Cu2 N4 O8 -","- C320 H304 Cu16 N32 O64 -","8","0.5","","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","","","0.71069","MoKα","","","0.0215","","","","0.0556","","","","","","1.031","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031447","42.9414","0.0005","21.5369","0.0003","8.42331","0.00009","90","","90","","90","","7790.08","0.16","150","","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H56 Cl Ir N4 -","- C44 H56 Cl Ir N4 -","- C352 H448 Cl8 Ir8 N32 -","8","0.5","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","1.5418","CuKα","","0.0211","0.0211","","0.0571","0.0571","0.0571","","","","","","1.0634","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031545","32.0762","0.0014","35.738","0.002","19.252","0.002","90","","90","","90","","22069","3","100","","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","cis-P,N-[Fe(PN^H^-Ph)~3~]Br~2~ (5b)","","- C51 H45 Br2 Fe N6 P3 -","- C51 H45 Br2 Fe N6 P3 -","- C816 H720 Br32 Fe16 N96 P48 -","16","1","","Holzhacker, Christian; Calhorda, Maria José; Gil, Adrià; Carvalho, Maria Deus; Ferreira, Liliana P.; Stöger, Berthold; Mereiter, Kurt; Weil, Matthias; Müller, Danny; Weinberger, Peter; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Six-coordinate high-spin iron(ii) complexes with bidentate PN ligands based on 2-aminopyridine - new Fe(ii) spin crossover systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11152","11164","10.1039/c4dt00186a","","x-ray","0.71073","MoKα","","0.0512","0.0373","","","0.078","0.0819","","","","1.15","1.15","1.06","","","","has coordinates","288070","2023-12-06","12:57:00",""
"7031629","13.4495","0.0007","19.5188","0.0013","21.4053","0.0013","90","","90","","90","","5619.3","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H23 Bi N2 O8 -","- C32 H23 Bi N2 O8 -","- C256 H184 Bi8 N16 O64 -","8","0.5","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","MoKα","","0.0223","0.0184","","","0.0389","0.0418","","","","","","0.849","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7032007","30.029","0.004","33.845","0.005","9.7572","0.0014","90","","90","","90","","9917","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22.5 H23 Cl4 Fe N6 -","- C22.5 H23 Cl4 Fe N6 -","- C360 H368 Cl64 Fe16 N96 -","16","1","","Xu, Beibei; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Liu, Jian; Wu, Li; Feng, Yonggang; Liu, Xiaoming","Iron(iii) complexes of multidentate pyridinyl ligands: synthesis, characterization and catalysis of the direct hydroxylation of benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15337","15345","10.1039/c4dt02032d","","","0.71073","MoKα","","0.0285","0.0275","","","0.0713","0.0776","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032624","18.8251","0.0009","42.656","0.002","10.6435","0.0005","90","","90","","90","","8546.8","0.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H30 Cu2 Mo5 N4 O23 P2 -","- C32 H30 Cu2 Mo5 N4 O23 P2 -","- C256 H240 Cu16 Mo40 N32 O184 P16 -","8","0.5","","Wang, Jian-Ping; Ma, Hong-Xin; Zhang, Lan-Cui; You, Wan-Sheng; Zhu, Zai-Ming","Two Strandberg-type organophosphomolybdates: synthesis, crystal structures and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17172","17176","10.1039/c4dt02571g","","","0.71073","MoKα","","0.0202","0.0189","","","0.0437","0.0442","","","","","","1.037","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032651","18.28","0.009","42.77","0.03","9.005","0.005","90","","90","","90","","7040","7","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C35 H32 B2 F8 N4 O2 Ru S2 -","- C35 H32 B2 F8 N4 O2 Ru S2 -","- C280 H256 B16 F64 N32 O16 Ru8 S16 -","8","0.5","","King, Albert W.; Malizia, Jason P.; Engle, James T.; Ziegler, Christopher J.; Rack, Jeffrey J.","Ultrafast spectroscopy and structural characterization of a photochromic isomerizing ruthenium bis-sulfoxide complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17847","17855","10.1039/c4dt01402b","","","0.71073","MoKα","","0.0235","0.0231","","","0.059","0.0592","","","","","","1.04","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032941","18.7255","0.0012","27.2787","0.0017","11.955","0.0007","90","","90","","90","","6106.7","0.7","143","2","143","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H40 Cl3 N Nb O2 -","- C28 H40 Cl3 N Nb O2 -","- C224 H320 Cl24 N8 Nb8 O16 -","8","0.5","","Hananouchi, Steven; Krull, Brandon T.; Ziller, Joseph W.; Furche, Filipp; Heyduk, Alan F.","Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17991","18000","10.1039/c4dt02259a","","","0.71073","MoKα","","0.022","0.0198","","","0.0464","0.0473","","","","","","1.078","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033523","32.355","0.003","34.276","0.003","25.584","0.002","90","","90","","90","","28373","4","93","","93","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C47.5 H108 N12 Na2 P4 Te5 -","- C47.5 H108 N12 Na2 P4 Te5 -","- C760 H1728 N192 Na32 P64 Te80 -","16","1","","Nordheider, Andreas; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","Sodium and rhodium complexes of a spirocyclic Te5 dianion supported by P2N2 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8781","8783","10.1039/c4dt03257h","","","0.71075","MoKα","","","0.0508","","","","0.0986","","","","","","0.842","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033970","26.9001","0.0007","37.9178","0.0009","4.803","0.0002","90","","90","","90","","4899","0.3","100","1","100","1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H18 Br4 Hg N4 -","- C24 H18 Br4 Hg N4 -","- C192 H144 Br32 Hg8 N32 -","8","0.5","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0402","0.0369","","","0.0891","0.0911","","","","","","1.125","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033972","37.6061","0.0003","38.3258","0.0008","4.2956","0.0002","90","","90","","90","","6191.2","0.3","100","1","100","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H9 F Hg I2 N2 -","- C12 H9 F Hg I2 N2 -","- C192 H144 F16 Hg16 I32 N32 -","16","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0283","0.0251","","","0.0584","0.0598","","","","","","1.024","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034396","45.366","0.009","7.2288","0.0014","11.607","0.002","90","","90","","90","","3806.4","1.2","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge S6 Sn -","- Ga2 Ge S6 Sn -","- Ga32 Ge16 S96 Sn16 -","16","1","","Lin, Zuohong; Li, Chao; Kang, Lei; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","SnGa2GeS6: synthesis, structure, linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7404","7410","10.1039/c5dt00186b","","","0.71073","MoKα","","0.048","0.0416","","","0.1014","0.1044","","","","","","1.133","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034975","12.2658","0.0016","20.425","0.003","9.6121","0.0016","90","","90","","90","","2408.1","0.6","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H6 F2 N2 O4 Zn -","- C12 H6 F2 N2 O4 Zn -","- C96 H48 F16 N16 O32 Zn8 -","8","0.5","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","0.71073","MoKα","","0.0278","0.0265","","","0.0618","0.0623","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035106","22.3458","0.0007","29.7691","0.0011","33.3734","0.0011","90","","90","","90","","22200.5","1.3","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C50 H53 N8 O10.5 Zn2 -","- C50 H53 N8 O10.5 Zn2 -","- C800 H848 N128 O168 Zn32 -","16","1","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","1.54184","CuKα","","0.0824","0.0763","","","0.2192","0.2287","","","","","","1.039","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035133","56.949","0.005","10.872","0.005","11.211","0.005","90","0.005","90","0.005","90","0.005","6941","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis-(6-methyl pyridonate) Titanium di(ethoxide)","","","- C16 H21 N2 O4 Ti -","- C16 H21 N2 O4 Ti -","- C256 H336 N32 O64 Ti16 -","16","1","","Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.","Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12411","12419","10.1039/c5dt01162k","","","0.71073","MoKα","","0.0415","0.0368","","","0.0908","0.094","","","","","","1.037","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7035429","34.442","0.005","7.3616","0.001","12.1624","0.0016","90","","90","","90","","3083.8","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.08 Mo O2.92 -","- C10 H20 Cl3.078 Mo O2.922 -","- C80 H160 Cl24.624 Mo8 O23.376 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0168","0.0168","","","0.0425","0.0425","","","","","","1.209","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035430","34.417","0.006","7.3606","0.0013","12.169","0.002","90","","90","","90","","3082.8","0.9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.1 Mo O2.9 -","- C10 H20 Cl3.098 Mo O2.902 -","- C80 H160 Cl24.784 Mo8 O23.216 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0242","0.022","","","0.053","0.054","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035431","34.424","0.005","7.3591","0.001","12.1582","0.0016","90","","90","","90","","3080","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.08 Mo O2.92 -","- C10 H20 Cl3.076 Mo O2.924 -","- C80 H160 Cl24.608 Mo8 O23.392 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0168","0.0159","","","0.0345","0.0348","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035432","34.434","0.003","7.3641","0.0007","12.1545","0.0011","90","","90","","90","","3082.1","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.08 Mo O2.92 -","- C10 H20 Cl3.086 Mo O2.914 -","- C80 H160 Cl24.688 Mo8 O23.312 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0176","0.0171","","","0.0396","0.0398","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035433","34.402","0.007","7.3748","0.0015","12.165","0.003","90","","90","","90","","3086.4","1.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.05 Mo O2.95 -","- C10 H20 Cl3.054 Mo O2.946 -","- C80 H160 Cl24.432 Mo8 O23.568 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.021","0.0207","","","0.052","0.0522","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035434","34.242","0.005","7.415","0.0011","12.1939","0.0018","90","","90","","90","","3096.1","0.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.054","0.0433","","","0.1039","0.1096","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035435","34.184","0.006","7.4247","0.0012","12.202","0.002","90","","90","","90","","3096.9","0.9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0273","0.027","","","0.0729","0.0731","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035436","34.185","0.015","7.413","0.003","12.197","0.005","90","","90","","90","","3091","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0358","0.0353","","","0.0947","0.0951","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035437","34.19","0.06","7.486","0.012","12.28","0.02","90","","90","","90","","3143","9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0421","0.0372","","","0.0821","0.0851","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035603","32.0684","0.001","34.4149","0.0011","17.4423","0.0006","90","","90","","90","","19249.9","1.1","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C41 H59 Mg N3 O2 -","- C41 H59 Mg N3 O2 -","- C656 H944 Mg16 N48 O32 -","16","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.0418","0.0413","","","0.1171","0.118","","","","","","1.066","","","","has coordinates","181710","2020-10-21","18:00:00",""
"7035611","24.0017","0.0017","40.189","0.003","17.001","0.0013","90","","90","","90","","16399","2","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C98 H76 Cu2 N2 O P6 -","- C98 H76 Cu2 N2 O P6 -","- C784 H608 Cu16 N16 O8 P48 -","8","0.5","","Chakkaradhari, Gomathy; Belyaev, Andrey A.; Karttunen, Antti J.; Sivchik, Vasily; Tunik, Sergey P.; Koshevoy, Igor O.","Alkynyl triphosphine copper complexes: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13294","13304","10.1039/c5dt01870f","","","0.71073","MoKα","","0.0691","0.0428","","","0.095","0.1073","","","","","","1.054","","","","has coordinates","153206","2020-10-21","18:00:00",""
"7035668","16.9586","0.0011","27.5327","0.0019","8.5225","0.0005","90","","90","","90","","3979.3","0.4","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H22 Cl2 Mo N2 O4 -","- C18 H22 Cl2 Mo N2 O4 -","- C144 H176 Cl16 Mo8 N16 O32 -","8","0.5","","Oliveira, Tânia S M; Gomes, Ana C.; Lopes, André D; Lourenço, João P; Almeida Paz, Filipe A.; Pillinger, Martyn; Gonçalves, Isabel S","Dichlorodioxomolybdenum(vi) complexes bearing oxygen-donor ligands as olefin epoxidation catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14139","14148","10.1039/c5dt02165k","","","0.71073","MoKα","","0.0378","0.0331","","","0.0705","0.0736","","","","","","1.07","","","","has coordinates","153163","2020-10-21","18:00:00",""
"7035780","48.623","0.003","10.4011","0.0006","11.0193","0.0006","90","","90","","90","","5572.8","0.6","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Au2 Cl4 N4 -","- C8 H6 Au2 Cl4 N4 -","- C128 H96 Au32 Cl64 N64 -","16","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0225","0.0192","","","0.033","0.0336","","","","","","0.974","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035885","19.9505","0.0004","26.1623","0.0007","14.5631","0.0004","90","","90","","90","","7601.2","0.3","123","","123","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C27 H44 F12 Fe N10 P4 -","- C27 H44 F12 Fe N10 P4 -","- C216 H352 F96 Fe8 N80 P32 -","8","0.5","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0328","0.0281","","","0.0655","0.0675","","","","","","1.041","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7036281","19.024","0.011","41.19","0.02","9.557","0.006","90","","90","","90","","7489","7","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C42 H52 N2 Ni -","- C42 H52 N2 Ni -","- C336 H416 N16 Ni8 -","8","0.5","","Zhao, Yanxia; Wang, Zeyi; Jing, Xiaojing; Dong, Qingsong; Gong, Shida; Li, Qian-Shu; Zhang, Juan; Wu, Biao; Yang, Xiao-Juan","α-Diimine nickel complexes of ethylene and related alkenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16228","16232","10.1039/c5dt02333e","","","0.71073","MoKα","","0.0429","0.0345","","","0.0844","0.0905","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036307","29.217","0.004","44.75","0.007","11.2618","0.0017","90","","90","","90","","14724","4","93","","93","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C78 H88 Cl6 Rh4 S6 -","- C78 H88 Cl6 Rh4 S6 -","- C624 H704 Cl48 Rh32 S48 -","8","0.5","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.0307","0.0299","","","0.0859","0.0866","","","","","","1.032","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036471","29.498","0.004","22.319","0.003","7.7732","0.0009","90","","90","","90","","5117.6","1.1","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[1, 5-bis(1-methylimidazolium)pentane]- [PbBr3]2","","- C6.5 H11 Br3 N2 Pb -","- C6.5 H11 Br3 N2 Pb -","- C104 H176 Br48 N32 Pb16 -","16","1","","Tong, Yuan-Bo; Ren, Li-Te; Duan, Hai-Bao; Liu, Jian-Lan; Ren, Xiao-Ming","An amphidynamic inorganic-organic hybrid crystal of bromoplumbate with 1,5-bis(1-methylimidazolium)pentane exhibiting multi-functionality of a dielectric anomaly and temperature-dependent dual band emissions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17850","17858","10.1039/c5dt02739j","","","0.71073","MoKα","","0.0568","0.0346","","","0.0728","0.0778","","","","","","1.007","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036472","29.787","0.005","22.327","0.004","7.8007","0.0012","90","","90","","90","","5187.9","1.5","373","2","373","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[1, 5-bis(1-methylimidazolium)pentane]- [PbBr3]2","","- C6.5 H11 Br3 N2 Pb -","- C6.5 H11 Br3 N2 Pb -","- C104 H176 Br48 N32 Pb16 -","16","1","","Tong, Yuan-Bo; Ren, Li-Te; Duan, Hai-Bao; Liu, Jian-Lan; Ren, Xiao-Ming","An amphidynamic inorganic-organic hybrid crystal of bromoplumbate with 1,5-bis(1-methylimidazolium)pentane exhibiting multi-functionality of a dielectric anomaly and temperature-dependent dual band emissions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17850","17858","10.1039/c5dt02739j","","","0.71073","MoKα","","0.1018","0.0572","","","0.1355","0.1579","","","","","","1.026","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036473","29.942","0.005","22.309","0.004","7.8155","0.0011","90","","90","","90","","5220.6","1.5","413","2","413","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[1, 5-bis(1-methylimidazolium)pentane]- [PbBr3]2","","- C6.5 H11 Br3 N2 Pb -","- C6.5 H11 Br3 N2 Pb -","- C104 H176 Br48 N32 Pb16 -","16","1","","Tong, Yuan-Bo; Ren, Li-Te; Duan, Hai-Bao; Liu, Jian-Lan; Ren, Xiao-Ming","An amphidynamic inorganic-organic hybrid crystal of bromoplumbate with 1,5-bis(1-methylimidazolium)pentane exhibiting multi-functionality of a dielectric anomaly and temperature-dependent dual band emissions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17850","17858","10.1039/c5dt02739j","","","0.71073","MoKα","","0.1028","0.0599","","","0.1436","0.1681","","","","","","1.022","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036960","22.381","0.014","22.711","0.014","13.588","0.009","90","","90","","90","","6907","8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ba Cd Se4 Sn -","- Ba Cd Se4 Sn -","- Ba32 Cd32 Se128 Sn32 -","32","2","","Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie","An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19856","19864","10.1039/c5dt03215f","","","0.71073","MoKα","","0.0681","0.0346","","","0.0594","0.066","","","","","","0.922","","","","has coordinates","171118","2020-10-21","18:00:00",""
"7037006","7.0809","0.0001","38.7664","0.0004","39.2286","0.0004","90","","90","","90","","10768.3","0.2","123","2","123.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H16 Al2 Cl6 N4 -","- C20 H16 Al2 Cl6 N4 -","- C320 H256 Al32 Cl96 N64 -","16","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0677","0.0675","","","0.1815","0.1817","","","","","","1.098","","","","has coordinates,has disorder","171240","2020-10-21","18:00:00",""
"7037738","15.259","0.0007","52.666","0.002","10.2673","0.0005","90","","90","","90","","8251.1","0.6","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H58 Al2 N2 P2 Si2 -","- C38 H58 Al2 N2 P2 Si2 -","- C304 H464 Al16 N16 P16 Si16 -","8","0.5","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0531","0.039","","","0.0758","0.0802","","","","","","1.037","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037739","15.355","0.003","52.413","0.009","10.2974","0.0016","90","","90","","90","","8287","3","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H58 Ga2 N2 P2 Si2 -","- C38 H58 Ga2 N2 P2 Si2 -","- C304 H464 Ga16 N16 P16 Si16 -","8","0.5","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","x-ray","0.71073","MoKα","","0.0511","0.0367","","","0.0617","0.065","","","","","","1.073","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7038372","29.4997","0.0016","51.979","0.003","8.4886","0.0005","90","","90","","90","","13016.1","1.3","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","D-3 in manuscript","","","- C34.5 H32 Cl3 N O P2 Ru -","- C34.5 H32 Cl3 N O P2 Ru -","- C552 H512 Cl48 N16 O16 P32 Ru16 -","16","1","","Nakagawa, N.; Derrah, E. J.; Schelwies, M.; Rominger, F.; Trapp, O.; Schaub, T.","Triphos derivatives and diphosphines as ligands in the ruthenium-catalysed alcohol amination with NH3.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6856","6865","10.1039/c5dt04870b","","","0.71073","MoKα","","0.0728","0.0496","","","0.081","0.09","","","","","","1.022","","","","has coordinates","182716","2020-10-21","18:00:00",""
"7038381","31.369","0.004","79.041","0.012","12.8063","0.0018","90","","90","","90","","31752","8","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C52 H78 Br2 Cu2 N4 P2 -","- C52 H78 Br2 Cu2 N4 P2 -","- C1248 H1872 Br48 Cu48 N96 P48 -","24","1.5","","Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.","Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5122","5139","10.1039/c6dt00275g","","","0.71073","MoKα","","0.0747","0.0666","","","0.1357","0.1387","","","","","","1.134","","","","has coordinates,has disorder","181653","2020-10-21","18:00:00",""
"7038464","54.9146","0.0005","35.8227","0.0003","13.3827","0.0001","90","","90","","90","","26326.3","0.4","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C68 H100 Hf I4 N4 O4 -","- C56 H72 Hf I4 N4 O4 -","- C896 H1152 Hf16 I64 N64 O64 -","16","1","","McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.","Aminopiperidine based complexes for lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5374","5387","10.1039/c5dt04695e","","x-ray","0.71073","MoKα","","0.0216","0.0186","","","0.0374","0.0377","","","","","","0.99","","","","has coordinates","181678","2020-10-21","18:00:00",""
"7038567","52.08","0.002","43.9225","0.0008","27.7395","0.0006","90","","90","","90","","63454","3","123.01","0.1","123.01","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C117.6 H140.75 F2 K2 N25.45 O51.95 -","- C117.6 H140.75 F2 K2 N25.45 O51.95 -","- C1881.6 H2252 F32 K32 N407.2 O831.2 -","16","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0873","0.0823","","","0.2222","0.2316","","","","","","1.064","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038909","12.8325","0.0008","26.6088","0.0014","7.2481","0.0004","90","","90","","90","","2474.9","0.2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H4 Cu N O2 -","- C6 H4 Cu N O2 -","- C96 H64 Cu16 N16 O32 -","16","1","","Zhou, Jian; Tan, Xiaofeng; Hu, Feilong; Zou, Hua-Hong; Almeida Paz, Filipe A.; Fu, Lianshe; Zhao, Rongqing","A 3-D net based on weak metallophilic (CuCu) interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11292","11296","10.1039/c6dt00883f","","","0.71073","MoKα","","0.0489","0.0407","","","0.0789","0.0875","","","","","","1.069","","","","has coordinates","185506","2020-10-21","18:00:00",""
"7039016","20.763","0.003","31.748","0.005","8.6715","0.0012","90","","90","","90","","5716.1","1.5","292","2","292","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H40 N4 O2 -","- C31 H40 N4 O2 -","- C248 H320 N32 O16 -","8","0.5","","Kumar, Amit; Kumar, Ashish; Pandey, Daya Shankar","N,N-Diethylamine appended binuclear Zn(ii) complexes: highly selective and sensitive fluorescent chemosensors for picric acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8475","8484","10.1039/c6dt00747c","","","0.71073","MoKα","","0.0351","0.0321","","","0.0865","0.0895","","","","","","1.108","","","","has coordinates","185417","2020-10-21","18:00:00",""
"7039381","37.438","0.003","17.1664","0.0013","19.0285","0.0014","90","","90","","90","","12229.2","1.6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C51 H69 Ba N15 Ni2 O6 S6 -","- C51 H69 Ba N15 Ni2 O6 S6 -","- C408 H552 Ba8 N120 Ni16 O48 S48 -","8","0.5","","Nguyen, H. H.; Jegathesh, J. J.; Takiden, A.; Hauenstein, D.; Pham, C. T.; Le, C. D.; Abram, U.","2,6-Dipicolinoylbis(N,N-dialkylthioureas) as versatile building blocks for oligo- and polynuclear architectures.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10771","10779","10.1039/c6dt01389a","","","0.71073","MoKα","","0.0166","0.0153","","","0.0332","0.0334","","","","","","1.065","","","","has coordinates,has disorder","185338","2020-10-21","18:00:00",""
"7039556","9.17","0.003","24.337","0.009","33.568","0.011","90","","90","","90","","7491","4","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C38 H56 Li2 N6 -","- C38 H56 Li2 N6 -","- C304 H448 Li16 N48 -","8","0.5","","Greer, Jamie A.; Blair, Victoria L.; Thompson, Christopher D.; Andrews, Philip C.","Simplifying metal-'ate' chemistry: formation and comprehensive characterisation of a homo-metallic amido lithiate complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10887","10890","10.1039/c6dt01630h","","","0.71073","MoKα","","0.1087","0.0837","","","0.2389","0.2657","","","","","","1.056","","","","has coordinates,has disorder","185409","2020-10-21","18:00:00",""
"7039770","19.971","0.002","40.861","0.006","13.081","0.002","90","","90","","90","","10675","3","291","1","291","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C52 H60 Cl2 Mn N8 O10 -","- C52 H60 Cl2 Mn N8 O10 -","- C416 H480 Cl16 Mn8 N64 O80 -","8","0.5","","Adhikary, Jaydeep; Chakraborty, Aratrika; Dasgupta, Sanchari; Chattopadhyay, Shyamal Kumar; Kruszynski, Rafał; Trzesowska-Kruszynska, Agata; Stepanović, Stepan; Gruden-Pavlović, Maja; Swart, Marcel; Das, Debasis","Unique mononuclear Mn(II) complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12409","12422","10.1039/c6dt00625f","","","0.71073","MoKα","","0.0467","0.0372","","","0.0918","0.0989","","","","","","1.03","","","","has coordinates","185463","2020-10-21","18:00:00",""
"7040162","29.8951","0.0004","87.9118","0.0012","16.0433","0.0002","90","","90","","90","","42163.9","1","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C51 H89 Ge12 N6 Nd9 O70 -","- C51 H57 Ge12 N6 Nd9 O70 -","- C816 H912 Ge192 N96 Nd144 O1120 -","16","1","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.0505","0.044","","","0.1297","0.1367","","","","","","1.071","","","","has coordinates","185054","2020-10-21","18:00:00",""
"7040175","21.566","0.013","21.76","0.013","13.11","0.008","90","","90","","90","","6152","6","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ba Cd S4 Sn -","- Ba Cd S4 Sn -","- Ba32 Cd32 S128 Sn32 -","32","2","","Zhen, Ni; Wu, Kui; Wang, Ying; Li, Qiang; Gao, Wenhui; Hou, Dianwei; Yang, Zhihua; Jiang, Huaidong; Dong, Yongjun; Pan, Shilie","BaCdSnS4 and Ba3CdSn2S8: syntheses, structures, and non-linear optical and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10681","10688","10.1039/c6dt01537a","","","0.71073","MoKα","","0.047","0.0276","","","0.0601","0.0646","","","","","","0.916","","","","has coordinates","185057","2020-10-21","18:00:00",""
"7040204","38.069","0.002","17.3973","0.0006","8.3793","0.0003","90","","90","","90","","5549.6","0.4","130","2","130","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H40 F2 N2 Ni P2 -","- C26 H40 F2 N2 Ni P2 -","- C208 H320 F16 N16 Ni8 P16 -","8","0.5","","Zurita, Daniel A.; Flores-Alamo, Marcos; García, Juventino J","Catalytic transfer hydrogenation of azobenzene by low-valent nickel complexes: a route to 1,2-disubstituted benzimidazoles and 2,4,5-trisubstituted imidazolines.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10389","10401","10.1039/c6dt01674j","","","0.71073","MoKα","","0.0391","0.0319","","","0.0661","0.0702","","","","","","1.054","","","","has coordinates","185064","2020-10-21","18:00:00",""
"7041824","39.801","0.002","15.0805","0.0011","8.9654","0.0005","90","","90","","90","","5381.2","0.6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C12 H18 F12 Mn N2 O12 S4 -","- C12 H18 F12 Mn N2 O12 S4 -","- C96 H144 F96 Mn8 N16 O96 S32 -","8","0.5","","Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2497","2509","10.1039/c6dt04781e","","","0.71073","MoKα","","0.0777","0.0773","","","0.1799","0.1802","","","","","","1.261","","","","has coordinates","193782","2020-10-21","18:00:00",""
"7041976","24.029","0.004","29.365","0.005","12.6042","0.0017","90","","90","","90","","8894","2","150.15","","150.15","","","","","","","","","10","F d d 2","F 2 -2d","43","","","","- C15.38 H23.75 B Cl0.75 Co F4 Fe N3 O2 S2 -","- C15.377 H23.754 B Cl0.754 Co F4 Fe N3 O2 S2 -","- C246.032 H380.064 B16 Cl12.064 Co16 F64 Fe16 N48 O32 S32 -","16","1","","Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5617","5624","10.1039/c6dt04666e","","","0.71073","MoKα","","0.0372","0.0344","","","0.0969","0.0987","","","","","","1.065","","","","has coordinates,has disorder","196390","2020-10-21","18:00:00",""
"7042172","86.5994","0.0008","25.6783","0.0003","12.9003","0.0002","90","","90","","90","","28686.7","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H45 Cl N4 Pd -","- C42 H45 Cl N4 Pd -","- C1344 H1440 Cl32 N128 Pd32 -","32","2","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","x-ray","0.71073","MoKα","","0.0689","0.0651","","","0.145","0.147","","","","","","1.192","","","","has coordinates","195093","2020-10-21","18:00:00",""
"7042200","48.447","0.009","51.45","0.012","22.862","0.005","90","","90","","90","","56986","2","200","2","200","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C50 H52.5 B4 F16 N21 Ni2 O0.75 S4 -","- C49.6 H50.4 B4 F16 N20.8 Ni2 O0.7 S4 -","- C1587.2 H1612.8 B128 F512 N665.6 Ni64 O22.4 S128 -","32","2","","Yang, Lu; Zhao, Liang; Zhou, Zhen; He, Cheng; Sun, Hui; Duan, Chunying","A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4086","4092","10.1039/c6dt04299f","","","0.71073","MoKα","","0.1994","0.0952","","","0.2152","0.255","","","","","","0.954","","","","has coordinates,has disorder","195129","2020-10-21","18:00:00",""
"7042345","22.8514","0.0007","72.36","0.002","5.8722","0.0002","90","","90","","90","","9709.8","0.5","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C24 H24 Cl3 N4 P Pt S -","- C24 H24 Cl3 N4 P Pt S -","- C384 H384 Cl48 N64 P16 Pt16 S16 -","16","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0321","0.0256","","","0.0442","0.0453","","","","","","1.055","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7043613","15.3257","0.001","20.0375","0.001","24.9024","0.0019","90","","90","","90","","7647.2","0.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H18 Mn N6 O11 -","- C36 H18 Mn N6 O11 -","- C288 H144 Mn8 N48 O88 -","8","0.5","","Gu, Jinzhong; Liang, Xiaoxiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block","Dalton Trans.","2017","","","","","10.1039/C7DT01742A","","","0.71073","MoKα","","0.121","0.0933","","","0.2635","0.3021","","","","","","1.083","","","","has coordinates,has disorder","198738","2020-10-21","18:00:00",""
"7043859","44.924","0.002","47.578","0.002","21.0515","0.0011","90","","90","","90","","44995","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C140 H134 F8 Ir2 N2 P6 -","- C126 H118 F8 Ir2 N2 P6 -","- C2016 H1888 F128 Ir32 N32 P96 -","16","1","","Casado, Miguel Ángel; Mena, Inmaculada; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.","Reactivity of Parent Amido Complexes of Iridium with Olefins: C-NH2 Bond Formation versus C-H Activation","Dalton Trans.","2017","","","","","10.1039/C7DT01924F","","","0.71073","MoKα","","0.0667","0.0486","","","0.1006","0.1084","","","","","","1.079","","","","has coordinates","199422","2020-10-21","18:00:00",""
"7044088","39.603","0.003","44.958","0.003","12.7721","0.0009","90","","90","","90","","22740","3","120","","120","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C88 H108 Cu4 Na4 O32 S8 Si12 -","- C88 H108 Cu4 Na4 O32 S8 Si12 -","- C704 H864 Cu32 Na32 O256 S64 Si96 -","8","0.5","","Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail","Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02017A","","","0.71073","MoKα","","0.0717","0.0453","","","0.1012","0.1131","","","","","","1.06","","","","has coordinates","200112","2020-10-21","18:00:00",""
"7044521","32.741","0.002","18.6304","0.0011","9.7858","0.0006","90","","90","","90","","5969.1","0.6","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H28 Cl Ir P2 -","- C37 H28 Cl Ir P2 -","- C296 H224 Cl8 Ir8 P16 -","8","0.5","","Sung, Simon; Young, Rowan Drury","Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand","Dalton Trans.","2017","","","","","10.1039/C7DT03690F","","","0.71073","MoKα","","0.0264","0.025","","0.0678","0.0664","0.0678","","","","","","1.0037","","","","has coordinates","202290","2020-10-21","18:00:00",""
"7045918","33.128","0.004","10.4228","0.0011","18.122","0.002","90","","90","","90","","6257.3","1.2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C25 H23 N11 O3 -","- C25 H23 N11 O3 -","- C200 H184 N88 O24 -","8","0.5","","Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut","Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5734","5742","10.1039/c8dt00683k","","","0.71073","MoKα","","0.102","0.0972","","","0.2606","0.2667","","","","","","1.073","","","","has coordinates","229627","2020-10-21","18:00:00",""
"7046263","22.8739","0.0007","30.4914","0.0009","10.5514","0.0003","90","","90","","90","","7359.2","0.4","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C38 H32 B2 F8 N2 Ni O2 P2 -","- C38 H32 B2 F8 N2 Ni O2 P2 -","- C304 H256 B16 F64 N16 Ni8 O16 P16 -","8","0.5","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0579","0.0507","","","0.1159","0.1197","","","","","","1.111","","","","has coordinates,has disorder","229898","2020-10-21","18:00:00",""
"7047732","43.1777","0.0013","31.7106","0.0009","12.5293","0.0003","90","","90","","90","","17155","0.8","247","40","247","40","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C33 H58 Cl2 Ge N2 O Rh Si2 -","- C33 H58 Cl2 Ge N2 O Rh Si2 -","- C528 H928 Cl32 Ge16 N32 O16 Rh16 Si32 -","16","1","","Bakthavachalam, K.; Dutta, Sayan; C, Arivazhagan; Raghavendra, Beesam; Haridas, Anagha; Sen, Sakya S.; Koley, Debasis; Ghosh, Sundargopal","Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15835","15844","10.1039/c8dt03166e","","","0.71073","MoKα","","0.0423","0.0357","","","0.0962","0.1011","","","","","","1.072","","","","has coordinates","229269","2020-10-21","18:00:00",""
"7047981","23.2044","0.0013","28.9097","0.0017","7.4145","0.0004","90","","90","","90","","4973.9","0.5","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H38 N2 O3 P2 -","- C24 H38 N2 O3 P2 -","- C192 H304 N16 O24 P16 -","8","0.5","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1353","0.0765","","","0.2154","0.2993","","","","","","1.071","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7048009","38.776","0.008","51.519","0.01","9.2266","0.0018","90","","90","","90","","18432","6","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C31 H49 Br F6 Ni P3 Sb -","- C31 H49 Br F6 Ni P3 Sb -","- C496 H784 Br16 F96 Ni16 P48 Sb16 -","16","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0552","0.04","","","0.0825","0.0961","","","","","","1.021","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048445","18.099","0.004","56.282","0.011","13.435","0.003","90","","90","","90","","13686","5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C31 H24 Co N6 O5 -","- C31 H24 Co N6 O5 -","- C496 H384 Co16 N96 O80 -","16","1","","Wang, Dong; Hu, Zhiyong; Xu, Shasha; Li, Dandan; Zhang, Qiong; Ma, Wen; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Fluorescent metal-organic frameworks based on mixed organic ligands: new candidates for highly sensitive detection of TNP.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1900","1905","10.1039/c8dt03811b","","","0.71073","MoKα","","0.0782","0.0758","","","0.2072","0.2106","","","","","","1.013","","","","has coordinates","224007","2020-10-21","18:00:00",""
"7048725","11.268","0.008","19.419","0.014","39.46","0.03","90","","90","","90","","8634","11","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H34 B10 N2 -","- C12 H34 B10 N2 -","- C192 H544 B160 N32 -","16","1","","Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong","Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7242","7248","10.1039/c8dt04877k","","","0.71073","MoKα","","0.2822","0.096","","","0.1791","0.2295","","","","","","1.121","","","","has coordinates,has disorder","224447","2020-10-21","18:00:00",""
"7048999","13.0625","0.0007","26.5775","0.0016","12.5503","0.0007","90","","90","","90","","4357.1","0.4","120","2","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Co2 N16 O4 -","- C16 H16 Co2 N16 O4 -","- C128 H128 Co16 N128 O32 -","8","0.5","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.021","0.0195","","","0.0457","0.0462","","","","","","1.097","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049000","13.1899","0.0008","27.1044","0.0018","12.7668","0.0008","90","","90","","90","","4564.2","0.5","120","2","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 Mn2 N16 O4 -","- C16 H16 Mn2 N16 O4 -","- C128 H128 Mn16 N128 O32 -","8","0.5","","Zhong, Li; Xie, Shang-Fang; He, Jian-Qiang; Zhong, Qi-Sui; Yang, Meng; Chen, Wen-Bin; Dong, Wen","Syntheses, structures, magnetism and electrocatalytic oxygen evolution for four cobalt, manganese and copper complexes with dinuclear, 1D and 3D structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3467","3475","10.1039/c9dt00227h","","x-ray","0.71073","MoKα","","0.0328","0.026","","","0.0561","0.0584","","","","","","1.04","","","","has coordinates","223816","2020-10-21","18:00:00",""
"7049459","47.198","0.003","15.9275","0.001","18.8189","0.0011","90","","90","","90","","14147","1.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H42 Cl6 Ru3 -","- C30 H42 Cl6 Ru3 -","- C480 H672 Cl96 Ru48 -","16","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.0889","0.0654","","","0.167","0.193","","","","","","1.051","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049553","47.195","0.009","7.5213","0.0015","12.183","0.002","90","","90","","90","","4324.6","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Se6 Sn -","- Ga2 Ge Se6 Sn -","- Ga32 Ge16 Se96 Sn16 -","16","1","","Li, Zhuang; Zhang, Shengzi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","SnGa<sub>2</sub>GeSe<sub>6</sub>, a benign addition to the AMM<sup>IV</sup>Q<sub>6</sub> family: synthesis, crystal structure and nonlinear optical performance.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6638","6644","10.1039/c9dt00184k","","","0.71073","MoKα","","0.04","0.0361","","","0.0699","0.0717","","","","","","1.021","","","","has coordinates","224169","2020-10-21","18:00:00",""
"7049618","29.445","0.006","70.806","0.014","9.946","0.002","90","","90","","90","","20736","7","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C35 H53 B Mg N2 O4 -","- C35 H53 B Mg N2 O4 -","- C840 H1272 B24 Mg24 N48 O96 -","24","1.5","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","0.71073","MoKα","","0.0346","0.0322","","","0.0822","0.0837","","","","","","1.06","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049664","43.6028","0.0006","9.9809","0.0002","10.5817","0.0001","90","","90","","90","","4605.1","0.12","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H12 F2 Mo O8 P2 -","- C24 H12 F2 Mo O8 P2 -","- C192 H96 F16 Mo8 O64 P16 -","8","0.5","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0148","0.0145","","","0.0375","0.0376","","","","","","1.112","","","","has coordinates","214604","2020-10-21","18:00:00",""
"7050034","14.3905","0.0007","42.019","0.002","42.158","0.002","90","","90","","90","","25492","2","193","2","193","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H62 Cu2 N12 O27 -","- C40 H32 Cu2 N12 O26 -","- C640 H512 Cu32 N192 O416 -","16","1","","Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.","A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer","New Journal of Chemistry","2005","29","3","434","","10.1039/b412334d","","","0.71073","MoKα","","0.0797","0.0699","","","0.2103","0.2233","","","","","","1.097","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00",""
"7050273","19.001","0.003","25.829","0.008","7.844","0.002","90","","90","","90","","3849.7","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C160 H160 N64 O16 -","16","1","","Carmen Alvarez-Rua; Santiago García-Granda; Shyamaprosad Goswami; Reshmi Mukherjee; Swapan Dey; Rosa M. Claramunt; M. Dolores Santa María; Isabel Rozas; Nadine Jagerovic; Ibon Alkorta; José Elguero","Multiple hydrogen bonds and tautomerism in naphthyridine derivatives","New J. Chem.","2004","28","6","700","707","10.1039/b315692c","","","1.5418","CuKα","","0.085","0.0482","","","0.0994","0.1184","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050306","29.564","0.003","46.197","0.006","8.5541","0.001","90","","90","","90","","11683","2","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl 2:1 adduct with Floroglucine, Monohydrate","","- C26 H36 N8 O4 -","- C26 H36 N8 O4 -","- C416 H576 N128 O64 -","16","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0549","0.0432","","","0.1057","0.111","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050413","41.966","0.001","34.575","0.001","9.741","0.001","90","","90","","90","","14133.9","1.5","173","","173","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C35 H32 Fe N2 O5 P2 -","- C35 H27 Fe N2 O5 P2 -","- C560 H432 Fe16 N32 O80 P32 -","16","1","","Braunstein, Pierre; Clerc, Guislaine; Morise, Xavier","Cyclopropanation and Diels‒Alder reactions catalyzed by the first heterobimetallic complexes with bridging phosphinooxazoline ligands","New Journal of Chemistry","2003","27","1","68","72","10.1039/b206410n","","","0.71073","Mo-Kα","","0.085","0.046","","0.106","","0.079","","","1.802","","","1.361","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050750","34.619","0.007","18.823","0.004","5.61","0.001","90","","90","","90","","3655.7","1.3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","N,N'-Bis(2-pyridyl) -4,4'-thiobis(aminobenzene)","","- C22 H18 N4 S -","- C22 H18 N4 S -","- C176 H144 N32 S8 -","8","0.5","","Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz","Supramolecular structures formed by 2-aminopyridine derivatives.","New Journal of Chemistry","2002","26","4","448","","10.1039/b108861k","","","1.54178","CuKα","","0.0352","0.0347","","","0.0898","0.0904","","","","","","1.074","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7050850","14.651","0.002","55.471","0.006","10.259","0.001","90","0.003","90","0.003","90","0.003","8337.5","1.7","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","Binaphthol THF","2,2'-dihydroxy-1,1'-binaphthyl tetrahydrofuran clathrate","","- C26 H26 O3.5 -","- C26 H26 O3.5 -","- C416 H416 O56 -","16","1","","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with volatile guests: structures, selectivity and kinetics of desolvation","New Journal of Chemistry","2002","26","8","989","","10.1039/b201255n","","","0.7107","MoKα","","0.1052","0.0993","","","0.2664","0.2748","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051051","15.642","0.003","29.006","0.006","6.556","0.0011","90","","90","","90","","2974.5","0.9","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C96 H128 N32 O48 -","16","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008262g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051478","24.826","0.002","39.023","0.003","14.233","0.004","90","0.005","90","0.008","90","0.012","13789.3","3.6","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C28.5 H34 B Cl4 Mo N8 O2 -","- C28.5 H31 B Cl4 Mo N8 O2 -","- C456 H496 B16 Cl64 Mo16 N128 O32 -","16","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a904599f","","","","","","","0.0511","","","0.1031","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051804","12.0015","0.0009","17.6425","0.0013","4.5555","0.0004","90","","90","","90","","964.57","0.13","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","DNU","","","- C H2 N4 O5 -","- C H2 N4 O5 -","- C8 H16 N32 O40 -","8","0.5","","Ye, Chengfeng; Gao, Haixiang; Twamley, Brendan; Shreeve, Jean’ne M.","Dense energetic salts of N,N′-dinitrourea (DNU)","New Journal of Chemistry","2008","32","2","317","","10.1039/b712417a","","","0.71073","MoKα","","0.024","0.0236","","","0.0617","0.062","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052562","25.726","0.002","28.737","0.003","9.0939","0.0008","90","","90","","90","","6723","1.1","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H10 Br2 F4 S2 -","- C16 H10 Br2 F4 S2 -","- C256 H160 Br32 F64 S32 -","16","1","","Xia, Jian-Long; Zhang, Chan; Zhu, Xingxun; Ou, Yaping; Jin, Guo-Jun; Yu, Guang-ao; Liu, Sheng Hua","Substituted diethynyldithia[3.3]paracyclophanes—synthetically more accessible new building blocks for molecular scaffolding","New Journal of Chemistry","2011","35","1","97","","10.1039/c0nj00553c","","","0.71073","MoKα","","0.0955","0.0754","","","0.1728","0.1829","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052757","19.641","0.0007","47.28","0.0014","9.725","0.003","90","","90","","90","","9031","3","293","2","293","2","101","1","101","1","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H25 Cl N3 O Rh -","- C23 H25 Cl N3 O Rh -","- C368 H400 Cl16 N48 O16 Rh16 -","16","1","","Rosenberg, Marianne Lenes; Langseth, Eirin; Krivokapic, Alexander; Gupta, Nalinava Sen; Tilset, Mats","Investigation of ligand steric effects on a highly cis-selective Rh(i) cyclopropanation catalyst","New Journal of Chemistry","2011","35","10","2306","","10.1039/c1nj20343f","","","0.71073","MoKα","","0.0253","0.0226","","","0.0515","0.053","","","","","","1.025","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052853","27.455","0.007","36.891","0.009","9.656","0.002","90","","90","","90","","9780","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H26 N2 O13 -","- C22 H16 N2 O8 -","- C352 H256 N32 O128 -","16","1","","Hill, Yennifer; Linares, Maholy; Briceño, Alexander","Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes","New Journal of Chemistry","2012","36","3","554","","10.1039/c2nj20855e","","","0.7107","MoKα","","0.0664","0.0578","","","0.1561","0.1635","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053836","33.048","0.007","27.265","0.005","9.0412","0.0017","90","","90","","90","","8147","3","153","1","153","1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H48 N6 Ni O6 P2 S2 -","- C36 H48 N6 Ni O6 P2 S2 -","- C288 H384 N48 Ni8 O48 P16 S16 -","8","0.5","","Safin, Damir A.; Babashkina, Maria G.; Klein, Axel; Sokolov, Felix D.; Baranov, Sergey V.; Pape, Tania; Hahn, F. Ekkehardt; Krivolapov, Dmitriy B.","The influence of an intramolecular hydrogen bond on the 1,3-N,S-coordination of crown ether-containing N-phosphorylthiourea with NiII","New Journal of Chemistry","2009","33","12","2443","","10.1039/b9nj00252a","","","0.71073","MoKα","","0.0416","0.0338","","","0.0641","0.0653","","","","","","0.847","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7054553","15.836","0.005","24.736","0.007","7.948","0.002","90","","90","","90","","3113.4","1.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H8 Cu N4 -","- C6 H8 Cu N4 -","- C96 H128 Cu16 N64 -","16","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhao, Zhi-Feng; Sun, Wen-Long; Zhou, Bai-Bin","Two novel topological structures of [Cu(CN)] coordination polymers modified by flexible triazole ligands","New J. Chem.","2015","39","2","1301","","10.1039/C4NJ01499E","","","0.71073","MoKα","","0.024","0.0235","","","0.0608","0.0611","","","","","","1.048","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7055253","17.461","0.003","67.604","0.009","12.0678","0.0017","90","","90","","90","","14245","4","295","","295","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H45 N7 Ni2 O4 S2 -","- C28 H45 N7 Ni2 O4 S2 -","- C448 H720 N112 Ni32 O64 S32 -","16","1","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.1745","0.0874","","","0.1206","0.1526","","","","","","1.13","","","","has coordinates,has disorder","181773","2020-10-21","18:00:00",""
"7055393","33.209","0.004","14.8798","0.0018","18.8479","0.0018","90","","90","","90","","9313.6","1.8","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H34 Cl2 Fe N8 O13 -","- C42 H34 Cl2 Fe N8 O13 -","- C336 H272 Cl16 Fe8 N64 O104 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1398","0.0961","","","0.2473","0.2876","","","","","","1.033","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055394","33.402","0.006","15.304","0.003","19.044","0.003","90","","90","","90","","9735","3","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H35.33 Cl2 Fe N8 O12.67 -","- C42 H35.3332 Cl2 Fe N8 O12.6666 -","- C336 H282.666 Cl16 Fe8 N64 O101.333 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1077","0.0911","","","0.2336","0.2491","","","","","","1.017","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055395","32.579","0.01","17.101","0.004","18.604","0.004","90","","90","","90","","10365","5","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H34 Cl2 Fe N8 O12 -","- C42 H34 Cl2 Fe N8 O12 -","- C336 H272 Cl16 Fe8 N64 O96 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.2022","0.0958","","","0.2304","0.3048","","","","","","0.966","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7056311","33.988","0.002","22.4348","0.0004","25.8057","0.0004","90","","90","","90","","19677.2","1.2","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H46 Cl4 Mn3 N6 O6 -","- C45 H46 Cl4 Mn3 N6 O6 -","- C720 H736 Cl64 Mn48 N96 O96 -","16","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0529","0.0515","","","0.1372","0.1391","","","","","","1.064","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056938","24.927","0.005","47.25","0.01","14.055","0.003","90","","90","","90","","16554","6","100","","100","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C36 H37 Cl4 Cu K2 N4 Ni2 O8.5 -","- C36 H36 Cl4 Cu K2 N4 Ni2 O8.5 -","- C576 H576 Cl64 Cu16 K32 N64 Ni32 O136 -","16","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.","Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations","New Journal of Chemistry","2018","42","5","3683","","10.1039/C7NJ04347C","","","0.71073","MoKα","","0.0404","0.0329","","0.0464","0.0345","0.0342","","","","","","1.069","","","","has coordinates","230251","2020-10-21","18:00:00",""
"7057095","19.387","0.003","30.384","0.005","8.6076","0.0015","90","","90","","90","","5070.3","1.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H15 I N2 -","- C11 H15 I N2 -","- C176 H240 I16 N32 -","16","1","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.0524","0.0371","","","0.0898","0.0995","","","","","","1.111","","","","has coordinates","230377","2020-10-21","18:00:00",""
"7057155","31.346","0.006","40.527","0.008","5.7826","0.0012","90","","90","","90","","7346","3","294","2","294","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H13 Br2 N Se2 -","- C17 H13 Br2 N Se2 -","- C272 H208 Br32 N16 Se32 -","16","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71073","MoKα","","0.0419","0.0331","","","0.0676","0.0709","","","","","","1.028","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057425","19.3835","0.0002","18.9731","0.0002","14.30664","0.00017","90","","90","","90","","5261.48","0.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H38 N8 O -","- C28 H38 N8 O -","- C224 H304 N64 O8 -","8","0.5","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0628","0.063","","","","","","1.096","","","","has coordinates,has disorder","207710","2020-10-21","18:00:00",""
"7058023","34.864","0.003","45.768","0.004","8.0403","0.0007","90","","90","","90","","12829.5","1.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C236 H296 N24 O72 Zn8 -","- C236 H296 N24 O72 Zn8 -","- C472 H592 N48 O144 Zn16 -","2","0.125","","Zhu, Rong-Rong; Wang, Tao; Wang, Da-Wei; Yan, Tong; Wang, Quan; Li, Hang-Xing; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Zinc-based CPs for effective detection of Fe3+ and Cr2O72− ions","New Journal of Chemistry","2019","43","3","1494","","10.1039/C8NJ05508D","","","0.71073","MoKα","","0.0545","0.0398","","","0.0864","0.0924","","","","","","0.998","","","","has coordinates","225016","2020-10-21","18:00:00",""
"7058094","26.181","0.001","24.18","0.0008","10.7074","0.0004","90","","90","","90","","6778.4","0.4","290","","290","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C320 H272 N48 O32 -","16","1","","Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.","Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures","New Journal of Chemistry","2019","43","6","2740","","10.1039/C8NJ05748F","","","0.71073","MoKα","","0.0787","0.0497","","","0.1072","0.121","","","","","","1.102","","","","has coordinates","224829","2020-10-21","18:00:00",""
"7058217","17.2071","0.0007","34.1615","0.0014","14.3823","0.0007","90","","90","","90","","8454.2","0.6","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C58 H38 O4 -","- C58 H38 O4 -","- C464 H304 O32 -","8","0.5","","Shahrokhi, Farshid; Zhao, Yuming","A tetrathiafulvalene vinylogue-based double-layer polymer thin film as a highly sensitive and selective TNT sensor","New Journal of Chemistry","2019","43","14","5277","","10.1039/C8NJ06467A","","","1.54178","CuKα","","0.0542","0.0458","","","0.1129","0.1176","","","","","","1.062","","","","has coordinates","224879","2020-10-21","18:00:00",""
"7058679","39.603","","43.585","","38.789","","90","","90","","90","","66953.6","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 N18 O30 Zn6 -","- C108 H72 N18 O30 Zn6 -","- C1728 H1152 N288 O480 Zn96 -","16","1","","Qin, Bo-Wen; Zhang, Xiao-Ying; Zhang, Jing-Ping","A stable luminescent zinc‒organic framework as a dual-sensor toward Cu2+ and Cr2O72−, and excellent platform-encapsulated Ln3+ for systematic color tuning and white-light emission","New Journal of Chemistry","2019","43","35","13794","","10.1039/C9NJ02861G","","","0.71073","MoKα","","0.0934","0.0648","","","0.1696","0.1865","","","","","","0.977","","","","has coordinates","224958","2020-10-21","18:00:00",""
"7058779","29.035","0.003","20.1894","0.0009","7.8421","0.0005","90","","90","","90","","4597","0.6","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C9 H10 N O7 V -","- C9 H10 N O7 V -","- C144 H160 N16 O112 V16 -","16","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Drew, Michael G. B.; Jangra, Nancy; Maurya, Mannar R.; Kundu, Mousumi; Sil, Parames C.; Chakrabarti, Syamal","Synthesis, crystal structure, DFT calculations, protein interaction, anticancer potential and bromoperoxidase mimicking activity of oxidoalkoxidovanadium(v) complexes","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02471A","","","0.71073","MoKα","","0.0283","0.026","","","0.0641","0.0655","","","","","","1.071","","","","has coordinates","217815","2020-10-21","18:00:00",""
"7058780","22.236","0.008","30.525","0.01","7.549","0.003","90","","90","","90","","5124","3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H12 N O7 V -","- C10 H12 N O7 V -","- C160 H192 N16 O112 V16 -","16","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Drew, Michael G. B.; Jangra, Nancy; Maurya, Mannar R.; Kundu, Mousumi; Sil, Parames C.; Chakrabarti, Syamal","Synthesis, crystal structure, DFT calculations, protein interaction, anticancer potential and bromoperoxidase mimicking activity of oxidoalkoxidovanadium(v) complexes","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02471A","","","0.71073","MoKα","","0.0559","0.0417","","","0.0837","0.0896","","","","","","1.028","","","","has coordinates","217815","2020-10-21","18:00:00",""
"7059109","22.391","0.005","34.918","0.008","16.505","0.004","90","","90","","90","","12904","5","298","2","298.03","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H40 Cu N10 -","- C32 H40 Cu N10 -","- C512 H640 Cu16 N160 -","16","1","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0373","0.0281","","","0.0667","0.0716","","","","","","1.047","","","","has coordinates,has disorder","235710","2020-10-21","18:00:00",""
"7059312","17.0884","0.0015","38.951","0.004","12.1957","0.0011","90","","90","","90","","8117.6","1.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H25 N5 O2 S2 -","- C17 H25 N5 O2 S2 -","- C272 H400 N80 O32 S32 -","16","1","","Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich","Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)","New Journal of Chemistry","2020","44","9","3672","3680","10.1039/C9NJ06420F","","","0.71073","MoKα","","0.131","0.1222","","","0.2454","0.2498","","","","","","1.148","","","","has coordinates,has disorder","257819","2020-10-21","18:00:00",""
"7059431","17.6045","0.0009","30.805","0.0016","5.0463","0.0002","90","","90","","90","","2736.6","0.2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H2 N10 O9 -","- C8 H2 N10 O9 -","- C64 H16 N80 O72 -","8","0.5","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.0625","0.0386","","","0.095","0.1188","","","","","","1.108","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7061114","48.4669","0.001","32.265","0.0005","4.4093","0.0001","90","","90","","90","","6895.2","0.2","290","","290","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H10 Cl Cs N2 O5 -","- C13 H10 Cl Cs N2 O5 -","- C208 H160 Cl16 Cs16 N32 O80 -","16","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0324","0.0308","","","0.0724","0.0738","","","","","","1.136","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061536","15.6299","0.0006","56.8151","0.0011","37.3175","0.0007","90","","90","","90","","33138.5","1.6","169.98","0.13","169.98","0.13","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C52 H30 Ag F6 N4 O P -","- C52 H28 Ag F6 N4 O P -","- C1664 H896 Ag32 F192 N128 O32 P32 -","32","2","","Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan","Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore","New Journal of Chemistry","2022","46","24","11835","11839","10.1039/D2NJ01861F","","","1.54184","CuKα","","0.0943","0.0839","","","0.2205","0.2342","","","","","","1.006","","","","has coordinates,has disorder","276637","2022-07-06","08:19:11",""
"7100531","18.495","0.008","25.73","0.005","7.023","0.005","90","","90","","90","","3342","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","cis-Diaquatetrachlorotechnetium(IV) dioxane solvate","","","- C8 H20 Cl4 O6 Tc -","- C8 H20 Cl4 O6 Tc -","- C64 H160 Cl32 O48 Tc8 -","8","0.5","","Abram, U.; Yegen, E.; Hagenbach, A.","[TcCl4(H2O)2] and [Cl3(H2O)2TcOTc(H2O)2Cl3] ‒ Two Molecular Intermediates of the Hydrolysis of Technetium(IV)","Chemical Communications (Cambridge, United Kingdom)","2005","","44","5575","5577","10.1039/b509686c","","","","","","","","","","","","","","","","","","","","","has coordinates","210945","2020-10-21","18:00:00",""
"7100567","27.042","0.013","48.74","0.02","8.026","0.003","90","","90","","90","","10579","8","233","2","233","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C25 H21 Cl2 Fe N4 O7 -","- C25 H21 Cl2 Fe N4 O7 -","- C400 H336 Cl32 Fe16 N64 O112 -","16","1","","Wonwoo Nam.; Mark B. Consugar; Kwan Mook Kim.; Jinheung Kim.; Mi Hee Lim.; Na Young Oh; Mi Joo Park; Q.Lawrence Junior; Jan-Uwe Rohde; Mi Sook Seo.","Self-hydroxylation of perbenzoic acids at a nonheme iron(II) center","Chemical Communications","2005","","","","","10.1039/b511302d","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101047","20.124","0.004","20.109","0.004","44.699","0.014","90","","90","","90","","18089","8","170","2","170","2","","","","","","","","4","F d d 2","F 2 -2d","43","Pentakis-(1,2,4-triazolato)-bis-(1,2,4-triazole)-bis- europium(II/III)","","","- C14 H16 Eu2 N21 -","- C13.5 H11.5 Eu2 N21 -","- C432 H368 Eu64 N672 -","32","2","","Klaus Muller-Buschbaum; Yassin Mokaddem","3-Dimensional Networks of Lanthanide 1,2,4-Triazolates: 3-infinite[Yb(Tz)3] and 3-infinite[Eu2(Tz)5(TzH)2], the First 4f Networks with Complete Nitrogen Coordination","Chemical Communications","2006","","","","","10.1039/b601450j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7101284","18.3896","0.0014","26.778","0.002","4.7968","0.0004","90","","90","","90","","2362.1","0.3","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","0.5","","Miao, Jian-Jun; Fu, Rui-Ling; Zhu, Jian-Min; Xu, Ke; Zhu, Jun-Jie; Chen, Hong-Yuan","Fabrication of Cd(OH)2 nanorings by ultrasonic chiselling on Cd(OH)2 nanoplates","Chemical Communications (Cambridge, United Kingdom)","2006","","28","3013","3015","10.1039/b604688f","","","0.71073","MoKα","","0.0324","0.032","","","0.0836","0.0839","","","","","","1.105","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101709","25.675","0.003","39.811","0.004","7.9886","0.0008","90","","90","","90","","8165.5","1.5","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H29 N3 O2 -","- C22 H29 N3 O2 -","- C352 H464 N48 O32 -","16","1","","Betson, Mark S; Bracegirdle, Ann; Clayden, Jonathan; Helliwell, Madeleine; Lund, Andrew; Pickworth, Mark; Snape, Timothy J; Worrall, Christopher P","Achieving conformational control over C-C, C-N and C-O bonds in biaryls, N,N'-diarylureas and diaryl ethers: advantages of a relay axis.","Chemical communications (Cambridge, England)","2007","","7","754","756","10.1039/b614618j","","","0.71073","MoKα","","0.0355","0.0298","","","0.0656","0.0672","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102201","31.128","0.011","33.904","0.012","5.139","0.002","90","","90","","90","","5424","5","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C256 H384 O32 -","16","1","","Clark, J Stephen; Guérot, Carine; Wilson, Claire; Blake, Alexander J","Rapid synthesis of medium-ring fused polycarbocyclic systems by rearrangement of carbenoid-derived oxonium ylides.","Chemical communications (Cambridge, England)","2007","","40","4134","4136","10.1039/b709064a","","","0.71073","MoKα","","0.0559","0.0395","","","0.0876","0.0936","","","","","","0.94","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102243","38.156","0.002","50.415","0.003","15.8144","0.0008","90","","90","","90","","30421","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C70.5 H114 Br2 Fe2 Na O12 -","- C70.5 H114 Br2 Fe2 Na O12 -","- C1128 H1824 Br32 Fe32 Na16 O192 -","16","1","","Spikes, Geoffrey H; Bill, Eckhard; Weyhermüller, Thomas; Wieghardt, Karl","Unusual mixed valent FeIIIFeII complex (St = 3/2) stabilised by a reduced bulky 1,2-diketone.","Chemical communications (Cambridge, England)","2007","","42","4339","4341","10.1039/b713062g","","","0.71073","MoKα","","0.0882","0.0494","","","0.0872","0.099","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102279","22.22","0.004","28.467","0.006","9.5966","0.0019","90","","90","","90","","6070","2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H52 B8 N12 -","- C16 H52 B8 N12 -","- C128 H416 B64 N96 -","8","0.5","","Bramham, George; Charmant, Jonathan P H; Cook, Alistair J R; Norman, Nicholas C; Russell, Christopher A; Saithong, Saowanit","A new cyclic borazine species B(8)(NH)(4)(NMe(2))(8) containing a twelve-membered B(8)N(4) ring.","Chemical communications (Cambridge, England)","2007","","44","4605","4607","10.1039/b711487g","","x-ray","0.71074","MoKα","","0.0547","0.0527","","","0.1246","0.1256","","","","","","1.18","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102438","23.618","0.003","72.846","0.008","9.1","0.003","90","","90","","90","","15656","6","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","Rubidium(18-crown-6) imidobis(diphenylselenophosphinate- Se,Se')","Rubidium(18-crown-6) imidobis(diphenylselenophosphinate-Se,Se')","","- C36 H44 N O6 P2 Rb Se2 -","- C36 H44 N O6 P2 Rb Se2 -","- C576 H704 N16 O96 P32 Rb16 Se32 -","16","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.1556","0.0734","","","0.1305","0.1659","","","","","","1.026","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102439","23.534","0.002","72.099","0.005","9.043","0.002","90","","90","","90","","15344","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","Rubidium(18-crown-6) imidobis(diphenylthiophosphinate-S,S')","Rubidium(18-crown-6) imidobis(diphenylthiophosphinate-S,S')","","- C36 H44 N O6 P2 Rb S2 -","- C36 H44 N O6 P2 Rb S2 -","- C576 H704 N16 O96 P32 Rb16 S32 -","16","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.1617","0.0732","","","0.1184","0.1517","","","","","","1.04","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102532","23.68","0.004","14.653","0.002","20.072","0.003","90","","90","","90","","6964.6","1.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H15 N5 Si -","- C16 H15 N5 Si -","- C256 H240 N80 Si16 -","16","1","","Richardson, Christopher; Reed, Christopher A","Exploration of the pentacyano-cyclo-pentadienide ion, C(5)(CN)(5)(-), as a weakly coordinating anion and potential superacid conjugate base. Silylation and protonation.","Chemical communications (Cambridge, England)","2004","","6","706","707","10.1039/b316122f","","","0.71073","MoKα","","0.0547","0.0452","","","0.117","0.1288","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102923","16.5848","0.0013","30.917","0.002","13.3863","0.001","90","","90","","90","","6863.8","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","(BP2)Cu(pyr)","","","- C35 H55 B Cu N P2 -","- C35 H55 B Cu N P2 -","- C280 H440 B8 Cu8 N8 P16 -","8","0.5","","Mankad, Neal P; Peters, Jonas C","Diazoalkanes react with a bis(phosphino)borate copper(i) source to generate [Ph2BP(tBu)2]Cu(eta1-N2CR2), [Ph2BP(tBu)2]Cu(CPh2), and [Ph2BP(tBu)2]Cu-N(CPh2)(NCPh2).","Chemical communications (Cambridge, England)","2008","","9","1061","1063","10.1039/b713687k","","","0.71073","MoKα","","0.0297","0.0273","","","0.0674","0.0691","","","","","","0.973","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7102926","17.548","0.003","30.333","0.005","12.818","0.003","90","","90","","90","","6823","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","(BP2)Cu(thf)","","","- C34 H58 B Cu O P2 -","- C34 H58 B Cu O P2 -","- C272 H464 B8 Cu8 O8 P16 -","8","0.5","","Mankad, Neal P; Peters, Jonas C","Diazoalkanes react with a bis(phosphino)borate copper(i) source to generate [Ph2BP(tBu)2]Cu(eta1-N2CR2), [Ph2BP(tBu)2]Cu(CPh2), and [Ph2BP(tBu)2]Cu-N(CPh2)(NCPh2).","Chemical communications (Cambridge, England)","2008","","9","1061","1063","10.1039/b713687k","","","0.71073","MoKα","","0.0365","0.0324","","","0.0798","0.0828","","","","","","1.062","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7103042","26.306","0.005","49.555","0.009","10.7101","0.0019","90","","90","","90","","13962","4","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H36 Ag3 Cl3 N9 O12 P3 -","- C18 H36 Ag3 Cl3 N9 O12 P3 -","- C288 H576 Ag48 Cl48 N144 O192 P48 -","16","1","","Richards, Philip I; Bickley, Jamie F; Boomishankar, Ramamoorthy; Steiner, Alexander","In situ recrystallisation of a coordination polymer with hemilabile linkers.","Chemical communications (Cambridge, England)","2008","","14","1656","1658","10.1039/b718872b","","","0.71073","MoKα","","0.0393","0.0362","","","0.0861","0.0873","","","","","","0.998","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103162","28.6911","0.0019","50.103","0.003","10.062","0.0007","90","","90","","90","","14464.3","1.7","291","2","291","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H32 Cd N4 O10 S -","- C32 H32 Cd N4 O10 S -","- C512 H512 Cd16 N64 O160 S16 -","16","1","","Lin, Jian-Guo; Xu, Yan-Yan; Qiu, Ling; Zang, Shuang-Quan; Lu, Chang-Sheng; Duan, Chun-Ying; Li, Yi-Zhi; Gao, Song; Meng, Qing-Jin","Ligand-to-metal ratio controlled assembly of nanoporous metal-organic frameworks.","Chemical communications (Cambridge, England)","2008","","23","2659","2661","10.1039/b802992j","","","0.71073","MoKα","","0.0621","0.0534","","","0.1146","0.1173","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7103172","16.024","0.005","18.856","0.006","7.319","0.002","90","","90","","90","","2211.4","1.1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Cd(C4N6H3)2","Cd(C4N6H3)2","","- C8 H6 Cd N12 O0 -","- C8 H6 Cd N12 -","- C64 H48 Cd8 N96 -","8","0.5","","Zhou, Wei-Wei; Chen, Jiu-Tong; Xu, Gang; Wang, Ming-Sheng; Zou, Jian-Ping; Long, Xi-Fa; Wang, Guo-Jian; Guo, Guo-Cong; Huang, Jin-Shun","Nonlinear optical and ferroelectric properties of a 3-D Cd(II) triazolate complex with a novel (6(3))2(6(10) x 8(5)) topology.","Chemical communications (Cambridge, England)","2008","","24","2762","2764","10.1039/b801529e","","","0.71073","MoKα","","0.0147","0.0138","","","0.0352","0.0356","","","","","","1.015","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103176","18.287","0.004","58.069","0.012","9.1042","0.0018","90","","90","","90","","9668","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H36 Li N3 Si -","- C22 H36 Li N3 Si -","- C352 H576 Li16 N48 Si16 -","16","1","","Strohmann, Carsten; Däschlein, Christian","Bent phenyl groups in lithiosilanes‒crystal structures and interpretation of this unanticipated feature.","Chemical communications (Cambridge, England)","2008","","24","2791","2793","10.1039/b802211a","","","0.71073","MoKα","","0.0633","0.0561","","","0.1442","0.1488","","","","","","1.047","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103254","16.652","0.018","33.27","0.03","8.57","0.008","90","","90","","90","","4748","8","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H46 Li2 N4 -","- C18 H46 Li2 N4 -","- C144 H368 Li16 N32 -","8","0.5","","Strohmann, Carsten; Gessner, Viktoria H; Damme, A","Isopropyllithium diamine adducts: from a non symmetric aggregate to monomeric i-PrLi.(1R,2R)-N,N,N',N'-tetraethylcyclohexane-1,2-diamine.","Chemical communications (Cambridge, England)","2008","","29","3381","3383","10.1039/b804855j","","","0.71073","MoKα","","0.0814","0.0664","","","0.1598","0.1695","","","","","","1.062","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103340","16.0031","0.0011","18.874","0.002","7.3205","0.0008","90","","90","","90","","2211.1","0.4","293.15","","293.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H8 Cd N12 -","- C8 H8 Cd N12 -","- C64 H64 Cd8 N96 -","8","0.5","","Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Controlled generation of acentric and homochiral coordination compounds from a versatile asymmetric ligand 4-(1H-1,2,4-triazol-3-yl)-4H-1,2,4-triazole.","Chemical communications (Cambridge, England)","2008","","35","4159","4161","10.1039/b807320a","","","0.71073","MoKα","","0.0198","0.0188","","","0.0464","0.047","","","","","","1.08","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103389","28.6219","0.0016","6.9589","0.0004","28.2896","0.0016","90","","90","","90","","5634.6","0.6","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C35 H27 B F2 N2 -","- C35 H27 B F2 N2 -","- C280 H216 B8 F16 N16 -","8","0.5","","Zhang, Dakui; Wen, Yugeng; Xiao, Yi; Yu, Gui; Liu, Yunqi; Qian, Xuhong","Bulky 4-tritylphenylethynyl substituted boradiazaindacene: pure red emission, relatively large Stokes shift and inhibition of self-quenching.","Chemical communications (Cambridge, England)","2008","","39","4777","4779","10.1039/b808681h","","","0.71073","MoKα","","0.0759","0.0455","","","0.1031","0.1169","","","","","","1.094","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103933","24.888","0.005","43.375","0.009","5.665","0.001","90","","90","","90","","6115.5","2.1","180","2","180","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C320 H352 N32 -","16","1","","Buswell, Marina; Fleming, Ian","The reaction of phenyldimethylsilyllithium with N-phenylpyrrolidone","Chemical Communications (Cambridge, United Kingdom)","2003","","2","202","203","10.1039/b210445h","","","0.71073","MoKα","","0.1165","0.0531","","0.2587","0.0929","","","","1.004","1.107","1.107","","","","","has coordinates","210685","2020-10-21","18:00:00",""
"7104334","15.8406","0.0005","16.1462","0.0004","40.5039","0.0014","90","","90","","90","","10359.5","0.5","173","","173","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C21 H15 F6 N3 O8 Pb S2 -","- C21 H15 F6 N3 O8 Pb S2 -","- C336 H240 F96 N48 O128 Pb16 S32 -","16","1","","Barboiu, Mihail; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie","Self-sorting of equilibrating metallosupramolecular DCLs via constitutional crystallization.","Chemical communications (Cambridge, England)","2009","34","16","2192","2194","10.1039/b900155g","","","0.71073","MoKα","","0.0386","0.0213","","0.0393","0.0367","0.0393","","","","","","0.8163","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104471","11.4066","0.0002","26.5824","0.0006","8.5029","0.0002","90","","90","","90","","2578.21","0.1","150","","150","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C7 H9 N O -","- C7 H9 N O -","- C112 H144 N16 O16 -","16","1","","Donohoe, Timothy J; Fishlock, Lisa P; Basutto, José A; Bower, John F; Procopiou, Panayiotis A; Thompson, Amber L","Synthesis of substituted pyridines and pyridazines via ring closing metathesis.","Chemical communications (Cambridge, England)","2009","34","21","3008","3010","10.1039/b904363b","","","0.71073","MoKα","","0.032","0.0308","","0.0779","0.0774","0.0779","","","","","","0.9999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104908","24.443","0.0006","110.268","0.003","15.7305","0.0004","90","","90","","90","","42398","1.9","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C102 H122 F12 N6 O24 P2 -","- C102 H122 F12 N6 O24 P2 -","- C1632 H1952 F192 N96 O384 P32 -","16","1","","Li, Ming-Jhe; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Two guest complexation modes in a cyclotriveratrylene-based molecular container.","Chemical communications (Cambridge, England)","2009","","39","5814","5816","10.1039/b906075h","","","1.54178","CuKα","","0.1689","0.1111","","","0.2548","0.2722","","","","","","1.337","","","","has coordinates,has disorder","180153","2020-10-21","18:00:00",""
"7105132","16.569","0.011","31.152","0.018","7.371","0.004","90","","90","","90","","3805","4","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","bis(1,3,4,6,7,8-hexahydropyrimido(1,2-a)pyrimidine) dichloro- di-copper(i)","bis(1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine) dichloro-di-copper(I)","","- C14 H26 Cl2 Cu2 N6 -","- C14 H26 Cl2 Cu2 N6 -","- C112 H208 Cl16 Cu16 N48 -","8","0.5","","Chiarella, Gina M; Melgarejo, Doris Y; Rozanski, Alex; Hempte, Pierre; Perez, Lisa M; Reber, Christian; Fackler, Jr, John P","A short, unsupported CuI...CuI interaction, 2.65 A, in a dinuclear guanidine chloride complex.","Chemical communications (Cambridge, England)","2009","46","1","136","138","10.1039/b918912b","","","0.71073","MoKα","","0.0516","0.0298","","","0.0544","0.0591","","","","","","0.828","","","","has coordinates,has disorder","180155","2020-10-21","18:00:00",""
"7105481","18.3002","0.0004","32.3093","0.0007","5.8892","0.0001","90","","90","","90","","3482.09","0.12","223","2","223","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H24 Si3 -","- C12 H24 Si3 -","- C96 H192 Si24 -","8","0.5","","Ugolotti, Juri; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Photochemical isomerisation of boryl-substituted silole derivatives.","Chemical communications (Cambridge, England)","2010","46","17","3016","3018","10.1039/b927221f","","","1.54178","CuKα","","0.0272","0.0271","","","0.071","0.0711","","","","","","1.064","","","","has coordinates","180158","2020-10-21","18:00:00",""
"7105523","24.784","0.005","15.75","0.005","23.149","0.005","90","0.005","90","0.005","90","0.005","9036","4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C100 H92 N4 O16 S8 -","- C100 H92 N4 O16 S8 -","- C400 H368 N16 O64 S32 -","4","0.25","","Zhang, Lingjuan; Xu, Xianxiu; Tan, Jing; Pan, Ling; Xia, Wenming; Liu, Qun","Tandem Michael addition/intramolecular isocyanide [3 + 2] cycloaddition: highly diastereoselective one pot synthesis of fused oxazolines","Chemical Communications","2010","46","19","3357","3359","10.1039/c001617a","","","0.71069","MoKα","","0.0881","0.051","","","0.0883","0.1003","","","","","","1.048","","","","has coordinates,has disorder","180159","2020-10-21","18:00:00",""
"7105647","21.3488","0.0018","66.889","0.005","10.0299","0.001","90","","90","","90","","14323","2","193","2","193","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H27 B F15 Mo N O3 -","- C30 H27 B F15 Mo N O3 -","- C480 H432 B16 F240 Mo16 N16 O48 -","16","1","","Finke, Aaron D.; Moore, Jeffrey S.","Lewis acid activation of molybdenum nitrides for alkyne metathesis.","Chemical communications (Cambridge, England)","2010","46","42","7939","7941","10.1039/c0cc03113e","","","0.71073","MoKα","","0.0718","0.0472","","","0.0785","0.0866","","","","","","0.962","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105709","17.5837","0.0011","23.2759","0.0011","18.2237","0.0009","90","","90","","90","","7458.5","0.7","293.1","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C42 H37 N2 O6 -","- C42 H36 N2 O6 -","- C336 H288 N16 O48 -","8","0.5","","Shinichiro Kamino; Yuka Horio; Seiji Komeda; Katsuhiko Minoura; Hayato Ichikawa; Jun Horigome; Asana Tatsumi; Shinya Kaji; Takako Yamaguchi; Yoshihide Usami; Shun Hirota; Shuichi Enomoto; Yoshikazu Fujita","A new class of rhodamine luminophores: design, syntheses and aggregation-induced emission enhancement (C42 H37 N2 O6)","Chem.Commun.","2010","46","","9013","","10.1039/c0cc03407j","","","0.71075","MoKα","","","0.0589","","","","0.0772","","","","","","1.232","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106142","25.807","0.005","29.405","0.006","19.637","0.004","90","","90","","90","","14902","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H30 N4 O18 Zn3 -","- C32 H30 N4 O18 Zn3 -","- C512 H480 N64 O288 Zn48 -","16","1","","Wen-Juan Ji; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Man-Cheng Hu","The first ionothermal synthesis of a 3D ferroelectric metal–organic framework with colossal dielectric constant","Chem.Commun.","2011","47","","3834","","10.1039/c0cc04890a","","","0.71073","MoKα","","0.083","0.0762","","","0.1922","0.1984","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106325","18.6771","0.0012","44.784","0.003","17.1502","0.0011","90","","90","","90","","14345","1.6","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Tetrakis[3-isoquinolinyl-5-tertbutylpyrazolido]tetrasilver(I) hydrate (3/2.7)","","- C64 H69.4 Ag4 N12 O2.7 -","- C64 H64 Ag4 N12 O2.7 -","- C512 H512 Ag32 N96 O21.6 -","8","0.5","","James J. Henkelis; Colin A. Kilner; Malcolm A. Halcrow","New Insights into the Aggregation of Silver Pyrazolides Using Sterically Hindered Bidentate Pyrazole Ligands","Chem.Commun.","2011","47","","5187","","10.1039/c1cc00054c","","","0.71073","MoKα","","0.0466","0.0382","","","0.1129","0.1193","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107859","22.011","0.005","43.742","0.009","8.1622","0.0017","90","","90","","90","","7859","3","133","2","133","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C30 H18 Fe -","- C30 H18 Fe -","- C480 H288 Fe16 -","16","1","","Berit Topolinski; Bernd M. Schmidt; Michael Kathan; Sergej I. Troyanov; Dieter Lentz","Corannulenylferrocenes: towards a 1D, non-covalent metal-organic nanowire","Chem.Commun.","2012","48","","6298","","10.1039/c2cc32275g","","","0.71073","MoKα","","0.0554","0.0429","","","0.0925","0.0978","","","","","","1.081","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7108199","47.6833","0.0012","72.663","0.003","13.6472","0.0005","90","","90","","90","","47285","3","173","2","173","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C103 H85.5 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C103 H84 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C1648 H1344 Ag32 Au96 B64 F256 N104 P96 S32 -","16","1","","Li-Qin Mo; Jian-Hua Jia; Li-jia Sun; Quan-Ming Wang","Solvent-induced intercluster rearrangements and the reversible luminescence responses in sulfide bridged gold(I)-silver(I) clusters","Chem.Commun.","2012","48","","8691","","10.1039/c2cc33446a","","","0.71073","MoKα","","0.0758","0.0499","","","0.1076","0.1125","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108406","47.6833","0.0012","72.663","0.003","13.6472","0.0005","90","","90","","90","","47285","3","173","2","173","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C103 H85.5 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C103 H84 Ag2 Au6 B4 F16 N6.5 P6 S2 -","- C1648 H1344 Ag32 Au96 B64 F256 N104 P96 S32 -","16","1","","Li Qu; Jingui Qin","A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors","Chem.Commun.","2012","48","","9965","","10.1039/c2cc33445c","","","0.71073","MoKα","","0.0758","0.0499","","","0.1076","0.1125","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108553","37.418","0.003","48.552","0.002","31.7292","0.0014","90","","90","","90","","57643","6","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C60 H102 Co2 K N6 O8 Si4 -","- C60 H90 Co2 K N6 O8 Si4 -","- C1920 H2880 Co64 K32 N192 O256 Si128 -","32","2","","Skye Fortier; Octavio Gonzalez-del Moral; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola; Kenneth G. Caulton","Probing the redox non-innocence of dinuclear, three-coordinate Co(II) nindigo complexes: not simply beta-diketiminate variants","Chem.Commun.","2012","48","","11082","","10.1039/c2cc34560a","","","0.71073","MoKα","","0.129","0.0732","","","0.1796","0.2233","","","","","","1.39","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108680","60.299","0.006","19.5214","0.0015","9.5973","0.0008","90","","90","","90","","11297.2","1.7","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H20 Cl2 S4 -","- C34 H20 Cl2 S4 -","- C544 H320 Cl32 S64 -","16","1","","Kamaljit Singh; Tarunpreet Singh Virk; Jing Zhang; Wei Xu; Daoben Zhu","Neutral tetrathia[22]annulene[2.1.2.1] based field-effect transistors: improved on/off ratio defies ring puckering","Chem.Commun.","2012","48","","12174","","10.1039/c2cc37004b","","","1.5418","CuKα","","0.0529","0.0503","","","0.1381","0.1411","","","","","","1.072","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7108756","28.8536","0.0007","27.2438","0.0007","7.57981","0.00019","90","","90","","90","","5958.3","0.3","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C13 H21 Ga N3 O6.5 -","- C13 H21 Ga N3 O6.5 -","- C208 H336 Ga16 N48 O104 -","16","1","","Bradley P. Waldron; David Parker; Carsten Burchardt; Dmitry S. Yufit; Melanie Zimny; Frank Roesch","Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68","Chem.Commun.","2013","49","","579","","10.1039/c2cc37544c","","","0.7107","MoKα","Mo","0.0338","0.0307","","","0.0657","0.0674","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108933","29.295","0.0003","46.538","0.0005","5.7943","0.0001","90","","90","","90","","7899.55","0.18","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","foldamers","","","- C17 H27 N3 O5 S -","- C17 H20 N3 O5 S -","- C272 H320 N48 O80 S16 -","16","1","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0856","0.0748","","","0.1906","0.1972","","","","","","1.157","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7109015","43.6737","0.0009","10.2287","0.0002","22.9715","0.0004","90","","90","","90","","10261.9","0.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","ml108","","","- C60 H52 N6 Ni S2 -","- C60 H52 N6 Ni S2 -","- C480 H416 N48 Ni8 S16 -","8","0.5","","Matteo Lusi; Leonard J. Barbour","Solid-vapour reactions as a post-synthetic modification tool for molecular crystals: the enclathration of benzene and toluene by Werner complexes","Chem.Commun.","2013","49","","2634","","10.1039/c3cc40521d","","","0.71073","MoKα","","0.0488","0.0386","","","0.0887","0.095","","","","","","1.035","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109113","21.6091","0.0009","42.7935","0.0014","11.5194","0.0003","90","","90","","90","","10652.3","0.6","110","2","110","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H29 F5 N P Pt -","- C30 H29 F5 N P Pt -","- C480 H464 F80 N16 P16 Pt16 -","16","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0342","0.0329","","","0.0746","0.0751","","","","","","1.045","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109853","33.536","0.007","37.345","0.008","7.4812","0.0016","90","","90","","90","","9369","3","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H6 F12 N3 Ni O5 S2 -","- C18 H6 F12 N3 Ni O5 S2 -","- C288 H96 F192 N48 Ni16 O80 S32 -","16","1","","Elisabeth M. Fatila; Rodolphe Clerac; Michael Jennings; Kathryn E. Preuss","McConnell I mechanism promotes ferromagnetic interactions between pi-stacked Ni(II)-thiazyl complexes","Chem.Commun.","2013","49","","9431","","10.1039/c3cc45605f","","","0.71073","MoKα","","0.062","0.045","","","0.0788","0.0866","","","","","","1.032","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7110103","27.546","0.011","33.029","0.013","6.766","0.003","90","","90","","90","","6156","4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H10 O2 S2 -","- C20 H10 O2 S2 -","- C320 H160 O32 S32 -","16","1","","Hiroko Yamada; Yuji Yamaguchi; Ryuta Katoh; Takao Motoyama; Tatsuya Aotake; Daiki Kuzuhara; Mitsuharu Suzuki; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Ken-ichi Nakayama","Solution-processed anthradithiophene-PCBM p-n junction photovoltaic cells fabricated by using the photoprecursor method","Chem.Commun.","2013","49","","11638","","10.1039/c3cc46178e","","","0.71075","MoKα","","0.0464","0.0448","","","0.1015","0.1028","","","","","","1.086","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110131","22.533","0.005","50.714","0.011","11.285","0.002","90","","90","","90","","12896","5","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C76 H84 N6 O4 Ti2 -","- C76 H84 N6 O4 Ti2 -","- C608 H672 N48 O32 Ti16 -","8","0.5","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1091","0.0756","","","0.1432","0.1638","","","","","","1.056","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110236","21.9192","0.0014","15.582","0.001","19.0923","0.0012","90","","90","","90","","6520.9","0.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H40 Cl2 Fe N6 O10 -","- C26 H40 Cl2 Fe N6 O10 -","- C208 H320 Cl16 Fe8 N48 O80 -","8","0.5","","Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova","H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore","Chem.Commun.","2014","50","","645","","10.1039/c3cc47632d","","","0.71073","Mo-Kα","","0.0655","0.0621","","","0.1672","0.1712","","","","","","1.039","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110246","27.876","0.003","31.252","0.004","4.0004","0.0005","90","","90","","90","","3485.1","0.7","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","oxobenzene bisdithiazolyl","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C96 H16 N32 O16 S64 -","16","1","","Joanne W. L. Wong; Aaron Mailman; Stephen M. Winter; Craig M. Robertson; Rebecca J. Holmberg; Muralee Murugesu; Paul A. Dubed; Richard T. Oakley","Supramolecular architecture, crystal structure and transport properties of the prototypal oxobenzene-bridged bisdithiazolyl radical conductor","Chem.Commun.","2014","50","","785","","10.1039/c3cc46686h","","","0.6889","Synchrotron","","0.0256","0.0235","","","0.0524","0.0533","","","","","","1.114","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110575","20.4759","0.0012","22.0944","0.0012","11.443","0.0004","90","","90","","90","","5176.8","0.5","293","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H21 N O -","- C13 H21 N O -","- C208 H336 N16 O16 -","16","1","","Berger, Daniel; Imhof, Wolfgang","One-pot synthesis of γ-lactams in a reaction cascade from α,β-unsaturated imines, CO and ethylene catalysed by Ru3(CO)12†","Chemical Communications","1999","","16","1457","","10.1039/a903266e","","","0.71073","MoKα","","0.0634","0.0562","","0.1547","0.1395","","","","1.081","1.102","1.102","","","","","has coordinates,has disorder","180219","2020-10-21","18:00:00",""
"7111116","28.7821","0.0007","12.528","0.0003","23.7374","0.0004","90","","90","","90","","8559.3","0.3","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","Fe(bipy)3[Mn(dca)3]2","Iron(II) tris(2,2'-bipyridine) Bis(manganese(II) tris(dicyanamide))","","- C42 H24 Fe Mn2 N24 -","- C42 H24 Fe Mn2 N24 -","- C336 H192 Fe8 Mn16 N192 -","8","0.5","","Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.","Anionic metal dicyanamide networks with paramagnetic counter-cations","Chemical Communications","2000","","23","2331","","10.1039/b007080g","","","0.71073","MoKα","","0.0622","0.0424","","","0.0654","0.0699","","","","","","1.012","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111117","28.8799","0.0006","12.4011","0.0003","23.514","0.0003","90","","90","","90","","8421.4","0.3","123","2","123","2","","","","","","","","4","F d d 2","F 2 -2d","43","Fe(bipy)3[Fe(dca)3]2","Iron(II) tris(2,2'-bipyridine) Bis(iron(II) tris(dicyanamide))","","- C42 H24 Fe3 N24 -","- C42 H24 Fe3 N24 -","- C336 H192 Fe24 N192 -","8","0.5","","Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.","Anionic metal dicyanamide networks with paramagnetic counter-cations","Chemical Communications","2000","","23","2331","","10.1039/b007080g","","","0.71073","MoKα","","0.0382","0.029","","","0.0583","0.0608","","","","","","1.043","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111118","28.8625","0.0005","12.5231","0.0002","23.9239","0.0003","90","","90","","90","","8647.2","0.2","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","Ni(bipy)3[Mn(dca)3]2","Nickel(II) tris(2,2'-bipyridine) Bis(manganese(II) tris(dicyanamide))","","- C42 H24 Mn2 N24 Ni -","- C42 H24 Mn2 N24 Ni -","- C336 H192 Mn16 N192 Ni8 -","8","0.5","","Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.","Anionic metal dicyanamide networks with paramagnetic counter-cations","Chemical Communications","2000","","23","2331","","10.1039/b007080g","","","0.71073","MoKα","","0.033","0.0259","","","0.0541","0.0564","","","","","","1.024","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111166","18.448","0.0002","28.738","0.0004","9.6088","0.0008","90","","90","","90","","5094.2","0.4","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H48 F12 N4 O10 -","- C60 H48 F12 N4 O10 -","- C240 H192 F48 N16 O40 -","4","0.25","","Butler, Douglas N.; Shang, Muhong; Warrener, Ronald N.","A molecular ‘hamburger’: bonded benzene in a bun","Chemical Communications","2001","","2","159","","10.1039/b008178g","","","0.71073","MoKα","","0.0459","0.033","","","0.0762","0.0818","","","","","","1.036","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111216","29.947","0.002","48.76","0.004","10.9022","0.0009","90","","90","","90","","15920","2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","02src088","","","- C42.5 H53 N5 O -","- C42.5 H53 N5 O -","- C680 H848 N80 O16 -","16","1","","Danopoulos, Andreas A.; Winston, Scott; Motherwell, William B.","Stable N-functionalised ‘pincer’ bis carbene ligands and their ruthenium complexes; synthesis and catalytic studies","Chemical Communications","2002","","13","1376","","10.1039/b202814j","","","0.71073","MoKα","","0.1287","0.1115","","","0.2992","0.3259","","","","","","1.337","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111277","31.3272","0.0006","33.194","0.0007","15.9032","0.0004","90","","90","","90","","16537.3","0.6","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C67 H68 Mn6 N16 -","- C67 H68 Mn6 N16 -","- C536 H544 Mn48 N128 -","8","0.5","","Alvarez, Carmen Soria; Bond, Andrew D.; Cave, Dale; Mosquera, Marta E. G.; Harron, Eilís A.; Layfield, Richard A.; McPartlin, Mary; Rawson, Jeremy M.; Wood, Paul T.; Wright, Dominic S.","Syntheses and magnetic properties of hexanuclear [Cp2Mn3(L1)4]2 and octanuclear [Mn8(L2)12(μ4-O)2] (L1 = 2-HNC5H5N, L2 = 2-NH-3-Br-5-MeC5H3N, Cp = C5H5)","Chemical Communications","2002","","24","2980","2981","10.1039/b209496g","","","0.71073","MoKα","","0.0757","0.0587","","","0.1648","0.1778","","","","","","1.081","","","","has coordinates,has disorder","180226","2020-10-21","18:00:00",""
"7111611","14.95","0.0002","35.3082","0.0004","11.6471","0.0001","90","","90","","90","","6148.01","0.12","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H39 Cu2 N5 -","- C29 H39 Cu2 N5 -","- C232 H312 Cu16 N40 -","8","0.5","","Ley, Amanda N.; Dunaway, Lars E.; Brewster, Timothy P.; Dembo, Matthew D.; Harris, T. David; Baril-Robert, François; Li, Xiaobo; Patterson, Howard H.; Pike, Robert D.","Reversible luminescent reaction of amines with copper(i) cyanide","Chemical Communications","2010","46","25","4565","4567","10.1039/c002351e","","","1.54178","CuKα","","0.0325","0.0311","","","0.0916","0.0934","","","","","","0.942","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7112558","39.761","0.004","30.556","0.003","5.9332","0.0005","90","","90","","90","","7208.5","1.2","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C23 H25 N O -","- C23 H25 N O -","- C368 H400 N16 O16 -","16","1","","Unkelbach, Christian; Rosenbaum, Hannah S.; Strohmann, Carsten","Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion.","Chemical communications (Cambridge, England)","2012","48","86","10612","10614","10.1039/c2cc35888c","","","0.71073","MoKα","","0.0881","0.0375","","","0.0344","0.0367","","","","","","0.843","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112581","32.4358","0.0019","34.6","0.002","9.8268","0.0005","90","","90","","90","","11028.4","1.1","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H31 Cr F3 O5 -","- C30 H31 Cr F3 O5 -","- C480 H496 Cr16 F48 O80 -","16","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.0545","0.0385","","","0.0781","0.0836","","","","","","1.039","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112673","27.27","0.008","41.838","0.015","9.362","0.002","90","","90","","90","","10681","5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H32 Cr0.5 N4 P2 -","- C30 H32 Cr0.5 N4 P2 -","- C480 H512 Cr8 N64 P32 -","16","1","","Mock, Michael T.; Chen, Shentan; Rousseau, Roger; O'Hagan, Molly J; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris","A rare terminal dinitrogen complex of chromium.","Chemical communications (Cambridge, England)","2011","47","44","12212","12214","10.1039/c1cc15430c","","","0.71073","MoKα","","0.0936","0.0516","","","0.0967","0.1113","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112675","27.3861","0.0014","41.872","0.002","9.2575","0.0005","90","","90","","90","","10615.7","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H32 Cr0.5 N2 O P2 -","- C31 H32 Cr0.5 N2 O P2 -","- C496 H512 Cr8 N32 O16 P32 -","16","1","","Mock, Michael T.; Chen, Shentan; Rousseau, Roger; O'Hagan, Molly J; Dougherty, William G.; Kassel, W. Scott; DuBois, Daniel L.; Bullock, R. Morris","A rare terminal dinitrogen complex of chromium.","Chemical communications (Cambridge, England)","2011","47","44","12212","12214","10.1039/c1cc15430c","","","0.71073","MoKα","","0.11","0.054","","","0.0833","0.0981","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113376","27.328","0.006","32.125","0.006","18.424","0.004","90","","90","","90","","16175","6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H32 Cl4 Fe5 N O33 -","- C12 Cl4 Fe5 N O33 -","- C192 Cl64 Fe80 N16 O528 -","16","1","","Armentano, Donatella; De Munno, Giovanni; Mastropietro, Teresa F.; Julve, Miguel; Lloret, Francesc","A novel supramolecular assembly in an iron(iii) compound exhibiting magnetic ordering at 70 KElectronic supplementary information (ESI) available: Thermal dependence of ?MT under an applied field of 50 Oe and of the in-phase and out-phase components of the ac susceptibility of 2 at 100 Hz in zero applied static field and under an oscillating field of 1 Oe (Fig. S1 and S2); hysteresis loop at 2.0 K between �5 T (Fig. S3). See http://www.rsc.org/suppdata/cc/b4/b402055c/","Chemical Communications","2004","","10","1160","","10.1039/b402055c","","","0.71073","MoKα","","0.073","0.0663","","","0.2052","0.212","","","","","","1.083","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7114461","22.8346","0.0014","58.461","0.003","8.089","0.0005","90","","90","","90","","10798.3","1.1","193","2","193","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C17 H36 Cl3 F3 N3 O3 P S -","- C17 H36 Cl3 F3 N3 O3 P S -","- C272 H576 Cl48 F48 N48 O48 P16 S16 -","16","1","","Merceron, Nathalie; Baceiredo, Antoine; Gornitzka, Heinz; Bertrand, Guy","C-Phosphanyl-C-chloroiminium salts as electrophilic carbene synthetic equivalents","Chemical Communications","2002","","19","2250","","10.1039/b206641f","","","0.71073","MoKα","","0.0481","0.0399","","","0.096","0.1","","","","","","1.014","","","","has coordinates,has disorder","180258","2020-10-21","18:00:00",""
"7114626","21.494","0.004","36.481","0.007","7.28","0.0013","90","","90","","90","","5708.4","1.8","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H34 N4 O4 Zn -","- C34 H34 N4 O4 Zn -","- C272 H272 N32 O32 Zn8 -","8","0.5","","Jie Zhang; Jianming Geng; Guiming Zheng; Jingcao Dai; Zhiyong Fu","Highly stable photoresponsive complex framework formation involves unusual selective hydrogenation of a pyridine derivative","Chem.Commun.","2014","50","","7326","","10.1039/C4CC02584A","","","0.71073","MoKα","","0.045","0.0376","","","0.0847","0.0894","","","","","","1.058","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114627","21.497","0.004","36.708","0.007","7.2655","0.0014","90","","90","","90","","5733.3","1.9","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H34 N4 O4 Zn -","- C34 H34 N4 O4 Zn -","- C272 H272 N32 O32 Zn8 -","8","0.5","","Jie Zhang; Jianming Geng; Guiming Zheng; Jingcao Dai; Zhiyong Fu","Highly stable photoresponsive complex framework formation involves unusual selective hydrogenation of a pyridine derivative","Chem.Commun.","2014","50","","7326","","10.1039/C4CC02584A","","","0.71073","MoKα","","0.0518","0.0388","","","0.0825","0.0885","","","","","","1.088","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114780","31.5201","0.0007","39.6365","0.001","13.9957","0.0004","90","","90","","90","","17485.5","0.8","150","2","150","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C43 H43 Ag Cl2 F3 N2 O3 P2 -","- C43 H43 Ag Cl2 F3 N2 O3 P2 -","- C688 H688 Ag16 Cl32 F48 N32 O48 P32 -","16","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Ring, polymer and network structures in silver(i) complexes with dipyridyl and diphosphine ligands","Chemical Communications","2001","","16","1508","","10.1039/b104857k","","","0.71073","MoKα","","0.109","0.0699","","","0.1961","0.2324","","","","","","1.038","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114792","17.491","0.001","7.748","0.001","15.588","0.0009","90","","90","","90","","2112.5","0.3","123.2","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H9 N -","- C15 H9 N -","- C120 H72 N8 -","8","0.5","","Ohkita, Masakazu; Suzuki, Takanori; Tsuji, Takashi; Nakatani, Keitaro","Crystal engineering using very short and linear C(sp)‒H⋯N hydrogen bonds: formation of head-to-tail straight tapes and their assembly into nonlinear optical polar crystals","Chemical Communications","2001","","16","1454","","10.1039/b103689k","","","0.7107","MoKα","","","0.0544","","","","0.0715","","","","","","2.319","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114841","28.057","0.004","11.363","0.002","11.3253","0.0017","90","","90","","90","","3610.6","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acetylacetonato)(4-Dimethylamino-pyridine)Zinc(II)","","- C8.5 H12 N O2 Zn0.5 -","- C8.5 H12 N O2 Zn0.5 -","- C136 H192 N16 O32 Zn8 -","16","1","","Anthony, S. Philip; Radhakrishnan, T. P.","Perfectly polar assembly of molecular dipoles in crystals of Zn(ii)(DMAP)(acac)2: a case of self-poling","Chemical Communications","2001","","10","931","","10.1039/b101248g","","","0.71073","MoKα","","0.0309","0.0257","","","0.0626","0.0648","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115080","22.6131","0.0001","23.0681","0.0003","30.8375","0.0004","90","","90","","90","","16086.1","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Cu4 I2 N6 S4 W -","- C30 H30 Cu4 I2 N6 S4 W -","- C480 H480 Cu64 I32 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling","A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters","Chemical Communications","2001","","9","843","","10.1039/b100395j","","","0.71073","MoKα","","0.0454","0.0352","","","0.0761","0.0811","","","","","","1.097","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115081","22.5897","0.0001","22.8053","0.0003","30.1995","0.0003","90","","90","","90","","15557.7","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 N6 S4 W -","- C30 H30 Br2 Cu4 N6 S4 W -","- C480 H480 Br32 Cu64 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling","A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters","Chemical Communications","2001","","9","843","","10.1039/b100395j","","","0.71073","MoKα","","0.0747","0.0432","","","0.0977","0.1114","","","","","","1.008","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115082","22.5496","0.0001","22.7445","0.0003","30.2498","0.0004","90","","90","","90","","15514.5","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C480 H480 Br32 Cu64 Mo16 N96 S64 -","16","1","","Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling","A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters","Chemical Communications","2001","","9","843","","10.1039/b100395j","","","0.71073","MoKα","","0.0827","0.0479","","","0.0966","0.1099","","","","","","1.042","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115111","17.024","0.006","29.192","0.007","11.183","0.004","90","","90","","90","","5558","3","296.2","","296.2","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C256 H224 N32 O32 -","16","1","","Sakamoto, Masami; Kinbara, Ai; Yagi, Tadao; Mino, Takashi; Fujita, Tsutomu; Yamaguchi, Kentaro","A novel photocycloaddition of substituted pyridines with benzofuran","Chemical Communications","2000","","13","1201","","10.1039/b002396p","","","1.5418","CuKα","","","0.0584","","","0.0658","","","","","3.193","3.193","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115273","18.1979","0.0016","22.599","0.002","40.496","0.005","90","","90","","90","","16654","3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","Twisted Basket Mn4","","","- C88 H84 Mn4 N16 -","- C68 H64 Mn4 N12 -","- C544 H512 Mn32 N96 -","8","0.5","","Michael R. Gau; Clifton R. Hamilton; Michael J. Zdilla","Preparation of a 'twisted basket'Mn4N8 cluster: a two-hydrogen-atom reduced analogue of the Mn4N8 pinned butterfly","Chem.Commun.","2014","50","","7780","","10.1039/C4CC02872D","","","0.71073","MoKα","","0.045","0.0379","","","0.099","0.1031","","","","","","1.052","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115374","41.923","0.005","11.1","0.005","19.335","0.005","90","0.005","90","0.005","90","0.005","8997","5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","DTDA","","","- C26 H22 N2.5 O2 -","- C26 H22 N2.5 O2 -","- C416 H352 N40 O32 -","16","1","","K. C. Gowri Sreedevi; Ajesh P. Thomas; K. H. Aparna; Renuka Pradhan; M. L. P. Reddy; U. Lourderaj; A. Srinivasan","Photoenolization via excited state double proton transfer induces 'turn on' fluorescence in diformyl diaryl dipyrromethane","Chem.Commun.","2014","50","","8667","","10.1039/C4cc03668A","","","0.71073","MoKα","","0.0509","0.0421","","","0.1137","0.1207","","","","","","1.053","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115375","33.493","0.005","53.707","0.008","22.036","0.003","90","","90","","90","","39639","10","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C63 H69 In3 N9 O30.5 -","- C46 H18 In3 O22.5 -","- C736 H288 In48 O360 -","16","1","","Dongmei Wang; Tingting Zhao; Yu Cao; Shuo Yao; Guanghua Li; Qisheng Huo; Yunling Liu","High performance gas adsorption and separation of natural gas in two microporous metal-organic frameworks with ternary building units","Chem.Commun.","2014","50","","8648","","10.1039/C4cc03729D","","","0.71073","MoKα","","0.0737","0.0603","","","0.1676","0.1742","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115812","38.6451","0.0016","18.5006","0.0007","8.3788","0.0003","90","","90","","90","","5990.5","0.4","290","2","290","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C288 H240 F48 O16 -","16","1","","Jun Xu; Yun-Long Wang; Tian-Jun Gong; Bin Xiao; Yao Fu","Copper-catalyzed endo-type trifluoromethylarylation of alkynes","Chem.Commun.","2014","50","","12915","","10.1039/C4cc05692B","","","1.54184","CuKα","","0.0555","0.0523","","","0.1488","0.1535","","","","","","1.055","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7116353","8.487","0.005","34.829","0.005","52.441","0.005","90","0.005","90","0.005","90","0.005","15501","10","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Tb-BCB","","- C33 H23.5 N O10.75 Tb -","- C33 H22 N O10.75 Tb -","- C528 H352 N16 O172 Tb16 -","16","1","","Zhiyong Guo; Xuezhi Song; Huaping Lei; Hailong Wang; Shengqun Su; Hui Xu; Guodong Qian; Hongjie Zhang; Banglin Chen","A ketone functionalized luminescent terbium metal-organic framework for sensing of small molecules","Chem.Commun.","2015","51","","376","","10.1039/C4CC06729K","","","0.71069","MoKα","","0.1071","0.0591","","","0.1413","0.1688","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116494","20.642","0.012","78.16","0.05","8.624","0.005","90","","90","","90","","13914","14","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C60 H50 N2 O10 -","- C60 H50 N2 O10 -","- C480 H400 N16 O80 -","8","0.5","","Zhichao Hu; Guangxi Huang; William P. Lustig; Fangming Wang; Hao Wang; Simon J. Teat; Debasis Banerjee; Deqing Zhang; Jing Li","Achieving exceptionally high luminescence quantum efficiency by immobilizing an AIE molecular chromophore into a metal-organic framework","Chem.Commun.","2015","51","","3045","","10.1039/C4cc07642G","","","0.71075","MoKα","","0.1096","0.0971","","","0.2908","0.3052","","","","","","1.067","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116529","43.425","0.003","43.548","0.003","25.625","0.002","90","","90","","90","","48459","6","296","2","296","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C26 H126 Cu6 Er2 N24 O97 Si2 W22 -","- C26 H96 Cu6 Er2 N24 O92 Si2 W22 -","- C416 H1536 Cu96 Er32 N384 O1472 Si32 W352 -","16","1","","Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun","Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions","Chem.Commun.","2015","51","","3336","","10.1039/C4cc09569C","","","0.71073","MoKα","","0.0647","0.0468","","","0.1039","0.1139","","","","","","1.028","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116598","22.7551","0.0003","54.882","0.001","11.6412","0.0002","90","","90","","90","","14538.1","0.4","140","2","140","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C36.5 H25 Cl3 F6 N3 O3 P Re -","- C36.5 H25 Cl3 F6 N3 O3 P Re -","- C584 H400 Cl48 F96 N48 O48 P16 Re16 -","16","1","","Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne","enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3754","3757","10.1039/c5cc00453e","","","0.71073","MoKα","","0.0373","0.032","","","0.0775","0.079","","","","","","0.937","","","","has coordinates,has disorder","210896","2020-10-21","18:00:00",""
"7117088","24.748","0.005","32.354","0.005","21.712","0.005","90","0.005","90","0.005","90","0.005","17385","6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H22 Cu4 N2 O18 S2 -","- C22 H14 Cu4 N2 O18 S2 -","- C352 H224 Cu64 N32 O288 S32 -","16","1","","Xing; Meng,ab; Shu-Yan Song; Xue-Zhi Song; Min Zhu; Shu-Na Zhao; Lan-Lan Wu; Hong-Jie Zhang","A tetranuclear copper cluster-based MOF with sulfonate-carboxylate ligands exhibiting high proton conduction properties","Chem.Commun.","2015","51","","8150","","10.1039/C5cc01732G","","","0.71069","MoKα","","0.1028","0.0658","","","0.1737","0.1902","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7117159","18.421","0.003","7.6185","0.0014","17.387","0.003","90","","90","","90","","2440.1","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H8 I N -","- C15 H8 I N -","- C120 H64 I8 N8 -","8","0.5","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.0503","0.0406","","","0.0973","0.1008","","","","","","1.256","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117162","17.893","0.004","7.5409","0.0014","17.168","0.003","90","","90","","90","","2316.5","0.8","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H8 Br N -","- C15 H8 Br N -","- C120 H64 Br8 N8 -","8","0.5","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.0402","0.0314","","","0.076","0.0782","","","","","","1.297","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117167","14.6766","0.0008","18.8388","0.0014","11.8862","0.0007","90","","90","","90","","3286.4","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Benzimidazolium sulfate","","","- C14 H14 N4 O4 S -","- C14 H14 N4 O4 S -","- C112 H112 N32 O32 S8 -","8","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0325","0.0308","","","0.0819","0.0828","","","","","","1.069","","","","has coordinates","136594","2020-10-21","18:00:00",""
"7117368","21.0171","0.0008","49.949","0.003","7.7045","0.0003","90","","90","","90","","8088.1","0.7","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H27 Fe N3 -","- C24 H27 Fe N3 -","- C384 H432 Fe16 N48 -","16","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71073","MoKα","","0.0565","0.039","","","0.0603","0.0635","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118111","29.627","0.01","36.79","0.012","5.865","0.002","90","","90","","90","","6393","4","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C336 H256 N32 -","16","1","","Sayani Mukherjee; P. S. Salini; A. Srinivasan; S Peruncheralathan","AIEE phenomenon: tetraaryl vs. triaryl pyrazoles","Chem.Commun.","2015","51","","17148","","10.1039/C5cc05973A","","","0.71073","MoKα","","0.0557","0.0401","","","0.0907","0.0992","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118377","14.4211","0.0013","12.1181","0.0008","14.0692","0.0008","90","","90","","90","","2458.7","0.3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Guanidinium)zincsulfite","","- C2 H12 N6 O6 S2 Zn -","- C2 H12 N6 O6 S2 Zn -","- C16 H96 N48 O48 S16 Zn8 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","The first organically templated open-framework metal-sulfites with layered and three-dimensional diamondoid structures.","Chemical communications (Cambridge, England)","2016","52","6","1282","1285","10.1039/c5cc07874a","","","0.71073","MoKα","","0.0531","0.038","","","0.0669","0.0723","","","","","","1.029","","","","has coordinates","173631","2020-10-21","18:00:00",""
"7118493","35.203","0.006","55.389","0.009","12.2274","0.0019","90","","90","","90","","23842","7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C98 H14 F10 O4 -","- C98 H14 F10 O4 -","- C1568 H224 F160 O64 -","16","1","","Reddy, Baddigam Kiran; Gadekar, Santosh C.; Anand, Venkataramanarao G.","The synthesis and characterization of the meso-meso linked antiaromatic tetraoxa isophlorin dimer.","Chemical communications (Cambridge, England)","2016","52","14","3007","3009","10.1039/c5cc10370c","","","0.71073","MoKα","","0.1225","0.0678","","","0.1396","0.1573","","","","","","0.971","","","","has coordinates","177693","2020-10-21","18:00:00",""
"7118513","26.587","0.003","40.68","0.004","6.9773","0.0007","90","","90","","90","","7546.4","1.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H19 Cl N2 Pt -","- C23 H19 Cl N2 Pt -","- C368 H304 Cl16 N32 Pt16 -","16","1","","Juliá, Fabio; Bautista, Delia; González-Herrero, Pablo","Developing strongly luminescent platinum(iv) complexes: facile synthesis of bis-cyclometalated neutral emitters.","Chemical communications (Cambridge, England)","2016","52","8","1657","1660","10.1039/c5cc09566b","","","0.71073","MoKα","","0.0313","0.0233","","","0.0357","0.037","","","","","","1.059","","","","has coordinates","174642","2020-10-21","18:00:00",""
"7119641","29.7613","0.001","18.2178","0.0006","10.1451","0.0003","90","","90","","90","","5500.5","0.3","99.95","0.1","99.95","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H22 Cl6 Sb -","- C30 H22 Cl6 Sb -","- C240 H176 Cl48 Sb8 -","8","0.5","","Ivanov, Maxim V.; Thakur, Khushabu; Bhatnagar, Anshul; Rathore, Rajendra","Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization.","Chemical communications (Cambridge, England)","2017","53","18","2748","2751","10.1039/c6cc10307c","","x-ray","1.54184","CuKα","","0.0418","0.0389","","","0.0943","0.0966","","","","","","1.046","","","","has coordinates","193712","2020-10-21","18:00:00",""
"7120662","57.2329","0.0015","18.4351","0.0006","38.9112","0.0011","90","","90","","90","","41055","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C64 H106 As Na O12 W -","- C64 H106 As Na O12 W -","- C1536 H2544 As24 Na24 O288 W24 -","24","1.5","","Cummins, Christopher; Transue, Wesley J.; Joost, Maximilian","Terminal tungsten pnictide complex formation through pnictaethynolate decarbonylation","Chem. Commun.","2017","","","","","10.1039/C7CC06841G","","","0.71073","MoKα","","0.0537","0.0332","","","0.0662","0.0764","","","","","","1.108","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7121607","12.7887","0.0015","38.195","0.0019","10.823","0.0015","90","","90","","90","","5286.7","1","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H13 N -","- C18 H13 N -","- C288 H208 N16 -","16","1","","Zhang, Kai; Sun, Qikun; Zhang, Zhenzhen; Tang, Linagliang; Xie, Zongliang; Chi, Zhenguo; Xue, Shanfeng; Zhang, Haichang; Yang, Wenjun","Touch-sensitive mechanoluminescence crystals comprising a simple purely organic molecule emit bright blue fluorescence regardless of crystallization methods.","Chemical communications (Cambridge, England)","2018","54","41","5225","5228","10.1039/c8cc02513d","","","0.71073","MoKα","","0.1072","0.0427","","","0.0544","0.0633","","","","","","0.982","","","","has coordinates","228075","2020-10-21","18:00:00",""
"7121922","12.7887","0.0015","38.195","0.0019","10.823","0.0015","90","","90","","90","","5286.7","1","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H13 N -","- C18 H13 N -","- C288 H208 N16 -","16","1","","Sun, Qikun; Zhang, Kai; Zhang, Zhenzhen; Tang, Linagliang; Xie, Zongliang; Chi, Zhenguo; Xue, Shanfeng; Zhang, Haichang; Yang, Wenjun","A simple and versatile strategy for realizing bright multicolor mechanoluminescence.","Chemical communications (Cambridge, England)","2018","54","59","8206","8209","10.1039/c8cc04358b","","","0.71073","MoKα","","0.1072","0.0427","","","0.0544","0.0633","","","","","","0.982","","","","has coordinates","228549","2020-10-21","18:00:00",""
"7121965","38.2117","0.0007","18.5754","0.0005","9.3073","0.0003","90","","90","","90","","6606.3","0.3","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H11 Br F5 I O -","- C15 H11 Br F5 I O -","- C240 H176 Br16 F80 I16 O16 -","16","1","","Gruber, Stefan; Ametamey, Simon M.; Schibli, Roger","Unexpected reactivity of cyclic perfluorinated iodanes with electrophiles.","Chemical communications (Cambridge, England)","2018","54","65","8999","9002","10.1039/c8cc04558e","","x-ray","0.71073","MoKα","","0.0496","0.0359","","","0.0861","0.0906","","","","","","1.022","","","","has coordinates","228540","2020-10-21","18:00:00",""
"7122091","57.215","0.01","23.058","0.003","5.6571","0.0009","90","","90","","90","","7463","2","150.01","0.1","150.01","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H19 F3 O3 S Se -","- C18 H19 F3 O3 S Se -","- C288 H304 F48 O48 S16 Se16 -","16","1","","Ghiazza, Clément; Khrouz, Lhoussain; Monnereau, Cyrille; Billard, Thierry; Tlili, Anis","Visible-light promoted fluoroalkylselenolation: toward the reactivity of unsaturated compounds.","Chemical communications (Cambridge, England)","2018","54","71","9909","9912","10.1039/c8cc05256e","","x-ray","0.71073","MoKα","","0.0959","0.0749","","0.1146","0.1001","0.1146","","","","","","0.9726","","","","has coordinates,has disorder","228276","2020-10-21","18:00:00",""
"7122865","35.6477","0.0003","36.903","0.0003","12.0968","0.0001","90","","90","","90","","15913.4","0.2","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37.25 H22.25 B Cl3.75 F15 P Si -","- C37.25 H22.25 B Cl3.75 F15 P Si -","- C596 H356 B16 Cl60 F240 P16 Si16 -","16","1","","Huang, Yanting; Wang, Xiaoping; Li, Yan; Yang, Ming-Chung; Su, Ming-Der; Zhu, Hongping","A self-hydrosilylation of phosphanylhydrosilylalkynes promoted by B(C6F5)3? An experimental and mechanistic study","Chemical Communications","2019","","","","","10.1039/C8CC09022J","","","1.54178","CuKα","","0.0435","0.0428","","","0.1232","0.1242","","","","","","1.065","","","","has coordinates,has disorder","213170","2020-10-21","18:00:00",""
"7123298","36.666","0.004","16.9718","0.0019","9.1422","0.0008","90","","90","","90","","5689.1","1","294.37","0.1","294.37","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","5-bromo-N-(tert-butyl)-2-(pyridin-2-yl)aniline","","- C15 H17 Br N2 -","- C15 H17 Br N2 -","- C240 H272 Br16 N32 -","16","1","","Gou, Xue-Ya; Li, Yuke; Wang, Xin-Gang; Liu, Hong-Chao; Zhang, Bo-Sheng; Zhao, Jiahui; Zhou, Zhao-Zhao; Liang, Yong-Min","Ruthenium-catalyzed ortho-selective CAr-H amination of heteroaryl arenes with di-tert-butyldiaziridinone","Chemical Communications","2019","","","","","10.1039/C9CC02499A","","","0.71","MoKα","","0.0749","0.0545","","","0.1221","0.1349","","","","","","1.003","","","","has coordinates","214602","2020-10-21","18:00:00",""
"7123670","23.3812","0.0016","37.1191","0.0018","7.722","0.0005","90","","90","","90","","6701.8","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C336 H240 N48 O48 -","16","1","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0521","0.0419","","","0.0972","0.1046","","","","","","1.1","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123781","25.124","0.004","35.336","0.006","7.0952","0.0013","90","","90","","90","","6299","1.9","150","","150","","","","","","","","synthesis as described","7","F d d 2","F 2 -2d","43","","","","- C14 H16 Cl F Fe I N -","- C14 H16 Cl F Fe I N -","- C224 H256 Cl16 F16 Fe16 I16 N16 -","16","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0211","0.0207","","","0.0485","0.0487","","","","","","1.106","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7124292","20.886","0.002","21.28","0.003","3.6073","0.0004","90","","90","","90","","1603.3","0.3","101","2","101","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C80 H48 O32 -","8","0.5","","Giese, Steven; Buzsaki, Daniel; Nyulaszi, Laszlo; Muller, Christian","Four Consecutive Reactions in one Pot: Cascade Formation of an Unprecedented Triphosphatricyclo[3.2.1.02,7]oct-3-ene","Chemical Communications","2019","","","","","10.1039/C9CC07462G","","","0.71073","MoKα","","0.0315","0.0279","","","0.0697","0.0727","","","","","","1.119","","","","has coordinates","219225","2020-10-21","18:00:00",""
"7124370","46.597","0.003","46.046","0.007","14.9947","0.0015","90","","90","","90","","32173","6","125","0.1","125","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C66 H75.2 N31 O29.6 Zn0.5 -","- C66 H75.2 N31 O29.6 Zn0.5 -","- C1056 H1203.2 N496 O473.6 Zn8 -","16","1","","Yang, Xue; Giorgi, Michel; Karoui, Hakim; Gigmes, Didier; Hornebecq, Virginie; Ouari, Olivier; Kermagoret, Anthony; Bardelang, David","A single-crystal-to-single-crystal transformation affording photochromic 3D MORF crystals","Chemical Communications","2019","","","","","10.1039/C9CC07121K","","x-ray","1.54184","CuKα","","0.1469","0.1272","","","0.3584","0.3893","","","","","","1.36","","","","has coordinates,has disorder","219463","2020-10-21","18:00:00",""
"7124467","18.5763","0.001","40.241","0.002","5.6042","0.0003","90","","90","","90","","4189.3","0.4","289","2","289","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H16 F4 -","- C26 H16 F4 -","- C208 H128 F32 -","8","0.5","","Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng","Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism","Chemical Communications","2019","","","","","10.1039/C9CC07045A","","","0.71073","MoKα","","0.0494","0.0396","","","0.0955","0.1034","","","","","","1.057","","","","has coordinates","227685","2020-10-21","18:00:00",""
"7124543","20.25","0.003","21.622","0.003","15.041","0.002","90","","90","","90","","6585.6","1.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C272 H272 N16 O80 S16 -","16","1","","Fan, Huaqiang; Wan, Yi; Pan, Peng; Cai, Wenbin; Liu, Shihui; Liu, Chuanxu; Zhang, Yongqiang","A cascade approach to 3D cyclic carbamates via an ionic decarboxylative functionalization of olefinic oxamic acids.","Chemical communications (Cambridge, England)","2019","56","1","86","89","10.1039/c9cc07709j","","","0.71073","MoKα","","0.0697","0.0468","","","0.0937","0.1023","","","","","","0.99","","","","has coordinates","247569","2020-10-21","18:00:00",""
"7125130","18.47","0.0018","31.893","0.003","10.3482","0.001","90","","90","","90","","6095.7","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 B I P2 Pd -","- C36 H28 B I P2 Pd -","- C288 H224 B8 I8 P16 Pd8 -","8","0.5","","Schuhknecht, Danny; Ritter, Florian; Tauchert, Michael E.","Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site.","Chemical communications (Cambridge, England)","2016","52","79","11823","11826","10.1039/c6cc07079e","","","0.71073","MoKα","","0.0334","0.0308","","","0.0635","0.0644","","","","","","0.981","","","","has coordinates","234540","2020-10-21","18:00:00",""
"7126124","38.272","0.003","12.8163","0.0008","10.858","0.001","90","","90","","90","","5325.9","0.7","293","2","293.15","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H13 N -","- C18 H13 N -","- C288 H208 N16 -","16","1","","Liu, Xiaobing; Sheng, Heyun; Zhou, Yao; Song, Qiuling","Palladium-catalyzed C-H bond activation for the assembly of N-aryl carbazoles with aromatic amines as nitrogen sources.","Chemical communications (Cambridge, England)","2020","56","11","1665","1668","10.1039/c9cc09493h","","x-ray","0.71073","MoKα","","0.0924","0.0508","","","0.0918","0.1077","","","","","","1.036","","","","has coordinates","248740","2020-10-21","18:00:00",""
"7126515","16.402","0.005","47.39","0.013","9.844","0.003","90","","90","","90","","7652","4","273","","273","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C17 H13 As Au Cl3 N2 -","- C17 H13 As Au Cl3 N2 -","- C272 H208 As16 Au16 Cl48 N32 -","16","1","","Fujii, Toshiki; Tanaka, Susumu; Hayashi, Shotaro; Imoto, Hiroaki; Naka, Kensuke","Dipyridinoarsole: a new class of stable and modifiable heteroatom-bridged bipyridines.","Chemical communications (Cambridge, England)","2020","56","45","6035","6038","10.1039/d0cc02389b","","","0.71075","MoKα","","0.0416","0.0384","","","0.0958","0.0984","","","","","","1.02","","","","has coordinates","253827","2020-10-21","18:00:00",""
"7127154","18.4614","0.0006","34.6525","0.001","11.8617","0.0004","90","","90","","90","","7588.3","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H50 B2 O2 Si4 -","- C32 H50 B2 O2 Si4 -","- C256 H400 B16 O16 Si32 -","8","0.5","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","0.71073","MoKα","","0.0373","0.0332","","","0.0802","0.0828","","","","","","1.059","","","","has coordinates","260619","2021-01-07","04:35:39",""
"7128239","22.889","0.003","38.418","0.006","10.5749","0.0015","90","","90","","90","","9299","2","98","2","98","2","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Benzyl-6-(2-chloro-phenyl)-4-methyl-4-styrl-tetrahydro- pyrrolo[3,4-c]pyrrole-1,3-dione","","- C28 H25 Cl N2 O2 -","- C28 H25 Cl N2 O2 -","- C448 H400 Cl16 N32 O32 -","16","1","","Bora, Pranjal; Jakkampudi, Satish; Parella, Ramarao; Sakkani, Nagaraju; Dai, Qipu; Bihani, Manisha; Arman, Hadi D.; Zhao, John C.-G.","Diastereodivergent synthesis of 4-oxocyclohexanecarbaldehydes by using the modularly designed organocatalysts upon switching on their iminium catalysis.","Chemical communications (Cambridge, England)","2021","57","43","5334","5337","10.1039/d1cc01020d","","","0.71073","MoKα","","0.0429","0.0409","","","0.1093","0.1116","","","","","","1","","","","has coordinates","265861","2021-06-05","17:24:39",""
"7128294","29.4033","0.0013","34.6034","0.0015","9.5921","0.0005","90","","90","","90","","9759.5","0.8","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H25 N O -","- C34 H25 N O -","- C544 H400 N16 O16 -","16","1","","Kundu, Samrat; Banerjee, Ankush; Pal, Shyam Chand; Ghosh, Meghna; Maji, Modhu Sudan","Cascade annulative π-extension for the rapid construction of carbazole based polyaromatic hydrocarbons.","Chemical communications (Cambridge, England)","2021","57","47","5762","5765","10.1039/d1cc00668a","","","0.71073","MoKα","","0.1599","0.0686","","","0.1718","0.2219","","","","","","0.972","","","","has coordinates","267030","2021-07-05","16:19:49",""
"7128333","23.99","0.02","38.69","0.04","5.573","0.006","90","","90","","90","","5173","9","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C256 H240 N48 -","16","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1527","0.071","","","0.1542","0.1794","","","","","","1.047","","","","has coordinates,has disorder","267021","2021-07-05","16:18:05",""
"7128938","35.5582","0.0006","28.7216","0.0005","15.5658","0.0004","90","","90","","90","","15897.2","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","(C16H72N2)WS4","","- C32 H72 N2 S4 W -","- C32 H72 N2 S4 W -","- C512 H1152 N32 S64 W16 -","16","1","","Thomas, Shibin; Greenacre, Victoria K.; Smith, Danielle E.; Noori, Yasir J.; Abdelazim, Nema M.; Hector, Andrew L.; de Groot, C. H. Kees; Levason, William; Bartlett, Philip N.; Reid, Gillian","Tungsten disulfide thin films <i>via</i> electrodeposition from a single source precursor.","Chemical communications (Cambridge, England)","2021","57","79","10194","10197","10.1039/d1cc03297f","","x-ray","0.71073","MoKα","","0.0623","0.0572","","","0.1408","0.1446","","","","","","1.054","","","","has coordinates","270365","2021-11-06","18:49:25",""
"7128984","25.226","0.009","45.845","0.016","7.02","0.003","90","","90","","90","","8119","5","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C400 H400 N48 -","16","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.0745","0.0447","","","0.0899","0.0988","","","","","","1.045","","","","has coordinates","269259","2021-09-23","21:57:26",""
"7129880","40.5571","0.0006","24.8192","0.0004","24.1742","0.0005","90","","90","","90","","24333.6","0.7","123","","123","","","","","","","","","5","F d d 2","F 2 -2d","43","","RuC(BPh4)2","","- C75 H65 B2 N7 Ru -","- C75 H65 B2 N7 Ru -","- C1200 H1040 B32 N112 Ru16 -","16","1","","Watanabe, Taito; Saga, Yutaka; Kosugi, Kento; Iwami, Hikaru; Kondo, Mio; Masaoka, Shigeyuki","Visible light-driven CO2 reduction with a Ru polypyridyl complex bearing an N-heterocyclic carbene moiety","Chemical Communications","2022","","","","","10.1039/D2CC00657J","","x-ray","0.71073","MoKα","","0.0683","0.0546","","","0.1257","0.1318","","","","","","1.052","","","","has coordinates","273872","2022-03-21","22:55:17",""
"7130220","15.366","0.002","12.374","0.002","12.324","0.002","90","","90","","90","","2343.3","0.6","100","2","100.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Cd2 I O7 P -","- Cd2 I O7 P -","- Cd32 I16 O112 P16 -","16","1","","Chen, Qian-Qian; Hu, Chun-Li; Yao, Li-Jia; Chen, Jin; Cao, Ming-Yang; Li, Bing-Xuan; Mao, Jiang-Gao","Cd2(IO3)(PO4) and Cd1.62Mg0.38(IO3)(PO4): Metal iodate-phosphates with large SHG responses and wide band gaps","Chemical Communications","2022","","","","","10.1039/D2CC02353A","","","0.71073","MoKα","","0.0391","0.0362","","","0.0786","0.0812","","","","","","1.023","","","","has coordinates","276003","2022-06-13","21:53:06",""
"7130221","15.3319","0.0013","12.2073","0.0011","12.2169","0.0016","90","","90","","90","","2286.5","0.4","100","0.1","100.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- Cd1.62 I Mg0.38 O7 P -","- Cd1.623 I Mg0.377 O7 P -","- Cd25.968 I16 Mg6.032 O112 P16 -","16","1","","Chen, Qian-Qian; Hu, Chun-Li; Yao, Li-Jia; Chen, Jin; Cao, Ming-Yang; Li, Bing-Xuan; Mao, Jiang-Gao","Cd2(IO3)(PO4) and Cd1.62Mg0.38(IO3)(PO4): Metal iodate-phosphates with large SHG responses and wide band gaps","Chemical Communications","2022","","","","","10.1039/D2CC02353A","","","0.71073","MoKα","","0.0375","0.0354","","","0.0779","0.0794","","","","","","1.034","","","","has coordinates,has disorder","276003","2022-06-13","21:53:07",""
"7130670","43.7224","0.0017","14.194","0.0006","8.7864","0.0003","90","","90","","90","","5452.8","0.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C256 H224 N32 O32 -","16","1","","Yuan, Sitian; Liu, Yi; Ni, Mengjia; Hao, Tianxin; Peng, Yiyuan; Ding, Qiuping","Fe(acac)<sub>2</sub>/TBHP-promoted synthesis of 11-functionalized dibenzodiazepines <i>via</i> alkoxycarbonylation and carboxamidation of <i>o</i>-isocyanodiaryl amines.","Chemical communications (Cambridge, England)","2022","58","78","10985","10988","10.1039/d2cc04348c","","x-ray","0.71073","MoKα","","0.0358","0.0344","","","0.0819","0.0829","","","","","","0.93","","","","has coordinates","278400","2022-10-07","00:41:54",""
"7131276","13.0303","0.0007","43.234","0.003","10.2922","0.0007","90","","90","","90","","5798.1","0.6","324","2","324","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C240 H208 N16 O48 S16 -","16","1","","Chakraborty, Nikita; Rajbongshi, Kamal K.; Dahiya, Anjali; Das, Bubul; Vaishnani, Akshar; Patel, Bhisma K.","NIS-initiated photo-induced oxidative decarboxylative sulfoximidation of cinnamic acids.","Chemical communications (Cambridge, England)","2023","59","19","2779","2782","10.1039/d3cc00142c","","","0.71073","MoKα","","0.0758","0.0532","","","0.0856","0.0947","","","","","","1.065","","","","has coordinates","283045","2023-05-05","00:11:56",""
"7131743","26.0785","0.0008","31.5718","0.0008","22.0025","0.0007","90","","90","","90","","18115.7","0.9","90","2","90","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C110 H68 Cl6 Ir2 N8 O4 -","- C110 H68 Cl6 Ir2 N8 O4 -","- C880 H544 Cl48 Ir16 N64 O32 -","8","0.5","","Okayasu, Yoshinori; Miyahara, Takuya; Shimada, Rintaro; Nagai, Yuki; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic dinuclear iridium(III) complexes having phenoxyl-imidazolyl radical complex derivatives.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02208k","","","0.71073","MoKα","","0.0249","0.0243","","","0.0793","0.0806","","","","","","0.76","","","","has coordinates,has disorder","284542","2023-06-29","07:58:43",""
"7131857","60.7204","0.0015","21.7118","0.0006","10.0607","0.0002","90","","90","","90","","13263.5","0.6","100","","100","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C27 H49 B F N7 Si Ti -","- C27 H49 B F N7 Si Ti -","- C432 H784 B16 F16 N112 Si16 Ti16 -","16","1","","Mohar, Jacob S.; Reinholdt, Anders; Keller, Taylor M.; Carroll, Patrick J.; Telser, Joshua; Mindiola, Daniel J.","A mononuclear, terminal titanium(III) imido.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc01758c","","x-ray","0.71073","MoKα","","0.0285","0.0264","","","0.0658","0.0666","","","","","","1.022","","","","has coordinates","285084","2023-07-07","21:54:10",""
"7132593","45.975","0.003","37.787","0.003","3.754","0.0003","90","","90","","90","","6521.7","0.8","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C96 H72 Ag24 N48 O24 -","- C96 H72 Ag24 N48 O24 -","- C192 H144 Ag48 N96 O48 -","2","0.125","","Peng, Shuyin; Sun, Yuqian; Li, Qingqing; Jiang, Zhongwen; Rao, Yin; Wu, Yichen; Li, Qiaowei","Stepwise construction of coordinative linkages and dynamic covalent linkages for a porous metal-organic framework.","Chemical communications (Cambridge, England)","2024","60","11","1488","1491","10.1039/d3cc05650c","","","1.34138","GaKα","","0.0495","0.0395","","","0.1097","0.1118","","","","","","1.159","","","","has coordinates","289382","2024-02-04","11:22:49",""
"7132627","28.25","0.002","31.29","0.003","15.7735","0.0012","90","","90","","90","","13943","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38.49 H30.98 Cl3.98 P2 Sb -","- C38.492 H30.984 Cl3.984 P2 Sb -","- C615.872 H495.744 Cl63.744 P32 Sb16 -","16","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.0402","0.0308","","","0.0606","0.0649","","","","","","1.043","","","","has coordinates,has disorder","290095","2024-03-04","19:51:53",""
"7132628","27.674","0.004","31.304","0.004","16.183","0.002","90","","90","","90","","14019","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38.5 H31 Br Cl3 P2 Sb -","- C38.5 H31 Br Cl3 P2 Sb -","- C616 H496 Br16 Cl48 P32 Sb16 -","16","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.044","0.0338","","","0.0596","0.0628","","","","","","1.022","","","","has coordinates,has disorder","290095","2024-03-04","19:51:53",""
"7150220","57.17","0.01","35.88","0.009","10.483","0.003","90","","90","","90","","21503","9","153.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C49.5 H30 Cl15 O2 Sb2 -","- C49.5 H30 Cl15 O2 Sb2 -","- C792 H480 Cl240 O32 Sb32 -","16","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.056","","","","0.2134","","","","","","0.451","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151203","17.135","0.003","38.228","0.008","6.1877","0.0012","90","","90","","90","","4053.2","1.4","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","","- C25 H22 N2 -","- C25 H22 N2 -","- C200 H176 N16 -","8","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.075","0.0393","","","0.0894","0.105","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151867","28.269","0.003","30.785","0.003","7.2402","0.0007","90","","90","","90","","6300.9","1.1","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","1","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0598","0.0472","","","0.1266","0.1362","","","","","","1.041","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7152010","18.004","0.003","39.249","0.006","8.1408","0.0011","90","","90","","90","","5752.6","1.5","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C288 H240 N16 O48 -","16","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0476","0.0391","","","0.0546","0.0557","","","","","","1.675","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152623","36.4369","0.0012","40.2125","0.0014","6.8319","0.0002","90","","90","","90","","10010.2","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H21 N O5 -","- C31 H21 N O5 -","- C496 H336 N16 O80 -","16","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0894","0.0519","","","0.0914","0.1055","","","","","","1.089","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7153166","20.173","0.006","51.635","0.014","5.5236","0.0015","90","","90","","90","","5754","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 S -","- C15 H13 N2 O2 S -","- C240 H208 N32 O32 S16 -","16","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.2406","0.0752","","","0.1652","0.2192","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153340","17.699","0.004","74.502","0.018","5.7208","0.0014","90","","90","","90","","7544","3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H19 N S -","- C24 H19 N S -","- C384 H304 N16 S16 -","16","1","","Gao, Xun; Pan, Ying-ming; Lin, Min; Chen, Li; Zhan, Zhuang-ping","Facile one-pot synthesis of three different substituted thiazoles from propargylic alcohols.","Organic & biomolecular chemistry","2010","8","14","3259","3266","10.1039/c002093a","","","0.71073","MoKα","","0.119","0.0722","","","0.1786","0.2081","","","","","","0.943","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7154688","22.4744","0.0009","49.168","0.002","12.4218","0.0005","90","","90","","90","","13726.4","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C624 H624 N144 O48 -","48","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","1.54178","CuKα","","0.0892","0.0601","","","0.1599","0.21","","","","","","0.833","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7155639","31.9591","0.0004","33.2764","0.0004","10.3208","0.0001","90","","90","","90","","10976","0.2","130","","130","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H31 N3 O5 -","- C32 H31 N3 O5 -","- C512 H496 N48 O80 -","16","1","","Li, Can; Lu, Han; Sun, Xiao-Xue; Mei, Guang-Jian; Shi, Feng","Diastereo- and Enantioselective Construction of Spirooxindole Scaffolds through a Catalytic Asymmetric [3+3] Cycloaddition","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01059A","","","1.54178","CuKα","","0.0436","0.0418","","","0.113","0.1149","","","","","","1.038","","","","has coordinates","196749","2020-10-21","18:00:00",""
"7155771","27.56","0.004","30.44","0.004","9.2142","0.0014","90","","90","","90","","7730","1.9","293","2","293","2","","","","","","","see text","5","F d d 2","F 2 -2d","43","","","","- C20 H19 N2 O5 P -","- C20 H19 N2 O5 P -","- C320 H304 N32 O80 P16 -","16","1","","Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Rapid and selective synthesis of spiropyrazolines and pyrazolylphthalides employing Seyferth-Gilbert reagent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01417A","","","0.71075","MoKα","","0.1161","0.1147","","","0.2605","0.2633","","","","","","1.173","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155954","37.951","0.003","24.115","0.002","9.5003","0.0006","90","","90","","90","","8694.6","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H21 N O3 -","- C27 H21 N O3 -","- C432 H336 N16 O48 -","16","1","","Chaudhari, Tohasib Yusub; Ginotra, Sandeep K.; Tandon, Vibha","Facile access to functionalized indenes and fused quinolines by regioselective 5-enolexo-dig Michael addition and cyclization reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02498C","","","0.71073","MoKα","","0.0947","0.066","","","0.1385","0.1609","","","","","","1.031","","","","has coordinates","202469","2020-10-21","18:00:00",""
"7156650","27.0176","0.0006","36.9735","0.0008","14.7072","0.0003","90","","90","","90","","14691.5","0.5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C120 H164 N20 O18 -","- C120 H164 N20 O18 -","- C480 H656 N80 O72 -","4","0.25","","Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Nieto-Camacho, Antonio; Ramírez-Apan, Teresa; Miranda, Luis D.","Synthesis of diphenylamine macrocycles and their anti-inflammatory effects.","Organic & biomolecular chemistry","2019","17","6","1423","1435","10.1039/c8ob03121e","","","1.54178","CuKα","","0.0866","0.0701","","","0.1767","0.1927","","","","","","1.123","","","","has coordinates,has disorder","225146","2020-10-21","18:00:00",""
"7157480","18.987","0.004","25.021","0.006","7.087","0.0018","90","","90","","90","","3366.8","1.4","300","2","300","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C40 H32 N0 O12 -","- C40 H32 O12 -","- C160 H128 O48 -","4","0.25","","Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan","Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.","Organic & biomolecular chemistry","2020","18","19","3697","3706","10.1039/d0ob00557f","","","0.71073","MoKα","","0.0676","0.0466","","","0.1106","0.1232","","","","","","1.042","","","","has coordinates","252913","2020-10-21","18:00:00",""
"7157642","59.6625","0.0008","17.3644","0.0002","11.0242","0.0001","90","","90","","90","","11421.1","0.2","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","(5aR*,8aS*,9R*)-8-(Bis(4-chlorophenyl)methylene)-9-(4-methoxyphenyl)-5a,8,8a,9-tetrahydrocyclopenta[b][1,3]dioxolo[4,5-g]chromene","","- C36.5 H28 Cl2 O4 -","- C36.5 H28 Cl2 O4 -","- C584 H448 Cl32 O64 -","16","1","","Tanaka, Kenta; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Visible-light-induced [4 + 2] cycloaddition of pentafulvenes by organic photoredox catalysis.","Organic & biomolecular chemistry","2020","18","40","8074","8078","10.1039/d0ob01151g","","x-ray","1.54184","CuKα","","0.0316","0.031","","","0.0813","0.0817","","","","","","1.046","","","","has coordinates,has disorder","258960","2020-11-06","13:10:12",""
"7157658","21.741","0.004","13.765","0.002","21.012","0.003","90","","90","","90","","6288.2","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C68 H62 N4 O13 -","- C68 H60 N4 O13 -","- C272 H240 N16 O52 -","4","0.25","","Gadigennavar, Savita; Sankararaman, Sethuraman","Synthesis and application of 3,4,7,8-tetrakis-exo-methylenecycloocta-1,5-diene as a versatile Diels-Alder diene: synthesis of V-shaped cyclooctatetraene fused acenes.","Organic & biomolecular chemistry","2020","18","34","6738","6744","10.1039/d0ob01544j","","","0.71073","MoKα","","0.0711","0.0635","","","0.1733","0.182","","","","","","1.103","","","","has coordinates,has disorder","256177","2020-10-21","18:00:00",""
"7158065","37.8761","0.0011","51.185","0.0017","6.6097","0.0002","90","","90","","90","","12814.1","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylbismuthane)","","- C39 H32 Bi2 O -","- C39 H32 Bi2 O -","- C624 H512 Bi32 O16 -","16","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.041","0.0288","","","0.0415","0.0437","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158331","24.627","0.003","40.014","0.004","9.3291","0.0011","90","","90","","90","","9193.1","1.8","150","","150","","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C23 H20 Br N3 O S -","- C23 H20 Br N3 O S -","- C368 H320 Br16 N48 O16 S16 -","16","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0298","0.0276","","","0.0655","0.0664","","","","","","1.061","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7159005","17.4716","0.0006","49.5734","0.0018","5.8374","0.0002","90","","90","","90","","5055.9","0.3","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C240 H272 N16 O32 -","16","1","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0828","0.0702","","","0.1778","0.1891","","","","","","1.166","","","","has coordinates","283490","2023-05-05","03:28:57",""
"7159042","52.655","0.004","7.5681","0.0004","19.8301","0.0012","90","","90","","90","","7902.3","0.9","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C416 H288 O64 -","16","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0384","0.0339","","","0.0851","0.0873","","","","","","1.076","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159706","17.3542","0.0007","22.6322","0.0008","8.8875","0.0004","90","","90","","90","","3490.7","0.2","299","2","299","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C1.063 H1.875 N0.125 O0.125 -","- C1.0625 H1.875 N0.125 O0.125 -","- C136 H240 N16 O16 -","128","8","","Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Dutta, Souvik; Kurur, Narayanan D.; Goel, Gaurav; Haridas, V.","Bispidine as a promising scaffold for designing molecular machines.","Organic & biomolecular chemistry","2023","21","45","9054","9060","10.1039/d3ob01406a","","","0.71073","MoKα","","0.0401","0.034","","","0.0852","0.0905","","","","","","1.0518","","","","has coordinates","288047","2023-12-05","19:29:19",""
"7200158","19.1842","0.0019","43.462","0.004","15.4484","0.0015","90","","90","","90","","12881","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H23.4 Cu2 N3 O12.7 S -","- C31 H18 Cu2 N3 O12.7 S -","- C496 H288 Cu32 N48 O203.2 S16 -","16","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0508","0.046","","","0.1258","0.1291","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200302","37.129","0.007","14.135","0.004","26.074","0.003","90","","90","","90","","13684","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C58 H72 N14 Ni2 O15 -","- C40 H28 N8 Ni2 O9 -","- C320 H224 N64 Ni16 O72 -","8","0.5","","Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie","Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units","CrystEngComm","2009","11","2","274","","10.1039/b812643g","","","0.71069","MoKα","","0.0686","0.0607","","","0.1693","0.1759","","","","","","0.985","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200386","17.8128","0.0012","28.874","0.003","7.1606","0.0006","90","","90","","90","","3682.9","0.6","123","1","123","1","","","","","","","","5","F d d 2","F 2 -2d","43","[Cu(cdm)2(NH2(CH2)3NH2)2]","[Cu(cdm)2(NH2(CH2)3NH2)2]","","- C14 H24 Cu N10 O2 -","- C14 H24 Cu N10 O2 -","- C112 H192 Cu8 N80 O16 -","8","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.036","0.0305","","","0.0628","0.065","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200481","20.008","0.002","53.655","0.006","8.9809","0.001","90","","90","","90","","9641.3","1.8","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H46 Cd2 N8 O11 -","- C48 H44 Cd2 N8 O11 -","- C384 H352 Cd16 N64 O88 -","8","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0818","0.0471","","","0.0853","0.0959","","","","","","0.898","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200670","16.8561","0.0004","53.1999","0.0016","15.49","0.0005","90","","90","","90","","13890.5","0.7","223","","223","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 Br2 Cl3 N3 O3 -","- C36 H28 Br2 Cl3 N3 O3 -","- C576 H448 Br32 Cl48 N48 O48 -","16","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.0428","0.0324","","0.0308","0.0278","0.0267","","","","","","1.0671","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201031","12.8459","0.0012","21.18","0.002","8.3837","0.0008","90","","90","","90","","2281","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 Hg N4 S2 -","- C8 H8 Hg N4 S2 -","- C64 H64 Hg8 N32 S16 -","8","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0192","0.0181","","","0.0396","0.0403","","","","","","0.914","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201054","17.7404","0.0006","26.0745","0.0011","9.83","0.0003","90","","90","","90","","4547.1","0.3","108","2","108","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H18 Cu F12 N2 O4 -","- C16 H18 Cu F12 N2 O4 -","- C128 H144 Cu8 F96 N16 O32 -","8","0.5","","Bandoli, Giuliano; Barreca, Davide; Gasparotto, Alberto; Seraglia, Roberta; Tondello, Eugenio; Devi, Anjana; Fischer, Roland A.; Winter, Manuela; Fois, Ettore; Gamba, Aldo; Tabacchi, Gloria","An integrated experimental and theoretical investigation on Cu(hfa)2·TMEDA: structure, bonding and reactivity","Physical Chemistry Chemical Physics","2009","11","28","5998","6007","10.1039/b904145a","","","0.71073","MoKα","","0.0583","0.0417","","","0.09","0.093","","","","","","0.911","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201468","16.7937","0.0006","37.6395","0.0014","16.0278","0.0006","90","","90","","90","","10131.3","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H26 N2 O4 Zn -","- C30 H26 N2 O4 Zn -","- C480 H416 N32 O64 Zn16 -","16","1","","Guo, Huadong; Qiu, Dongfang; Guo, Xianmin; Batten, Stuart R.; Zhang, Hongjie","An unusual 3D polycatenane motif generated by the 2D →2D parallel →3D parallel interpenetration of (4,4) sheets","CrystEngComm","2009","11","12","2611","","10.1039/b913747e","","","0.71073","MoKα","","0.0422","0.0332","","","0.0719","0.0756","","","","","","0.981","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201798","39.698","0.016","48.359","0.019","3.8476","0.0016","90","","90","","90","","7386","5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C288 H240 N48 O144 -","48","3","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.1111","0.0361","","","0.0513","0.0612","","","","","","0.813","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201812","28.016","0.007","28.192","0.013","8.097","0.013","90","","90","","90","","6395","11","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H20 Ni2 O15 -","- C8 H18 Ni2 O15 -","- C128 H288 Ni32 O240 -","16","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0348","0.0299","","","0.0651","0.0673","","","","","","1.022","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7202118","24.4776","0.0017","34.405","0.002","9.8623","0.0006","90","","90","","90","","8305.6","0.9","294","2","294","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C13 H13 N6 O9 Zn2.5 -","- C13 H9 N6 O9 Zn2.5 -","- C208 H144 N96 O144 Zn40 -","16","1","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0227","0.0218","","","0.0731","0.0735","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202199","44.405","0.003","10.6645","0.0007","17.5239","0.0012","90","","90","","90","","8298.6","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C34 H30 Cu2 I4 N2 O10 -","- C34 H30 Cu2 I4 N2 O10 -","- C272 H240 Cu16 I32 N16 O80 -","8","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0236","0.023","","","0.0584","0.0586","","","","","","1.123","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202557","34.784","0.006","57.476","0.012","4.7674","0.0009","90","","90","","90","","9531","3","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","(4-(aminomethyl)pyridine acetate)2, isophthalic acid","[4-(aminomethyl)pyridine acetate]2, isophthalic acid","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C384 H416 N64 O96 -","16","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1642","0.0699","","","0.1559","0.1904","","","","","","0.824","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202640","27.098","0.004","47.336","0.008","6.933","0.007","90","","90","","90","","8893","9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis(bis(pentafluorobenzoyl)methane)copper(ii)","Bis[bis(pentafluorobenzoyl)methane]copper(II)","","- C48 H20 Cu F20 O4 -","- C48 H20 Cu F20 O4 -","- C384 H160 Cu8 F160 O32 -","8","0.5","","Hori, Akiko; Arii, Tadashi","Cation?? and arene?perfluoroarene interactions between Cu(ii) fluorine-substituted ?-diketonate complex and benzenes","CrystEngComm","2007","9","3","215","","10.1039/b617808a","","","0.71069","MoKα","","0.0472","0.0318","","","0.0865","0.0945","","","","","","1.017","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7203168","13.1537","0.0015","28.617","0.003","10.365","0.0011","90","","90","","90","","3901.6","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Co N2 O8 -","- C18 H22 Co N2 O8 -","- C144 H176 Co8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1026","0.0432","","","0.0642","0.0747","","","","","","0.856","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203169","12.6879","0.0012","27.985","0.003","10.8363","0.0011","90","","90","","90","","3847.7","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C144 H176 Cu8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0666","0.0404","","","0.0628","0.0681","","","","","","0.883","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203170","12.88","0.003","28.401","0.006","10.376","0.002","90","","90","","90","","3795.6","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C144 H176 N16 O64 Zn8 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0961","0.0414","","","0.0451","0.0531","","","","","","0.816","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203225","16.628","0.006","45.589","0.012","9.044","0.003","90","","90","","90","","6856","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H18 F2 N O -","- C22 H17 F2 N O -","- C352 H272 F32 N16 O16 -","16","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0283","0.0276","","","0.075","0.0757","","","","","","1.054","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203404","13.8481","0.0003","16.4536","0.0002","9.1071","0.0002","90","","90","","90","","2075.06","0.07","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0244","0.0197","","","0.0479","0.0491","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203409","13.6559","0.0018","16.4436","0.0009","9.0876","0.0009","90","","90","","90","","2040.6","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0261","0.0226","","","0.0499","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203638","18.371","0.003","9.8668","0.0016","15.866","0.003","90","","90","","90","","2875.9","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0317","0.0301","","","0.0731","0.0738","","","","","","1.076","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203899","16.5939","0.0008","28.3186","0.0013","8.6029","0.0004","90","","90","","90","","4042.6","0.3","200","2","200","2","","","","","","","","3","F d d 2","F 2 -2d","43","","(38)","","- C22 H36 N2 -","- C22 H36 N2 -","- C176 H288 N16 -","8","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0505","0.0406","","","0.1074","0.1144","","","","","","1.056","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203900","16.0954","0.0004","33.2375","0.0009","7.8746","0.0002","90","","90","","90","","4212.68","0.19","200","2","200","2","","","","","","","","3","F d d 2","F 2 -2d","43","","(39)","","- C23 H38 N2 -","- C23 H38 N2 -","- C184 H304 N16 -","8","0.5","","von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank","A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","175","","10.1039/a907609c","","","0.71073","MoKα","","0.0269","0.0245","","","0.0609","0.0624","","","","","","1.07","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204159","22.6131","0.0001","23.0681","0.0003","30.8375","0.0004","90","","90","","90","","16086.1","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Cu4 I2 N6 S4 W -","- C30 H30 Cu4 I2 N6 S4 W -","- C480 H480 Cu64 I32 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Kühn, Fritz E.; Wang, Yuxiao; Fun, Hoongkun; Xin, Xinquan","Study on a series of pentanuclear planar 'open' clusters: synthesis, characterization, strong third-order optical nonlinearities and superior optical limiting properties","Journal of Materials Chemistry","2002","12","2","239","","10.1039/b103839g","","","0.71073","MoKα","","0.0454","0.0352","","","0.0761","0.0811","","","","","","1.097","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204160","22.5897","0.0001","22.8053","0.0003","30.1995","0.0003","90","","90","","90","","15557.7","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 N6 S4 W -","- C30 H30 Br2 Cu4 N6 S4 W -","- C480 H480 Br32 Cu64 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Kühn, Fritz E.; Wang, Yuxiao; Fun, Hoongkun; Xin, Xinquan","Study on a series of pentanuclear planar 'open' clusters: synthesis, characterization, strong third-order optical nonlinearities and superior optical limiting properties","Journal of Materials Chemistry","2002","12","2","239","","10.1039/b103839g","","","0.71073","MoKα","","0.0747","0.0432","","","0.0977","0.1114","","","","","","1.008","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204161","22.5496","0.0001","22.7445","0.0003","30.2498","0.0004","90","","90","","90","","15514.5","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C480 H480 Br32 Cu64 Mo16 N96 S64 -","16","1","","Zhang, Chi; Song, Yinglin; Kühn, Fritz E.; Wang, Yuxiao; Fun, Hoongkun; Xin, Xinquan","Study on a series of pentanuclear planar 'open' clusters: synthesis, characterization, strong third-order optical nonlinearities and superior optical limiting properties","Journal of Materials Chemistry","2002","12","2","239","","10.1039/b103839g","","","0.71073","MoKα","","0.0827","0.0479","","","0.0966","0.1099","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7205329","23.374","0.004","27.595","0.004","13.619","0.002","90","","90","","90","","8784","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H18 Cd N5 O6 -","- C21 H18 Cd N5 O6 -","- C336 H288 Cd16 N80 O96 -","16","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0326","0.0282","","","0.067","0.0697","","","","","","0.949","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205763","22.1824","0.0012","35.8905","0.0019","6.3763","0.0003","90","","90","","90","","5076.4","0.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(cyclohexylammonium).(benzoate)","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C208 H304 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1048","0.0702","","","0.1936","0.2219","","","","","","1.007","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7206329","27.28","0.003","31.413","0.004","6.6156","0.0008","90","","90","","90","","5669.2","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H26 N4 O14 Sr -","- C22 H26 N4 O14 Sr -","- C176 H208 N32 O112 Sr8 -","8","0.5","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0312","0.0243","","","0.0539","0.0559","","","","","","1.007","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7207403","11.2987","0.0013","19.407","0.002","8.4415","0.001","90","","90","","90","","1851","0.4","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Cd N4 O4 -","- C8 H6 Cd N4 O4 -","- C64 H48 Cd8 N32 O32 -","8","0.5","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0246","0.024","","","0.0729","0.0738","","","","","","1.084","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207482","25.333","0.008","42.923","0.014","4.5149","0.0015","90","","90","","90","","4909","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(4,4-methylenedianilinium)hexaiododiplumbate(II)","","- C13 H16 I6 N2 Pb2 -","- C13 H16 I6 N2 Pb2 -","- C104 H128 I48 N16 Pb16 -","8","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0315","0.0277","","","0.0625","0.0633","","","","","","1.033","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207541","35.5716","0.0007","34.6846","0.0007","37.7791","0.0008","90","","90","","90","","46611.4","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C204 H180 Cl14 Cu8 N72 O63 -","- C204 H170 Cl14 Cu8 N72 O63 -","- C1632 H1360 Cl112 Cu64 N576 O504 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1039","0.0772","","","0.2109","0.2266","","","","","","1.034","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207742","12.1992","0.0003","15.719","0.0005","25.8536","0.0008","90","","90","","90","","4957.7","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H22 N4 Ni2 O11 -","- C20 H27 N4 Ni2 O11 -","- C160 H216 N32 Ni16 O88 -","8","0.5","","Guo, Sheng-Qi; Tian, Dan; Zheng, Xiang; Zhang, Hong","A rare 4-connected neb topological metal‒organic framework with ferromagnetic characteristics","CrystEngComm","2012","14","9","3177","","10.1039/c2ce06202j","","","0.71073","MoKα","","0.0273","0.0255","","","0.0673","0.0678","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7208124","56.546","0.006","8.1861","0.0008","8.6095","0.0009","90","","90","","90","","3985.3","0.7","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","Dibromotetrafluorobenzene Dimethyl formamide","Dibromotetrafluorobenzene Dimethyl formamide","","- C15 H7 Br4 F8 N O -","- C15 H7 Br4 F8 N O -","- C120 H56 Br32 F64 N8 O8 -","8","0.5","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0543","0.0352","","","0.0752","0.1013","","","","","","1.184","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208503","13.4049","0.0004","48.9616","0.0014","12.2121","0.0004","90","","90","","90","","8015.1","0.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H27 N3 O6 -","- C18 H27 N3 O6 -","- C288 H432 N48 O96 -","16","1","","Singh, Rajiv K.; Hou, Xiaodong; Overby, Molly; Schober, Matthew; Chu, Qianli","Hydrogen bonded chiral sheet self-assembled from a C3-symmetric tricarbamate","CrystEngComm","2012","14","19","6132","","10.1039/c2ce25487e","","","0.71073","MoKα","","0.0298","0.0273","","","0.0763","0.0814","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208677","19.875","0.006","39.36","0.03","4.398","0.004","90","","90","","90","","3440","4","296","2","296","2","80000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1145","0.0994","","","0.2218","0.2367","","","","","","1.291","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208678","19.8523","0.0003","39.3437","0.0007","4.4697","0.0001","90","","90","","90","","3491.12","0.11","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","1.54178","CuKα","","0.0591","0.0579","","","0.1695","0.1714","","","","","","1.11","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208679","19.659","0.009","38.94","0.04","4.07","0.005","90","","90","","90","","3116","5","293","2","296","2","1200000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1802","0.1266","","","0.2628","0.2861","","","","","","1.224","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208993","33.748","0.013","34.172","0.014","3.7629","0.0015","90","","90","","90","","4340","3","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","1,3-Bis(cyanoxime)benzene, monohydrate","1,3-Bis(cyanoxime)benzene, monohydrate","","- C10 H7 N4 O2.5 -","- C10 H7 N4 O2.5 -","- C160 H112 N64 O40 -","16","1","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0872","0.06","","","0.1413","0.1582","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209509","18.5049","0.0001","23.8735","0.0002","9.3156","0.0001","90","","90","","90","","4115.42","0.06","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","diimidazolatozinc(ii)","diimidazolatozinc(II)","","- C17 H17 N9 Zn2 -","- C17 H17 N9 Zn2 -","- C136 H136 N72 Zn16 -","8","0.5","","Schröder, Christian A.; Baburin, Igor A.; van Wüllen, Leo; Wiebcke, Michael; Leoni, Stefano","Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory","CrystEngComm","2013","15","20","4036","","10.1039/c2ce26045j","","","1.54184","CuKα","","0.0284","0.0283","","","0.0731","0.0732","","","","","","1.031","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209685","14.429","0.004","19.03","0.005","24.58","0.007","90","","90","","90","","6749","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H21 Cl2 N4 O1.5 Zn -","- C14 H18 Cl2 N4 O1.5 Zn -","- C224 H288 Cl32 N64 O24 Zn16 -","16","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0357","0.0326","","","0.0751","0.0766","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209779","15.1458","0.0006","20.2514","0.0009","8.6838","0.0004","90","","90","","90","","2663.5","0.2","130","2","130","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0429","0.0376","","","0.1039","0.1061","","","","","","1.039","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7210101","15.916","0.003","19.127","0.004","8.2011","0.0016","90","","90","","90","","2496.6","0.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H8 Cd N10 O2 -","- C6 H8 Cd N10 O2 -","- C48 H64 Cd8 N80 O16 -","8","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0199","0.0196","","","0.0476","0.0481","","","","","","1.154","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210375","42.4912","0.0006","12.0468","0.0015","17.29","0.0007","90","","90","","90","","8850.5","1.2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H22 O8 -","- C24 H22 O8 -","- C384 H352 O128 -","16","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1101","","","","","","1.045","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210685","51.5597","0.0007","58.692","0.0008","3.381","","90","","90","","90","","10231.4","0.2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- B8 Cd7 Na2 O20 -","- B8 Cd7 Na2 O20 -","- B192 Cd168 Na48 O480 -","24","1.5","","Zhou, Lin; Pan, Shilie; Dong, Xiaoyu; Yu, Hongwei; Wu, Hongping; Zhang, Fangfang; Zhou, Zhongxiang","Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units","CrystEngComm","2013","15","17","3412","","10.1039/c3ce26587k","","","0.71073","MoKα","","0.0507","0.0412","","","0.1016","0.1074","","","","","","1.063","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210686","32.44","0.005","38.7","0.005","14.781","0.005","90","0.005","90","0.005","90","0.005","18556","7","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C52 H36 Cd N10 S2 -","- C52 H36 Cd N10 S2 -","- C832 H576 Cd16 N160 S32 -","16","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0457","0.0398","","","0.1191","0.1262","","","","","","1.017","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210725","21.501","0.004","26.51","0.008","30.067","0.006","90","","90","","90","","17138","7","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H10 Cd N5 O9 -","- C23 H10 Cd N5 O9 -","- C552 H240 Cd24 N120 O216 -","24","1.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0926","0.0694","","","0.1703","0.1854","","","","","","1.089","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7211181","47.138","0.012","75.02","0.02","10.521","0.003","90","","90","","90","","37205","17","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H54 Mn3 N4 O21 -","- C64 H54 Mn3 N4 O21 -","- C1024 H864 Mn48 N64 O336 -","16","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.124","0.0696","","","0.1448","0.1593","","","","","","1.066","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211244","18.281","0.002","36.104","0.004","17.145","0.002","90","","90","","90","","11316","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33 H26 N2 Ni O6 -","- C33 H26 N2 Ni O6 -","- C528 H416 N32 Ni16 O96 -","16","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.1008","0.0489","","","0.0911","0.1078","","","","","","1.002","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211248","28.995","0.003","32.585","0.004","9.3986","0.0011","90","","90","","90","","8879.8","1.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H4 N2 O18 U2 -","- C14 H4 N2 O18 U2 -","- C224 H64 N32 O288 U32 -","16","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0497","0.0432","","","0.1018","0.1045","","","","","","1.128","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211309","29.305","0.001","35.039","0.002","7.0828","0.0002","90","","90","","90","","7272.7","0.5","180","2","180","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H19 Cl2 N3 O -","- C20 H19 Cl2 N3 O -","- C320 H304 Cl32 N48 O16 -","16","1","","Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona","Tuning solid-state blue and red luminescence by the formation of solvate crystals.","Physical chemistry chemical physics : PCCP","2013","15","45","19845","19852","10.1039/c3cp53929f","","","0.71073","MoKα","","0.1318","0.1159","","","0.3237","0.3462","","","","","","1.568","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211332","22.638","0.002","23.917","0.002","5.1656","0.0004","90","","90","","90","","2796.8","0.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C96 H112 Cu8 N32 O32 -","8","0.5","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0335","0.0327","","","0.0806","0.0816","","","","","","1.051","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211539","22.118","0.003","44.164","0.007","6.6646","0.0007","90","","90","","90","","6510.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","","- C26 H24 Cl2 N12 O6 Zn3 -","- C26 H24 Cl2 N12 O6 Zn3 -","- C208 H192 Cl16 N96 O48 Zn24 -","8","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0854","0.0542","","","0.1232","0.1375","","","","","","0.979","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211632","36.481","0.002","49.104","0.003","11.8446","0.0007","90","","90","","90","","21218","2","291","","291","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C41 H48 Co2 N8 O16 -","- C41 H48 Co2 N8 O16 -","- C656 H768 Co32 N128 O256 -","16","1","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0569","0.0488","","","0.1098","0.1118","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211840","18.892","0.006","8.215","0.003","14.4","0.004","90","","90","","90","","2234.8","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H8 I N O2 -","- C12 H8 I N O2 -","- C96 H64 I8 N8 O16 -","8","0.5","","Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg","Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)","CrystEngComm","2010","12","4","1252","","10.1039/b915469h","","","0.71073","MoKα","","0.0715","0.0305","","","0.0548","0.0641","","","","","","0.897","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7212161","30.1951","0.0015","12.3606","0.0006","13.921","0.0007","90","","90","","90","","5195.7","0.4","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23 H23 Cl2 Hg N O10 S2 -","- C23 H23 Cl2 Hg N O10 S2 -","- C184 H184 Cl16 Hg8 N8 O80 S16 -","8","0.5","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0278","0.024","","","0.0585","0.0602","","","","","","1.111","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7214105","29.37","0.006","20.998","0.003","27.36","0.004","90","","90","","90","","16873","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H12 Cd1.81 Na0.69 O12 -","- C24 H12 Cd1.84 Na0.66 O12 -","- C384 H192 Cd29.44 Na10.56 O192 -","16","1","","Luo, Yu-Hui; Yu, Xiao-Yang; Yang, Jia-Jun; Zhang, Hong","An eight-connected porous metal‒organic framework based on hetero pentanuclear clusters","CrystEngComm","2014","16","1","47","","10.1039/c3ce41785a","","","0.71073","MoKα","","0.1016","0.0746","","","0.1961","0.2174","","","","","","0.991","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214687","52.349","0.008","20.421","0.004","9.9111","0.0015","90","","90","","90","","10595","3","200","","200","","","","","","","","","5","F d d 2","F 2 -2d","43","(Co(L)(BPE))-4(H2O)","[Co(L)(BPE)]-4(H2O)","","- C25 H27 Co N3 O8 -","- C25 H19 Co N3 O8.001 -","- C400 H304 Co16 N48 O128.016 -","16","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.037","0.0341","","","0.0879","0.0889","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7215002","13.3492","0.0004","37.1096","0.0012","6.0702","0.0002","90","","90","","90","","3007.08","0.17","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C2 H8 N5 O4 P -","- C2 H8 N5 O4 P -","- C32 H128 N80 O64 P16 -","16","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.019","0.0189","","","0.0615","0.0617","","","","1.52","1.52","1.52","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215042","31.754","0.012","10.712","0.004","21.206","0.008","90","","90","","90","","7213","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Br3 Cu6 N15 -","- C36 H24 Br3 Cu6 N15 -","- C288 H192 Br24 Cu48 N120 -","8","0.5","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0708","0.0633","","","0.1752","0.1831","","","","","","1.022","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215311","19.948","0.003","28.534","0.004","5.304","0.001","90","","90","","90","","3019","0.8","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-(dihydroxyphosphoryl)nicotinic acid","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C96 H96 N16 O80 P16 -","16","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0301","0.0249","","","0.0576","0.0592","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215441","28.4879","0.0005","32.7675","0.0006","7.999","0.0001","90","","90","","90","","7466.9","0.2","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis(N,N-dimethylselenourea)trichloro antimony hemiacetone","","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C120 H304 Cl48 N64 O8 Sb16 Se32 -","16","1","","Maiti, Nilkamal; Im, Sang Hyuk; Lee, Yong Hui; Kim, Chong-Hyeak; Seok, Sang Il","Solvent-assisted growth of Sb2Se3 nanocompounds from a single-source precursor under mild reaction conditions","CrystEngComm","2011","13","11","3767","","10.1039/c1ce05032j","","","0.71073","MoKα","","0.024","0.0202","","","0.0433","0.0441","","","","","","1.069","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7215483","29.446","0.014","39.144","0.019","17.41","0.008","90","","90","","90","","20067","16","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C51 H89 N3 O7 -","- C51 H89 N3 O7 -","- C816 H1424 N48 O112 -","16","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0502","0.039","","","0.0987","0.1067","","","","","","1.147","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215959","36.197","0.003","36.436","0.003","8.0228","0.0006","90","","90","","90","","10581.1","1.5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C448 H432 Cl32 N48 O64 -","16","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.067","0.046","","","0.0992","0.1077","","","","","","1.049","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216091","17.2481","0.0012","26.2681","0.0019","11.0818","0.0008","90","","90","","90","","5020.9","0.6","90","2","87","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H9 Cu0.5 N O5 P V -","- C11 H9 Cu0.5 N O5 P V -","- C176 H144 Cu8 N16 O80 P16 V16 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0373","0.0354","","","0.0807","0.0816","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216093","20.7505","0.001","45.726","0.002","6.0304","0.0003","90","","90","","90","","5721.9","0.5","101","2","101","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H12 Cu2 N O8 P2 -","- C11 H12 Cu2 N O8 P2 -","- C176 H192 Cu32 N16 O128 P32 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0367","0.0339","","","0.0716","0.0727","","","","","","1.097","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216567","27.579","0.007","32.87","0.008","4.447","0.001","90","","90","","90","","4031.3","1.7","294","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H12 Br4 N2 -","- C22 H12 Br4 N2 -","- C176 H96 Br32 N16 -","8","0.5","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.039","","","","0.048","","","","","","1.69","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7217079","14.033","0.003","38.45","0.008","10.289","0.002","90","","90","","90","","5552","2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H35 N3 O4 -","- C29 H35 N3 O4 -","- C232 H280 N24 O32 -","8","0.5","","Li, Yan; Jia, Yiming; Wang, Zhenwen; Li, Xianghui; Feng, Wen; Deng, Pengchi; Yuan, Lihua","An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization","RSC Advances","2014","4","56","29702","","10.1039/C4RA02030H","","","0.71073","MoKα","","0.0631","0.0452","","","0.1045","0.1133","","","","","","1.053","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217228","22.87","0.005","34.647","0.007","9.535","0.002","90","","90","","90","","7555","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C128 H144 Ag32 Cr32 N192 O120 -","16","1","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0204","0.0199","","","0.0474","0.0477","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217251","17.297","0.002","30.446","0.004","14.7303","0.0019","90","","90","","90","","7757.3","1.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 N3 Ni O6 -","- C20 H17 N3 Ni O6 -","- C320 H272 N48 Ni16 O96 -","16","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0733","0.0684","","","0.1784","0.1824","","","","","","1.165","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217252","11.723","0.002","22.957","0.006","31.011","0.011","90","","90","","90","","8346","4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H28 N6 Ni2 O9 -","- C40 H28 N6 Ni2 O9 -","- C320 H224 N48 Ni16 O72 -","8","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.046","0.0432","","","0.1066","0.1076","","","","","","1.142","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7218913","21.2603","0.0017","42.109","0.004","5.7891","0.0005","90","","90","","90","","5182.7","0.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C280 H192 Cl16 N16 -","8","0.5","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0746","0.0668","","","0.1405","0.1441","","","","","","1.227","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219145","44.8","0.003","17.1348","0.0013","17.7314","0.0014","90","","90","","90","","13611.3","1.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H36 Ag F6 N6 O2 P -","- C30 H36 Ag F6 N6 O2 P -","- C480 H576 Ag16 F96 N96 O32 P16 -","16","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0356","0.031","","","0.0867","0.0912","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219183","27.107","0.002","42.977","0.002","11.7228","0.0008","90","","90","","90","","13656.8","1.5","100","2","100","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C14 H17 Cl Cu N2 O8 -","- C14 H17 Cl Cu N2 O8 -","- C448 H544 Cl32 Cu32 N64 O256 -","32","2","","Das, Debasis; Adhikari, Sangita; Banerjee, Arnab; Nandy, Sandip; Fondo, Matilde; Sanmartin, Jesus","Structure, magnetism and catecholase activity of the first dicopper(II) complex having a single μ-alkoxo bridge","RSC Adv.","2014","","","","","10.1039/C4RA14603D","","x-ray","0.7107","MoKα","","0.0418","0.0337","","","0.0635","0.0665","","","","","","1.026","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219501","21.3459","0.0007","18.6413","0.0006","5.93539","0.00019","90","","90","","90","","2361.78","0.13","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H11 N O -","- C5 H11 N O -","- C80 H176 N16 O16 -","16","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","","0.0285","0.0271","","","0.0686","0.0694","","","","","","1.062","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219687","59.519","0.002","12.942","0.005","7.623","0.002","90","","90","","90","","5872","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C240 H224 N32 O96 -","16","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0503","0.0433","","","0.0973","0.1012","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7220767","10.5744","0.0005","39.183","0.003","9.2768","0.0005","90","","90","","90","","3843.7","0.4","108","2","108","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N3 O13 Pr -","- C16 H16 N3 O13 Pr -","- C128 H128 N24 O104 Pr8 -","8","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.026","0.0249","","","0.0617","0.0626","","","","","","1.095","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220816","17.501","0.003","33.436","0.006","7.1042","0.0012","90","","90","","90","","4157.1","1.2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C2.57 H7 Cd2 N4 O7.43 S -","- C2.57 H7 Cd2 N4 O7.43 S -","- C41.12 H112 Cd32 N64 O118.88 S16 -","16","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0262","0.0239","","","0.0554","0.0572","","","","","","1.058","","","","has coordinates,has disorder","153096","2020-10-21","18:00:00",""
"7221032","30.6044","0.0017","38.834","0.003","7.798","0.0004","90","","90","","90","","9267.9","1","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H23 Br2 N O3 -","- C25 H23 Br2 N O3 -","- C400 H368 Br32 N16 O48 -","16","1","","Pavankumar, C. S.; Harsha, Kachigere B.; Kempegowda, Mantelingu; K.S., Rangappa","Diastereoselective Synthesis of Fused Oxazolidines and Highly Substituted 1H-pyrrolo [2, 1-c][1,4] oxazines via C‒H functionalization","RSC Adv.","2015","","","","","10.1039/C5RA10030E","","","1.54178","CuKα","","0.075","0.0555","","","0.1492","0.1609","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221205","14.84","","17.89","","5.97","","90","","90","","90","","1584.96","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Sr3 As4","","- As4 Sr3 -","- As4 Sr3 -","- As32 Sr24 -","8","0.5","","Deller, K.; Eisenmann, B.","Die Kristallstruktur des Sr3 As4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1368","1370","","","","","","","","","","","","","","","","","","","","","","has coordinates","144965","2020-10-21","18:00:00",""
"7221382","21.964","","21.504","","12.701","","90","","90","","90","","5998.86","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ba Zn (Sn S4)","","- Ba S4 Sn Zn -","- Ba S4 Sn Zn -","- Ba32 S128 Sn32 Zn32 -","32","2","","Teske, C.L.","Darstellung, Kristallstrukturdaten und Eigenschaften der quaternaeren Thiostannate(IV) Ba Zn Sn S4 und Ba Mn Sn S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","509","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221383","21.731","","21.449","","12.951","","90","","90","","90","","6036.57","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ba Mn (Sn S4)","","- Ba Mn S4 Sn -","- Ba Mn S4 Sn -","- Ba32 Mn32 S128 Sn32 -","32","2","","Teske, C.L.","Darstellung, Kristallstrukturdaten und Eigenschaften der quaternaeren Thiostannate(IV) Ba Zn Sn S4 und Ba Mn Sn S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","509","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221594","22.31","0.002","71.299","0.007","5.808","0.0007","90","","90","","90","","9238.7","1.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C432 H352 N32 O64 S16 -","16","1","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1092","0.0586","","","0.1566","0.2107","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221838","20.2211","0.0017","95.38","0.009","12.5142","0.001","90","","90","","90","","24136","4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","rhodamine-B-hydrazone of isophthalaldehyde","","","- C64 H66 N8 O4 -","- C64 H66 N8 O4 -","- C1024 H1056 N128 O64 -","16","1","","Chattopadhyay, Pabitra; Pal, Siddhartha; Sen, Buddhadeb; Mukherjee, Manjira; Patra, Mousumi; Lahiri, Susmita","Selective and sensitive turn-on chemosensor for Al(III) ion applicable in living organism: nanomolar detection in aqueous medium","RSC Adv.","2015","","","","","10.1039/C5RA13478A","","","0.71073","MoKα","","0.1135","0.0677","","","0.1474","0.1665","","","","","","1.063","","","","has coordinates","194038","2020-10-21","18:00:00",""
"7222007","22.5402","0.0009","50.511","0.002","4.6451","0.0002","90","","90","","90","","5288.6","0.4","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","lawsone-trimethylenebipyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C264 H208 N16 O48 -","8","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0293","0.0261","","","0.063","0.0652","","","","","","1.083","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222318","30.013","0.003","35.346","0.006","8.669","0.0009","90","","90","","90","","9196","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H17 N4 O7 S Yb -","- C24 H17 N4 O7 S Yb -","- C384 H272 N64 O112 S16 Yb16 -","16","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0254","0.0223","","","0.042","0.0432","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222749","17.276","","21.37","","4.7616","","90","","90","","90","","1757.93","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","S2 Cl2","","- Cl2 S2 -","- Cl2 S2 -","- Cl32 S32 -","16","1","","Kniep, R.; Korte, L.; Mootz, D.","Kristallstrukturen von Verbindungen A2 X2 (A= S,Se; X= Cl,Br)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1983","38","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","164638","2020-10-21","18:00:00",""
"7222970","26.589","0.004","32.239","0.005","7.3315","0.0012","90","","90","","90","","6284.6","1.7","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H15 N3 O5 -","- C17 H15 N3 O5 -","- C272 H240 N48 O80 -","16","1","","Vereshchagin, Anatoly N.; Elinson, Michail N.; Dorofeeva, Evgeniya O.; Sokolova, Olga O.; Bushmarinov, Ivan S.; Egorov, Michail N.","Stereoselective synthesis of medicinally relevant furo[2,3-d]pyrimidine framework by thermal rearrangement of spirocyclic barbiturates","RSC Adv.","2015","","","","","10.1039/C5RA19169F","","x-ray","0.71073","MoKα","","0.1161","0.0725","","","0.1516","0.1737","","","","","","1.076","","","","has coordinates","169175","2020-10-21","18:00:00",""
"7223169","36.8971","0.0005","30.3093","0.0004","17.87564","0.00019","90","","90","","90","","19990.8","0.4","150","2","150","2","","","","","","","","10","F d d 2","F 2 -2d","43","[Ce(hfac)3(BrPyDTDA)2]*0.5{SbPh3Cl2}","","","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C576 H264 Br32 Ce16 Cl16 F288 N96 O96 S64 Sb8 -","16","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","0.71073","MoKα","","0.0599","0.0481","","","0.1189","0.1275","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223181","16.68","0.003","32.764","0.007","6.5537","0.0013","90","","90","","90","","3581.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H12 Cd N6 O4 -","- C18 H12 Cd N6 O4 -","- C144 H96 Cd8 N48 O32 -","8","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0197","0.0176","","","0.0406","0.0522","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223725","34.2012","0.0019","10.3247","0.0006","12.1234","0.0006","90","","90","","90","","4281","0.4","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H14 Cl N5 -","- C8 H14 Cl N5 -","- C128 H224 Cl16 N80 -","16","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.0506","0.0442","","","0.1126","0.1182","","","","","","1.043","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7224044","20.7414","0.0014","32.981","0.002","9.7539","0.0007","90","","90","","90","","6672.4","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C72 H60 Cl4 Mn O4 P4 Zn -","- C72 H60 Cl4 Mn O4 P4 Zn -","- C288 H240 Cl16 Mn4 O16 P16 Zn4 -","4","0.25","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0253","0.0243","","","0.0665","0.0671","","","","","","1.074","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224045","20.718","0.005","33.018","0.005","9.751","0.005","90","0.005","90","0.005","90","0.005","6670","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 O2 P2 Zn -","- C36 H30 Cl2 O2 P2 Zn -","- C288 H240 Cl16 O16 P16 Zn8 -","8","0.5","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0214","0.0203","","","0.0555","0.0559","","","","","","1.052","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224356","55.0537","0.001","36.3597","0.0005","10.6018","0.0002","90","","90","","90","","21222","0.6","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","(ClIO)3:DMSO:H2O","","","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C684.16 H516.48 Cl48 N96 O146.08 S30.08 -","4","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0549","0.0497","","","0.1371","0.1426","","","","","","1.053","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224504","33.046","0.004","9.0309","0.001","16.4592","0.0018","90","","90","","90","","4912","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H32 Mn N2 O8 -","- C24 H32 Mn N2 O8 -","- C192 H256 Mn8 N16 O64 -","8","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0523","0.0489","","","0.1259","0.1299","","","","","","1.06","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7226521","29.269","0.004","38.689","0.005","6.4704","0.0009","90","","90","","90","","7327","1.7","100","0.5","100","0.5","","","","","","","","7","F d d 2","F 2 -2d","43","utksc01","","","- C14 H17 Cl2 Fe I N2 O3 -","- C14 H17 Cl2 Fe I N2 O3 -","- C224 H272 Cl32 Fe16 I16 N32 O48 -","16","1","","Das, Parthapratim; Elder, Thomas J.; Brennessel, William W.; Chmely, Stephen C.","Iron piano-stool complexes containing NHC ligands outfitted with pendent arms: synthesis, characterization, and screening for catalytic transfer hydrogenation","RSC Adv.","2016","","","","","10.1039/C6RA20764B","","","0.71073","MoKα","","0.0362","0.0317","","","0.0799","0.0817","","","","","","1.063","","","","has coordinates","186506","2020-10-21","18:00:00",""
"7226881","30.656","0.003","27.727","0.005","3.7908","0.0004","90","","90","","90","","3222.2","0.7","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C144 H112 N48 O32 -","16","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0566","0.0499","","","0.1221","0.1282","","","","","","1.074","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226929","28.065","0.011","36.966","0.014","4.2708","0.0016","90","","90","","90","","4431","3","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Mp-p1b-H15 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)3-COOH","","- C25 H22 N6 O4 -","- C25 H22 N6 O4 -","- C200 H176 N48 O32 -","8","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0899","0.0533","","","0.1095","0.126","","","","","","0.986","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7227873","24.564","0.003","42.547","0.005","7.7934","0.0008","90","","90","","90","","8145.1","1.6","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H21 O5 P Re -","- C20 H21 O5 P Re -","- C320 H336 O80 P16 Re16 -","16","1","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","","0.71073","MoKα","","0.0295","0.0245","","","0.0435","0.0453","","","","","","1.001","","","","has coordinates,has disorder","194350","2020-10-21","18:00:00",""
"7227991","24.0182","0.0013","26.8445","0.0014","7.914","0.0004","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-methyl-2-(methylamino)-3-nitro-1H-chromeno[2,3-b]pyridin-5(10aH)-one","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C224 H208 N48 O64 -","16","1","","Ramakrishna, Seeram; nataraj, poomathi; Perumal, Paramasivan Thirumalai","An efficient and eco-friendly synthesis of 2-pyridones and functionalized azaxanthone frameworks via indium triflate catalyzed domino reaction","Green Chem.","2017","","","","","10.1039/C6GC03440C","","","0.71073","MoKα","","0.0336","0.03","","","0.0733","0.0759","","","","","","1.044","","","","has coordinates","194735","2020-10-21","18:00:00",""
"7228412","13.3885","0.0003","66.3135","0.0018","5.5816","0.0002","90","","90","","90","","4955.6","0.2","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C272 H224 O32 -","16","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0428","0.0325","","","0.0807","0.1154","","","","","","1.168","","","","has coordinates","197599","2020-10-21","18:00:00",""
"7228560","8.613","0.003","18.593","0.006","38.594","0.012","90","","90","","90","","6181","4","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H13 N3 O4 Zn -","- C23 H13 N3 O4 Zn -","- C184 H104 N24 O32 Zn8 -","8","0.5","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.0412","0.0336","","","0.0761","0.0793","","","","","","0.974","","","","has coordinates,has disorder","198185","2020-10-21","18:00:00",""
"7228894","10.833","0.002","14.932","0.002","18.906","0.004","90","","90","","90","","3058.2","1","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C64 H32 F16 N64 O88 -","8","0.5","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0888","0.0386","","","0.0705","0.086","","","","","","0.955","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7229363","20.889","0.004","21.431","0.004","13.025","0.003","90","","90","","90","","5831","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C31 H30 Cd N2 O11 -","- C31 H30 Cd N2 O11 -","- C248 H240 Cd8 N16 O88 -","8","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0205","0.0188","","","0.0481","0.049","","","","","","1.059","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229637","16.185","0.014","29.012","0.018","6.093","0.004","90","","90","","90","","2861","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C96 H176 N32 O16 -","8","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.095","0.0695","","","0.1901","0.2027","","","","","","1.137","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229766","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.0386","0.0316","","","0.0831","0.0894","","","","","","1.066","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229767","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.02","0.014","","","","0.012","","","","","","1.285","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7230333","41.659","0.005","24.658","0.003","4.842","0.0006","90","","90","","90","","4973.8","1","293","2","293","2","","","","","","","non-photochromic","4","F d d 2","F 2 -2d","43","3OEt-3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0767","0.0474","","","0.1018","0.1202","","","","","","1.006","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230609","29.689","0.007","44.694","0.011","4.888","0.0012","90","","90","","90","","6486","3","298","2","298","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C272 H256 N64 O64 -","16","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0603","0.0557","","","0.1169","0.119","","","","","","1.2","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230721","21.758","0.005","50.304","0.005","13.416","0.005","90","","90","","90","","14684","7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C80 H70 Cl2 N6 O11 -","- C80 H70 Cl2 N6 O11 -","- C640 H560 Cl16 N48 O88 -","8","0.5","","Wang, Dong; Li, Linna; Feng, Hairong; Sun, Hua; Almeida-Veloso, Fabrice; Charavin, Marine; Yu, Peng; Désaubry, Laurent","Catalyst-free three-component synthesis of highly functionalized 2,3-dihydropyrroles","Green Chemistry","2018","20","12","2775","","10.1039/C8GC00987B","","","0.71073","MoKα","","0.0607","0.0527","","","0.1321","0.1378","","","","","","1.082","","","","has coordinates","230124","2020-10-21","18:00:00",""
"7232020","39.377","","43.654","","38.551","","90","","90","","90","","66267.8","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 Co6 N18 O30 -","- C108 H72 Co6 N18 O30 -","- C1728 H1152 Co96 N288 O480 -","16","1","","Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping","Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size","CrystEngComm","2019","21","10","1564","","10.1039/C8CE01942H","","","0.71073","MoKα","","0.0687","0.0489","","","0.1344","0.1484","","","","","","1.001","","","","has coordinates","223488","2020-10-21","18:00:00",""
"7233187","19.198","0.003","68.958","0.01","11.0075","0.0012","90","","90","","90","","14572","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H26 F12 Ir N4 P -","- C38 H26 F12 Ir N4 P -","- C608 H416 F192 Ir16 N64 P16 -","16","1","","Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink","Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes","Journal of Materials Chemistry C","2013","1","","2241","2248","10.1039/C3TC00808H","","","0.71073","MoKα","","0.0181","0.0168","","","0.0359","0.0364","","","","","","1.124","","","","has coordinates","217119","2020-10-21","18:00:00",""
"7233974","27.576","0.003","52.262","0.005","7.423","0.0007","90","","90","","90","","10697.9","1.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H20 Co2 N2 O10 -","- C28 H20 Co2 N2 O10 -","- C448 H320 Co32 N32 O160 -","16","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0819","0.0547","","","0.1307","0.1443","","","","","","1.016","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7234380","15.629","0.004","48.792","0.011","3.6419","0.0008","90","","90","","90","","2777.2","1.1","400","","400","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0319","","","","0.0837","","","","","","1.083","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234381","15.621","0.004","48.764","0.011","3.6313","0.0008","90","","90","","90","","2766.1","1.1","380","","380","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0305","","","","0.0814","","","","","","1.108","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234382","15.611","0.004","48.719","0.011","3.6202","0.0008","90","","90","","90","","2753.4","1.1","360","","360","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0304","","","","0.0783","","","","","","1.103","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7235472","24.513","0.002","42.263","0.004","4.1537","0.0003","90","","90","","90","","4303.2","0.6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H8 N2 O3 Se -","- C10 H8 N2 O3 Se -","- C160 H128 N32 O48 Se16 -","16","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0513","0.0325","","","0.0555","0.0594","","","","","","1.065","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235955","20.261","0.004","46.298","0.009","8.3561","0.0017","90","","90","","90","","7838","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","- C336 H368 N32 O32 S16 -","8","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.058","0.0481","","","0.1128","0.1201","","","","","","1.07","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7236230","19.2891","0.0014","35.214","0.003","12.0446","0.0009","90","","90","","90","","8181.3","1.1","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Y -","- C10 H28 N2 Na O16 Y -","- C160 H448 N32 Na16 O256 Y16 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0776","0.0749","","","0.1985","0.201","","","","","","1.013","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236231","35.4573","0.0008","19.4184","0.0004","12.0642","0.0003","90","","90","","90","","8306.5","0.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Dy N2 Na O16 -","- C10 H28 Dy N2 Na O16 -","- C160 H448 Dy16 N32 Na16 O256 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0571","0.057","","","0.136","0.1361","","","","","","1.056","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236232","35.4574","0.0009","19.4184","0.0004","12.0642","0.0003","90","","90","","90","","8306.5","0.3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 H28 Eu N2 Na O16 -","- C160 H448 Eu16 N32 Na16 O256 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0214","0.0213","","","0.0545","0.0545","","","","","","1.205","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236233","35.306","0.003","19.2934","0.0015","12.0542","0.001","90","","90","","90","","8211","1.2","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Tb -","- C10 H28 N2 Na O16 Tb -","- C160 H448 N32 Na16 O256 Tb16 -","16","1","","Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks","RSC Advances","2016","6","76","72510","","10.1039/C6RA09831B","","","0.71073","MoKα","","0.0335","0.0333","","","0.0846","0.0847","","","","","","1.296","","","","has coordinates,has disorder","235290","2020-10-21","18:00:00",""
"7236542","24.7816","0.0004","47.538","0.0008","15.4054","0.0003","90","","90","","90","","18148.6","0.6","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Ferrocene-Co-corrole","","- C60 H42 Co Fe N4 O P -","- C60 H42 Co Fe N4 O P -","- C960 H672 Co16 Fe16 N64 O16 P16 -","16","1","","Samireddi, Satyanarayana; Shown, Indrajit; Shen, Tzu-Hsien; Huang, Hsin-Chih; Wong, Ken-Tsung; Chen, Li-Chyong; Chen, Kuei-Hsien","Hybrid bimetallic-N4 electrocatalyst derived from a pyrolyzed ferrocene‒Co-corrole complex for oxygen reduction reaction","Journal of Materials Chemistry A","2017","5","19","9279","","10.1039/C7TA00949F","","","1.54178","CuKα","","0.0634","0.0551","","","0.1407","0.1483","","","","","","1.024","","","","has coordinates,has disorder","236290","2020-10-21","18:00:00",""
"7237623","12.1166","0.0019","26.53","0.004","5.9228","0.0009","90","","90","","90","","1903.9","0.5","180","2","180","2","","","","","","","","3","F d d 2","F 2 -2d","43","2,3-TFBP","","","- C12 H6 F4 -","- C12 H6 F4 -","- C96 H48 F32 -","8","0.5","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.0205","0.0199","","","0.0501","0.0508","","","","","","1.068","","","","has coordinates","237815","2020-10-21","18:00:00",""
"7237819","17.9559","0.0015","69.78","0.004","13.5926","0.0012","90","","90","","90","","17031","2","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C107 H89 Cl3 O4 -","- C107 H89 Cl3 O4 -","- C856 H712 Cl24 O32 -","8","0.5","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.1088","0.0514","","","0.0893","0.0995","","","","","","1.006","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7238342","13.4667","0.0006","19.3913","0.001","6.3165","0.0003","90","","90","","90","","1649.47","0.14","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","2,7-dimethyl-1,8-naphthyridine","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0648","0.0574","","","0.114","0.1215","","","","","","1.144","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238437","17.241","0.003","34.415","0.005","8.1449","0.0012","90","","90","","90","","4832.8","1.3","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C192 H240 N48 -","16","1","","Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik","Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores","RSC Advances","2011","1","8","1457","","10.1039/c1ra00566a","","","0.71073","MoKα","","0.1248","0.0611","","","0.1631","0.2047","","","","","","0.994","","","","has coordinates","244174","2020-10-21","18:00:00",""
"7238504","36.256","0.004","54.989","0.005","16.0501","0.0014","90","","90","","90","","31999","5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 La N21 O34.5 -","- C50 H60 Cl2 La N20 O13 -","- C800 H960 Cl32 La16 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0759","0.0744","","","0.1931","0.1945","","","","","","1.012","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238509","35.89","0.008","55.191","0.012","16.106","0.004","90","","90","","90","","31903","13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 N21 O34.5 Pr -","- C50 H60 Cl2 N20 O13 Pr -","- C800 H960 Cl32 N320 O208 Pr16 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0647","0.0593","","","0.1528","0.157","","","","","","1.01","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238511","35.869","0.015","55.15","0.02","16.021","0.006","90","","90","","90","","31692","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Ce Cl2 N21 O34.5 -","- C50 H57 Ce Cl2 N20 O13 -","- C800 H912 Ce16 Cl32 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.109","0.0793","","","0.1874","0.2014","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238693","27.9696","0.0019","35.857","0.003","7.033","0.0005","90","","90","","90","","7053.4","0.9","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H19 N4 O Pd S -","- C18 H16 N4 O Pd S -","- C288 H256 N64 O16 Pd16 S16 -","16","1","","Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh","Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions","RSC Advances","2012","2","31","11751","","10.1039/c2ra21078a","","","0.71073","MoKα","","0.069","0.0385","","","0.074","0.0835","","","","","","0.934","","","","has coordinates","244295","2020-10-21","18:00:00",""
"7238717","35.5141","0.0011","37.5405","0.0012","10.7672","0.0003","90","","90","","90","","14355","0.8","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H26 Cd2 N8 O12 S2 -","- C32 H26 Cd2 N8 O12 S2 -","- C512 H416 Cd32 N128 O192 S32 -","16","1","","Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di","Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands","RSC Advances","2012","2","27","10189","","10.1039/c2ra21533k","","","0.71073","MoKα","","0.0179","0.0166","","","0.0359","0.0365","","","","","","1.015","","","","has coordinates","244313","2020-10-21","18:00:00",""
"7239602","51.7838","0.0017","28.8494","0.0013","6.281","0.0002","90","","90","","90","","9383.4","0.6","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 Co N6 O4 -","- C48 H28 Co N6 O4 -","- C384 H224 Co8 N48 O32 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0623","0.0611","","","0.1817","0.1834","","","","","","1.061","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239603","51.726","0.005","29.1071","0.0011","6.2678","0.0003","90","","90","","90","","9436.8","1.1","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 N6 O4 Zn -","- C48 H28 N6 O4 Zn -","- C384 H224 N48 O32 Zn8 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0776","0.0766","","","0.2262","0.2299","","","","","","1.085","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239708","25.482","0.004","10.5445","0.0013","11.8015","0.0013","90","","90","","90","","3171","0.7","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H15 Cl N4 O4 -","- C14 H15 Cl N4 O4 -","- C112 H120 Cl8 N32 O32 -","8","0.5","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.1068","0.0887","","","0.2646","0.2899","","","","","","1.162","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7240359","29.004","0.004","37.698","0.006","4.4554","0.0007","90","","90","","90","","4871.5","1.3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C224 H192 N32 O32 -","16","1","","Dhawa, Tanumoy; Hazra, Ananta; Barma, Arpita; Pal, Kunal; Karmakar, Parimal; Roy, Partha","4-Methyl-2,6-diformylphenol based biocompatible chemosensors for pH: discrimination between normal cells and cancer cells","RSC Advances","2020","10","26","15501","15513","10.1039/D0RA00754D","","","0.71073","MoKα","","0.1715","0.0919","","","0.1377","0.1637","","","","","","1.223","","","","has coordinates","258034","2020-10-21","18:00:00",""
"7240866","12.4001","0.0002","32.1958","0.0008","9.1787","0.0002","90","","90","","90","","3664.42","0.13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H6 Cu I N2 S -","- C6 H6 Cu I N2 S -","- C96 H96 Cu16 I16 N32 S16 -","16","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0183","0.0168","","","0.0399","0.0405","","","","","","1.001","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240910","43.5467","0.0012","24.859","0.0007","4.3222","0.0001","90","","90","","90","","4678.9","0.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H9 Cl3 N2 Pb -","- C8 H9 Cl3 N2 Pb -","- C128 H144 Cl48 N32 Pb16 -","16","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.026","0.0204","","","0.0304","0.0318","","","","","","0.875","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7241263","44.3599","0.0014","22.7723","0.0006","7.0406","0.0004","90","","90","","90","","7112.3","0.5","150.01","0.1","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0464","0.0411","","","0.0822","0.0843","","","","","","1.079","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241264","44.405","0.002","22.8205","0.0011","7.0822","0.0007","90","","90","","90","","7176.7","0.9","200","0.1","200","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0535","0.0463","","","0.091","0.0944","","","","","","1.092","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241266","44.6586","0.0017","22.6565","0.0007","6.8837","0.0004","90","","90","","90","","6965","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0389","0.0357","","","0.0751","0.0764","","","","","","1.097","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241267","48.482","0.0018","22.8029","0.0009","6.746","0.0003","90","","90","","90","","7457.9","0.5","260","2","260","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-propenoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0965","0.06","","","0.0921","0.107","","","","","","1.054","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241268","48.2476","0.0011","22.8006","0.0006","6.6691","0.0002","90","","90","","90","","7336.5","0.3","150","2","150","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-prop-enoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0412","0.0351","","","0.0753","0.078","","","","","","1.048","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7242168","24.5759","0.0011","39.5254","0.0018","7.5072","0.0003","90","","90","","90","","7292.3","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C240 H352 Co8 N48 O32 P16 S32 -","8","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0199","0.0197","","","0.0545","0.0546","","","","","","1.113","","","","has coordinates","263719","2021-04-05","14:33:10",""
"7242366","20.3657","0.0015","33.018","0.003","10.0713","0.0008","90","","90","","90","","6772.3","1","423","2","423","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0805","0.044","","","0.1112","0.1261","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242367","20.1201","0.0018","32.676","0.003","10.0411","0.0008","90","","90","","90","","6601.5","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0501","0.0379","","","0.0989","0.1046","","","","","","1.004","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242368","20.087","0.003","32.633","0.005","10.0097","0.0018","90","","90","","90","","6561.3","1.8","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 D2 O6 P2 S -","- C36 H30 D2 O6 P2 S -","- C288 H240 D16 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.2133","0.0785","","","0.1566","0.2011","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242560","26.3729","0.0018","43.882","0.004","20.6839","0.0016","90","","90","","90","","23937","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H52 Cl2 N14 Ni2 O8 -","- C30 H52 Cl2 N14 Ni2 O8 -","- C720 H1248 Cl48 N336 Ni48 O192 -","24","1.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.1392","0.0974","","","0.2417","0.2737","","","","","","1.027","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242587","62.21","0.008","17.713","0.002","5.2259","0.0007","90","","90","","90","","5758.6","1.3","301","2","301","2","","","","","","","","5","F d d 2","F 2 -2d","43","ORGANIC","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C256 H224 Cl16 N16 O48 -","16","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.1448","0.0635","","","0.1328","0.173","","","","","","1.009","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7243274","19.052","0.002","59.023","0.007","4.0392","0.0005","90","","90","","90","","4542.1","0.9","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H16 Cd I2 N8 O2 -","- C20 H16 Cd I2 N8 O2 -","- C160 H128 Cd8 I16 N64 O16 -","8","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.025","0.0244","","","0.0655","0.0656","","","","","","1.467","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7244267","13.6704","0.0006","17.4161","0.0008","19.5839","0.001","90","","90","","90","","4662.6","0.4","120","0.14","120","0.14","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H26 Cl N5 O6 -","- C23 H26 Cl N5 O6 -","- C184 H208 Cl8 N40 O48 -","8","0.5","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0573","0.0538","","","0.1434","0.1482","","","","","","1.06","","","","has coordinates,has disorder","272181","2022-01-21","02:14:11",""
"7244298","21.1103","0.0013","21.6232","0.0014","8.7121","0.0006","90","","90","","90","","3976.8","0.4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","tetramethyl 1,4(1,4)-dibenzenacyclohexaphane-1^2^,1^5^-diylbis(phosphonate)","","- C20 H26 O6 P2 -","- C20 H26 O6 P2 -","- C160 H208 O48 P16 -","8","0.5","","Oßwald, Simon; Zippel, Christoph; Hassan, Zahid; Nieger, Martin; Bräse, Stefan","C–P bond formation of cyclophanyl-, and aryl halides via a UV-induced photo Arbuzov reaction: a versatile portal to phosphonate-grafted scaffolds","RSC Advances","2022","12","6","3309","3312","10.1039/D2RA00094F","","","1.54178","CuKα","","0.0213","0.0213","","","0.0599","0.0599","","","","","","1.121","","","","has coordinates","272241","2022-01-26","02:09:38",""
"7245138","50.83","0.004","5.9067","0.0004","32.66","0.002","90","","90","","90","","9805.8","1.2","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","bis(μ-4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile))-silver(I) trifluoromethanesulfonate","","- C59 H36 Ag F3 N4 O7 S -","- C59 H36 Ag F3 N4 O7 S -","- C472 H288 Ag8 F24 N32 O56 S8 -","8","0.5","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.1051","0.0767","","","0.141","0.1482","","","","","","1.22","","","","has coordinates","276548","2022-07-04","22:31:20",""
"7245353","27.42","0.07","27.513","0.018","10.435","0.007","90","","90","","90","","7872","2","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H14 Cu F3 N3 O6 S -","- C18 H14 Cu F3 N3 O6 S -","- C288 H224 Cu16 F48 N48 O96 S16 -","16","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0444","0.0362","","","0.0819","0.0855","","","","","","1.041","","","","has coordinates","277301","2022-08-18","01:13:37",""
"7247660","16.7363","0.0003","24.621","0.0005","8.8062","0.0002","90","","90","","90","","3628.72","0.13","125","","125","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H26 Mo2 O11 -","- C12 H26 Mo2 O11 -","- C96 H208 Mo16 O88 -","8","0.5","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0485","0.0309","","","0.0448","0.0487","","","","","","1.01","","","","has coordinates","287242","2023-11-02","02:30:44",""
"7247727","37.7194","0.0004","16.9142","0.0002","9.49011","0.00012","90","","90","","90","","6054.63","0.12","294.6","0.1","294.6","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H16 F2 N2 O -","- C17 H16 F2 N2 O -","- C272 H256 F32 N32 O16 -","16","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","1.54184","CuKα","","0.0335","0.0323","","","0.0859","0.0871","","","","","","1.051","","","","has coordinates","288818","2024-01-06","08:22:54",""
"7247904","24.217","0.003","42.642","0.004","8.474","0.001","90","","90","","90","","8750.8","1.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H24 Br F N4 O2 -","- C22 H24 Br F N4 O2 -","- C352 H384 Br16 F16 N64 O32 -","16","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0427","0.0349","","","0.0797","0.0828","","","","","","1.046","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7248288","28.3208","0.0013","39.2416","0.0017","16.2646","0.0006","90","","90","","90","","18075.7","1.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C288 H248 Dy16 O160 -","- C288 H248 Dy16 O160 -","- C576 H496 Dy32 O320 -","2","0.125","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0288","0.0259","","","0.0665","0.0684","","","","","","1.058","","","","has coordinates,has disorder","290890","2024-04-04","23:07:44",""
"7248547","25.653","0.016","38.97","0.02","8.972","0.006","90","","90","","90","","8969","9","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H23 Cl N2 O8 Zn2 -","- C16 H23 Cl N2 O8 Zn2 -","- C256 H368 Cl16 N32 O128 Zn32 -","16","1","","Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik","The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates","RSC Advances","2024","14","20","13905","13914","10.1039/D4RA00550C","","","0.71073","MoKα","","0.0441","0.0378","","","0.1044","0.1158","","","","","","1.129","","","","has coordinates","291376","2024-04-27","01:07:51",""
"7248586","22.635","0.004","18.2458","0.0018","8.4549","0.0012","90","","90","","90","","3491.8","0.9","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 N2 O2 S -","- C8 H8 N2 O2 S -","- C128 H128 N32 O32 S16 -","16","1","","Shaiwale, Mayuri; Narayan, Som; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","","","","","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0998","0.1035","","","","","","1.1032","","","","has coordinates","291742","2024-05-06","22:42:35",""
"7700414","36.157","0.0013","39.5961","0.0014","6.7201","0.0002","90","","90","","90","","9621","0.6","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C27 H23 B Br2 F2 N2 -","- C27 H23 B Br2 F2 N2 -","- C432 H368 B16 Br32 F32 N32 -","16","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","","1.54178","CuKα","","0.0534","0.0481","","","0.1236","0.1276","","","","","","1.037","","","","has coordinates,has disorder","224346","2020-10-21","18:00:00",""
"7701368","38.814","0.006","53.264","0.008","9.9806","0.0015","90","","90","","90","","20634","5","150","2","150.15","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C39 H50 Ag7 F3 N2 O8 S -","- C39 H50 Ag7 F3 N2 O8 S -","- C624 H800 Ag112 F48 N32 O128 S16 -","16","1","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.0768","0.0645","","","0.1276","0.1321","","","","","","1.119","","","","has coordinates","219347","2020-10-21","18:00:00",""
"7701640","13.273","0.003","46.113","0.009","9.1517","0.0018","90","","90","","90","","5601","2","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H34 Cl2 Co N3 -","- C30 H34 Cl2 Co N3 -","- C240 H272 Cl16 Co8 N24 -","8","0.5","","Wang, Zheng; Ma, Yanping; Guo, Jingjing; Liu, Qingbin; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bis(imino)pyridines fused with 6- and 7-membered carbocylic rings as N,N,N-scaffolds for cobalt ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2582","2591","10.1039/c8dt04892d","","","0.71073","MoKα","","0.0628","0.0598","","","0.1418","0.1442","","","","","","1.0495","","","","has coordinates,has disorder","223325","2020-10-21","18:00:00",""
"7702332","52.305","0.004","12.088","0.001","12.785","0.001","90","","90","","90","","8083.5","1.1","213","2","213","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C17 H15 Ag Cu N5 S2 -","- C17 H15 Ag Cu N5 S2 -","- C272 H240 Ag16 Cu16 N80 S32 -","16","1","","Krautscheid, Harald; Emig, Norbert; Klaassen, Nicole; Seringer, Petra","Thiocyanato complexes of the coinage metals: synthesis and crystal structures of the polymeric pyridine complexes [Ag xCuy(SCN)x + y(py)z]","Journal of the Chemical Society, Dalton Transactions","1998","","18","3071","","10.1039/a803468k","","","0.71069","MoKa","","0.0578","0.0349","","0.0739","0.0594","","","","1.153","1.056","1.056","","","","","has coordinates","243827","2020-10-21","18:00:00",""
"7702405","33.463","0.002","35.0765","0.0018","4.0449","0.0002","90","","90","","90","","4747.8","0.4","200","3","200","3","","","","","","","crystal provided by C. Janiak (Uni FR)","5","F d d 2","F 2 -2d","43","2,2'-dimethyl-4,4'-bipyrimidine.CuI","catena-(2,2'-dimethyl-4,4'-bipyrimidine)-μ-iodo-copper(I)","","- C10 H10 Cu I N4 -","- C10 H10 Cu I N4 -","- C160 H160 Cu16 I16 N64 -","16","1","","Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.","Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3121","","10.1039/a904829d","","","0.71073","MoKα","","0.0239","0.0215","","","0.0494","0.0501","","","","","","1.057","","","","has coordinates","243856","2020-10-21","18:00:00",""
"7702834","20.28","0.002","34.103","0.004","9.42","0.0014","90","","90","","90","","6515","1.4","203","2","203","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H45 Cr N4 -","- C35 H45 Cr N4 -","- C280 H360 Cr8 N32 -","8","0.5","","Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Chromium complexes bearing pyrrolide-imine N,N-chelate ligands: synthesis, structures and ethylene polymerisation behaviourElectronic supplementary information (ESI) available: a plot of the molecular structure of 3a. See http://www.rsc.org/suppdata/dt/b2/b204568k/","Journal of the Chemical Society, Dalton Transactions","2002","","21","4017","","10.1039/b204568k","","","0.71073","MoKα","","0.0781","0.0488","","0.1068","0.0938","","","","1.049","1.061","1.061","","","","","has coordinates","244034","2020-10-21","18:00:00",""
"7702835","19.82","0.004","34.304","0.009","9.969","0.003","90","","90","","90","","6778","3","203","2","203","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C36 H47 Cr N4 -","- C36 H47 Cr N4 -","- C288 H376 Cr8 N32 -","8","0.5","","Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Chromium complexes bearing pyrrolide-imine N,N-chelate ligands: synthesis, structures and ethylene polymerisation behaviourElectronic supplementary information (ESI) available: a plot of the molecular structure of 3a. See http://www.rsc.org/suppdata/dt/b2/b204568k/","Journal of the Chemical Society, Dalton Transactions","2002","","21","4017","","10.1039/b204568k","","","0.71073","MoKα","","0.1557","0.0989","","0.3273","0.2562","","","","1.027","1.048","1.048","","","","","has coordinates","244034","2020-10-21","18:00:00",""
"7703425","21.017","0.002","36.775","0.004","9.2521","0.001","90","","90","","90","","7150.9","1.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","compound 1","Mg(OR)2(THF)2","","- C19 H31 Mg0.5 O2 -","- C19 H31 Mg0.5 O2 -","- C304 H496 Mg8 O32 -","16","1","","Wannipurage, Duleeka; Hollingsworth, Thilini S.; Santulli, Federica; Cozzolino, Mariachiara; Lamberti, Marina; Groysman, Stanislav; Mazzeo, Mina","Synthesis of a mononuclear magnesium bis(alkoxide) complex and its reactivity in the ring-opening copolymerization of cyclic anhydrides with epoxides.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2715","2723","10.1039/c9dt04274a","","","0.71073","MoKα","","0.1009","0.0525","","","0.0917","0.1065","","","","","","1.004","","","","has coordinates","248921","2020-10-21","18:00:00",""
"7703650","17.374","0.003","28.891","0.006","16.217","0.003","90","","90","","90","","8140","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H36 Fe N10 O6 -","- C44 H36 Fe N10 O6 -","- C352 H288 Fe8 N80 O48 -","8","0.5","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1485","1491","10.1039/c9dt03946e","","","0.71073","MoKα","","0.0394","0.0321","","","0.0662","0.0689","","","","","","1.018","","","","has coordinates","248764","2020-10-21","18:00:00",""
"7704080","35.673","0.0005","33.4826","0.0005","19.7402","0.0002","90","","90","","90","","23578.2","0.5","100","2","100","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C61.25 H55.75 Cl1.5 F6 Ir N5 O2.12 P S2 -","- C61.25 H55.75 Cl1.5 F6 Ir N5 O2.125 P S2 -","- C980 H892 Cl24 F96 Ir16 N80 O34 P16 S32 -","16","1","","Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.","Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6751","6763","10.1039/d0dt00568a","","x-ray","1.54184","CuKα","","0.0617","0.061","","","0.1578","0.159","","","","","","1.067","","","","has coordinates,has disorder","252790","2020-10-21","18:00:00",""
"7704094","63.3792","0.0017","58.8576","0.0015","9.7929","0.0002","90","","90","","90","","36530.9","1.5","113","2","113","2","","","","","","","","7","F d d 2","F 2 -2d","43","[(3-chlorobenzoato)aquatris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate","[Ni(mCBA)(TOAMe2)(OH2)](BPh4)","","- C49 H56 B Cl N4 Ni O6 -","- C49 H56 B Cl N4 Ni O6 -","- C1568 H1792 B32 Cl32 N128 Ni32 O192 -","32","2","","Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","6108","6118","10.1039/d0dt00733a","","","0.71073","MoKα","","0.0394","0.037","","","0.0757","0.077","","","","","","1.152","","","","has coordinates","252817","2020-10-21","18:00:00",""
"7704334","26.0916","0.001","44.773","0.002","24.543","0.001","90","","90","","90","","28671","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40.5 H81 Au8 Cl N8 S16 -","- C40.5 H81 Au8 Cl N8 S16 -","- C648 H1296 Au128 Cl16 N128 S256 -","16","1","","Le, Hai Van; Babak, Maria V.; Ehsan, Muhammad Ali; Altaf, Muhammad; Reichert, Lisa; Gushchin, Artem L.; Ang, Wee Han; Isab, Anvarhusein A.","Highly cytotoxic gold(i)-phosphane dithiocarbamate complexes trigger an ER stress-dependent immune response in ovarian cancer cells.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7355","7363","10.1039/d0dt01411g","","","0.71073","MoKα","","0.043","0.0284","","","0.0434","0.0463","","","","","","1.021","","","","has coordinates","253880","2020-10-21","18:00:00",""
"7704508","59.1004","0.0011","34.6994","0.0006","12.38327","0.00019","90","","90","","90","","25395","0.8","106.05","0.13","106.05","0.13","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C22.36 H35.49 Cl2.75 Mo N3 O4 P3 -","- C22.361 H34.682 Cl2.742 Mo N3 O4 P3 -","- C715.552 H1109.82 Cl87.744 Mo32 N96 O128 P96 -","32","2","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0503","0.0471","","","0.1077","0.1093","","","","","","1.096","","","","has coordinates,has disorder","253867","2020-10-21","18:00:00",""
"7704638","16.8082","0.0007","40.829","0.002","12.5096","0.0007","90","","90","","90","","8584.9","0.7","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","Os(^Ph^ap)~2~Cl~2~ . CDCl~3~","Cis-bis-(2-(phenylimido)-4,6-di-tert-butylphenoxo)dichloroosmium(VI) chloroform solvate","","- C41 H50 Cl5 D N2 O2 Os -","- C41 H50 Cl5 D N2 O2 Os -","- C328 H400 Cl40 D8 N16 O16 Os8 -","8","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0156","0.014","","","0.0322","0.0327","","","","","","1.047","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704639","16.763","0.0014","40.36","0.004","12.3474","0.0014","90","","90","","90","","8353.7","1.4","120","2","120","2","","","","","","","","7","F d d 2","F 2 -2d","43","Os(^Ph^ap)~2~Cl~2~ . CD~2~Cl~2~","Cis-bis-(2-(phenylimido)-4,6-di-tert-butylphenoxo)dichloroosmium(VI) deuterodichloromethane solvate","","- C41 H50 Cl4 D2 N2 O2 Os -","- C41 H50 Cl4 D2 N2 O2 Os -","- C328 H400 Cl32 D16 N16 O16 Os8 -","8","0.5","","Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.","High-valent osmium iminoxolene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8504","8515","10.1039/d0dt01735c","","","0.71073","MoKα","","0.0322","0.0256","","","0.0472","0.0488","","","","","","1.057","","","","has coordinates,has disorder","253897","2020-10-21","18:00:00",""
"7704712","80.256","0.0012","29.4338","0.0005","10.7141","0.0002","90","","90","","90","","25309.3","0.7","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C49 H37.5 Al F36.5 Ge N4 O4 -","- C49 H37.5 Al F36.5 Ge N4 O4 -","- C784 H600 Al16 F584 Ge16 N64 O64 -","16","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.1172","0.1155","","","0.326","0.3316","","","","","","1.65","","","","has coordinates,has disorder","254978","2020-10-21","18:00:00",""
"7705079","9.9233","0.0007","30.274","0.002","8.5537","0.0006","90","","90","","90","","2569.7","0.3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ag K S3 Sn -","- Ag K S3 Sn -","- Ag16 K16 S48 Sn16 -","16","1","","Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin","Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11708","11714","10.1039/d0dt02513e","","","0.71073","MoKα","","0.0483","0.0449","","","0.134","0.154","","","","","","1.19","","","","has coordinates","256082","2020-10-21","18:00:00",""
"7705156","26.346","0.004","53.628","0.007","9.5813","0.0013","90","","90","","90","","13537","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H43 F6 Ir N7 P -","- C30 H29 F6 Ir N7 P -","- C480 H464 F96 Ir16 N112 P16 -","16","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0624","0.0538","","","0.1348","0.139","","","","","","1.032","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705527","46.817","0.001","20.7265","0.0005","7.2786","0.0001","90","","90","","90","","7062.8","0.2","295","2","295","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C16 H12 Cl2 Cu F N3 O S -","- C16 H12 Cl2 Cu F N3 O S -","- C256 H192 Cl32 Cu16 F16 N48 O16 S16 -","16","1","","Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena","Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14528","14535","10.1039/d0dt02817g","","","1.54186","CuKα","","0.0711","0.0397","","","0.0794","0.0877","","","","","","0.903","","","","has coordinates","258783","2020-11-06","11:56:09",""
"7705611","29.5244","0.0005","28.5111","0.0005","11.30808","0.00018","90","","90","","90","","9518.8","0.3","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C48 H60 Au2 I2 O2 P2 -","- C48 H60 Au2 I2 O2 P2 -","- C384 H480 Au16 I16 O16 P16 -","8","0.5","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0142","0.0134","","","0.0287","0.0288","","","","","","1.034","","","","has coordinates","260743","2021-01-07","06:15:13",""
"7705618","16.8262","0.0016","20.1636","0.0016","55.633","0.006","90","","90","","90","","18875","3","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C64 H94 Cl4 N8 O16 Pd2 Si8 -","- C64 H94 Cl4 N8 O16 Pd2 Si8 -","- C512 H752 Cl32 N64 O128 Pd16 Si64 -","8","0.5","","Lee, Jeyeong; Lim, Sangwoo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Flexibility and anion exchange of [(X)@Pd<sub>2</sub>L<sub>4</sub>] cages for recognition of size and charge of polyatomic anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15002","15008","10.1039/d0dt03005h","","","0.71073","MoKα","","0.0774","0.0602","","","0.178","0.1996","","","","","","1.037","","","","has coordinates,has disorder","258803","2020-11-06","12:02:03",""
"7705678","39.4865","0.0013","36.1344","0.0015","12.8743","0.0006","90","","90","","90","","18369.3","1.3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Ga(PCO)(Me2IPr)[(NDipp)2C12H5]*0.5tol","","- C51.5 H64 Ga N4 O P -","- C51.5 H64 Ga N4 O P -","- C824 H1024 Ga16 N64 O16 P16 -","16","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0671","0.0491","","","0.1208","0.1394","","","","","","1.013","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7706119","30.49","0.002","32.625","0.002","12.8127","0.0008","90","","90","","90","","12745.3","1.4","130","2","130","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H40.5 I N2.5 O0.5 P -","- C27 H38 I N2 P -","- C432 H608 I16 N32 P16 -","16","1","","Cicač-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","Proton transfer vs. oligophosphine formation by P-C/P-H σ-bond metathesis: decoding the competing Brønsted and Lewis type reactivities of imidazolio-phosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17401","17413","10.1039/d0dt03633a","","","0.71073","MoKα","","0.0688","0.0647","","","0.1886","0.1944","","","","","","1.106","","","","has coordinates,has disorder","259993","2020-12-19","03:23:30",""
"7706680","32.353","0.005","35.316","0.006","13.8018","0.0019","90","","90","","90","","15770","4","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C70 H54 N31 O21 Tb3 -","- C70 H54 N31 O21 Tb3 -","- C560 H432 N248 O168 Tb24 -","8","0.5","","De, Avik; Bala, Sukhen; Saha, Sayan; Das, Krishna Sundar; Akhtar, Sohel; Adhikary, Amit; Ghosh, Arijit; Huang, Guo-Zhang; Chowdhuri, Srijita Paul; Das, Benu Brata; Tong, Ming-Liang; Mondal, Raju","Lanthanide clusters of phenanthroline containing a pyridine-pyrazole based ligand: magnetism and cell imaging.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3593","3609","10.1039/d0dt04122j","","","0.71073","MoKα","","0.0841","0.068","","","0.1633","0.1773","","","","","","1.105","","","","has coordinates","263742","2021-04-05","14:43:22",""
"7706681","32.418","0.002","35.298","0.003","13.7654","0.0009","90","","90","","90","","15751.6","1.9","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C70 H54 Gd3 N31 O21 -","- C70 H54 Gd3 N31 O21 -","- C560 H432 Gd24 N248 O168 -","8","0.5","","De, Avik; Bala, Sukhen; Saha, Sayan; Das, Krishna Sundar; Akhtar, Sohel; Adhikary, Amit; Ghosh, Arijit; Huang, Guo-Zhang; Chowdhuri, Srijita Paul; Das, Benu Brata; Tong, Ming-Liang; Mondal, Raju","Lanthanide clusters of phenanthroline containing a pyridine-pyrazole based ligand: magnetism and cell imaging.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3593","3609","10.1039/d0dt04122j","","","0.71073","MoKα","","0.0626","0.0436","","","0.096","0.1062","","","","","","1.08","","","","has coordinates","263742","2021-04-05","14:43:23",""
"7706682","32.535","0.004","35.366","0.004","13.8372","0.0017","90","","90","","90","","15922","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C70 H54 Eu3 N31 O21 -","- C70 H54 Eu3 N31 O21 -","- C560 H432 Eu24 N248 O168 -","8","0.5","","De, Avik; Bala, Sukhen; Saha, Sayan; Das, Krishna Sundar; Akhtar, Sohel; Adhikary, Amit; Ghosh, Arijit; Huang, Guo-Zhang; Chowdhuri, Srijita Paul; Das, Benu Brata; Tong, Ming-Liang; Mondal, Raju","Lanthanide clusters of phenanthroline containing a pyridine-pyrazole based ligand: magnetism and cell imaging.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3593","3609","10.1039/d0dt04122j","","","0.71073","MoKα","","0.0567","0.0426","","","0.0995","0.1104","","","","","","1.004","","","","has coordinates","263742","2021-04-05","14:43:23",""
"7706707","49.083","0.0004","37.3456","0.0003","11.7395","0.0001","90","","90","","90","","21518.9","0.3","100","0.1","100","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C52.5 H46 Cl3 Cu4 I3 N3 P3 -","- C52.5 H46 Cl3 Cu4 I3 N3 P3 -","- C840 H736 Cl48 Cu64 I48 N48 P48 -","16","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0232","0.0214","","","0.0564","0.0569","","","","","","1.051","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706771","29.9985","0.001","35.3057","0.0012","9.0129","0.0003","90","","90","","90","","9545.7","0.6","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C44 H52 Mn N10 Ni2 O10 -","- C44 H52 Mn N10 Ni2 O10 -","- C352 H416 Mn8 N80 Ni16 O80 -","8","0.5","","Maity, Souvik; Mahapatra, Prithwish; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Synthesis of Ni(II)-Mn(II) complexes using a new mononuclear Ni(II) complex of an N2O3 donor unsymmetrical ligand: structures, magnetic properties and catalytic oxidase activity","Dalton Transactions","2021","","","","","10.1039/D0DT04337K","","","0.71073","MoKα","","0.0297","0.0262","","","0.0707","0.0801","","","","","","1.117","","","","has coordinates","262733","2021-03-05","03:51:43",""
"7707396","15.987","0.014","9.949","0.008","15.258","0.008","90","","90","","90","","2427","3","301","2","301.01","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H22 N2 O16 P4 Zn2 -","- C8 H21.96 N2 O16 P4 Zn2 -","- C32 H87.84 N8 O64 P16 Zn8 -","4","0.25","","Yu, Jing-Wei; Yu, Hai-Jiao; Ren, Qiu; Zhang, Jin; Zou, Yang; Luo, Hong-Bin; Wang, Lifeng; Ren, Xiao-Ming","Humidity-sensitive irreversible phase transformation of open-framework zinc phosphate and its water-assisted high proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8070","8075","10.1039/d1dt00296a","","","0.71073","MoKα","","0.0321","0.0309","","","0.0884","0.0896","","","","","","1.186","","","","has coordinates,has disorder","267193","2021-07-05","17:43:55",""
"7707417","29.938","0.0007","18.6991","0.0004","13.9399","0.0003","90","","90","","90","","7803.7","0.3","153","","153","","","","","","","","","6","F d d 2","F 2 -2d","43","","2,2'-((2-bromophenyl)(methoxy)methylene)bis(benzo[d]thiazole)","","- C22 H15 Br N2 O S2 -","- C22 H15 Br N2 O S2 -","- C352 H240 Br16 N32 O16 S32 -","16","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71073","MoKα","","0.0406","0.0389","","","0.1011","0.1022","","","","","","1.051","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7708082","15.7319","0.0006","46.3383","0.0014","6.1947","0.0002","90","","90","","90","","4515.9","0.3","250","","250","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H20 Cu F2 N2 O5 -","- C24 H20 Cu F2 N2 O5 -","- C192 H160 Cu8 F16 N16 O40 -","8","0.5","","Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02118D","","","1.54187","CuKα","","0.0423","0.0395","","","0.1022","0.1077","","","","","","0.95","","","","has coordinates","268130","2021-08-18","22:58:46",""
"7708092","20.312","0.002","48.543","0.004","19.898","0.002","90","","90","","90","","19620","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C53 H66 Al I2 N3 -","- C53 H66 Al I2 N3 -","- C848 H1056 Al16 I32 N48 -","16","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","0.71073","MoKα","","0.0567","0.045","","","0.1041","0.1115","","","","","","1.059","","","","has coordinates,has disorder","269724","2021-10-06","15:41:16",""
"7708230","13.071","0.0004","52.6293","0.0018","7.531","0.0002","90","","90","","90","","5180.7","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H14 N O2 Se -","- C15 H14 N O2 Se -","- C240 H224 N16 O32 Se16 -","16","1","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.0498","0.0364","","","0.0623","0.0659","","","","","","0.963","","","","has coordinates","269037","2021-09-07","22:56:22",""
"7708231","12.7891","0.0007","97.971","0.007","8.3096","0.0005","90","","90","","90","","10411.6","1.1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H28 N2 O2 Se2 -","- C30 H28 N2 O2 Se2 -","- C480 H448 N32 O32 Se32 -","16","1","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.0965","0.0498","","","0.0752","0.0847","","","","","","1.062","","","","has coordinates","269037","2021-09-07","22:56:23",""
"7708506","8.5329","0.0004","34.8978","0.0014","52.933","0.002","90","","90","","90","","15762.4","1.1","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33 H22 Eu N O10 -","- C33 H22 Eu N O10 -","- C528 H352 Eu16 N16 O160 -","16","1","","Zhang, Mengyao; Yi, Fengying; Liu, Lanjun; Yan, Guoping; Liu, Hui; Guo, Junfang","An europium(III) metal–organic framework as a multi-responsive luminescent sensor for highly sensitive and selective detection of 4‐nitrophenol , I– and Fe3+ in water","Dalton Transactions","2021","","","","","10.1039/D1DT02312H","","","0.71073","MoKα","","0.0553","0.039","","","0.0807","0.0855","","","","","","0.915","","","","has coordinates","269451","2021-10-02","23:01:32",""
"7708521","15.9862","0.0005","40.2342","0.0008","14.6279","0.0003","90","","90","","90","","9408.5","0.4","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C29 H22 F6 Fe2 O -","- C29 H22 F6 Fe2 O -","- C464 H352 F96 Fe32 O16 -","16","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.0264","0.0238","","","0.0577","0.0589","","","","","","1.024","","","","has coordinates","269806","2021-10-06","23:12:18",""
"7709724","29.677","0.018","47.38","0.03","13.027","0.009","90","","90","","90","","18317","2","300","2","300.01","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C68 H74 B4 Fe4 N26 O2 P2 -","- C68 H74 B4 Fe4 N26 O2 P2 -","- C544 H592 B32 Fe32 N208 O16 P16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.0669","0.052","","","0.1198","0.1271","","","","","","1.026","","","","has coordinates","273628","2022-03-11","00:08:53",""
"7709725","28.913","0.005","47.393","0.008","13.02","0.002","90","","90","","90","","17841","5","100","","100","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C68 H74 B4 Fe4 N26 O2 P2 -","- C68 H74 B4 Fe4 N26 O2 P2 -","- C544 H592 B32 Fe32 N208 O16 P16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.0274","0.0257","","","0.0629","0.0637","","","","","","1.02","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7709726","29.79","0.03","47.45","0.06","13.324","0.017","90","","90","","90","","18834","4","300","","300","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C68 H68 B2 Fe4 N26 O2 P2 Se2 -","- C68 H68 B2 Fe4 N26 O2 P2 Se2 -","- C544 H544 B16 Fe32 N208 O16 P16 Se16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.1324","0.0592","","","0.1254","0.1596","","","","","","0.912","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7709727","28.952","0.013","47.23","0.02","13.137","0.007","90","","90","","90","","17964","15","99.99","","99.99","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C74 H78 B2 Cl4 Fe4 N28 O3 P2 Se2 -","- C74 H78 B2 Cl4 Fe4 N28 O3 P2 Se2 -","- C592 H624 B16 Cl32 Fe32 N224 O24 P16 Se16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.1312","0.0855","","","0.21","0.248","","","","","","1.016","","","","has coordinates,has disorder","273628","2022-03-11","00:08:54",""
"7709728","29.674","0.005","47.644","0.009","13.108","0.003","90","","90","","90","","18532","6","300.01","","300.01","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C69.09 H72.37 B2 Fe4 N26 O3.09 P2 S2 -","- C69.1 H72.4 B2 Fe4 N26 O3.1 P2 S2 -","- C552.8 H579.2 B16 Fe32 N208 O24.8 P16 S16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","x-ray","0.71073","MoKα","","0.0443","0.0397","","","0.1112","0.1163","","","","","","1.057","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7709729","28.476","0.003","47.057","0.004","13.3974","0.0014","90","","90","","90","","17952","3","101","2","101","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C68 H68 B2 Fe4 N26 O2 P2 S2 -","- C68 H68 B2 Fe4 N26 O2 P2 S2 -","- C544 H544 B16 Fe32 N208 O16 P16 S16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.0296","0.028","","","0.0687","0.0697","","","","","","1.01","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7710279","30.1857","0.0005","34.568","0.0005","13.7013","0.0002","90","","90","","90","","14296.7","0.4","133","2","133","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C86 H96 Ca N2 O5 -","- C86 H96 Ca N2 O5 -","- C688 H768 Ca8 N16 O40 -","8","0.5","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0532","0.0454","","","0.0859","0.0897","","","","","","1.078","","","","has coordinates","275463","2022-05-16","22:58:49",""
"7710753","32.09","0.002","14.1367","0.0011","10.1458","0.0008","90","","90","","90","","4602.6","0.6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H28 Ca N2 O4 S2 -","- C18 H28 Ca N2 O4 S2 -","- C144 H224 Ca8 N16 O32 S16 -","8","0.5","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","x-ray","0.71073","MoKα","","0.1401","0.0692","","","0.1177","0.1507","","","","","","1.058","","","","has coordinates","276839","2022-07-23","00:15:33",""
"7710824","38.1509","0.0008","33.3659","0.0008","7.9763","0.0001","90","","90","","90","","10153.3","0.3","150","0.1","150","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C21 H29 B Br Mo N6 O2 -","- C21 H29 B Br Mo N6 O2 -","- C336 H464 B16 Br16 Mo16 N96 O32 -","16","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0463","0.0454","","","0.1105","0.1111","","","","","","1.065","","","","has coordinates,has disorder","276970","2022-07-27","22:54:11",""
"7710927","43.937","0.002","12.285","0.0006","12.994","0.0006","90","","90","","90","","7013.7","0.6","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H24 Au O2 P S -","- C15 H24 Au O2 P S -","- C240 H384 Au16 O32 P16 S16 -","16","1","","Cirri, Damiano; Massai, Lara; Giacomelli, Chiara; Trincavelli, Maria Letizia; Guerri, Annalisa; Gabbiani, Chiara; Messori, Luigi; Pratesi, Alessandro","Synthesis, chemical characterization, and biological evaluation of a novel auranofin derivative as an anticancer agent","Dalton Transactions","2022","","","","","10.1039/D2DT00836J","","","0.71073","MoKα","","0.0288","0.0265","","","0.0617","0.0624","","","","","","1.194","","","","has coordinates","277158","2022-08-08","23:17:21",""
"7710944","13.7421","0.0007","26.2769","0.0012","15.0315","0.0007","90","","90","","90","","5427.9","0.4","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H24 Cl3 Cu3 N9 O3 -","- C15 H24 Cl3 Cu3 N9 O3 -","- C120 H192 Cl24 Cu24 N72 O24 -","8","0.5","","Liu, Tingting; Liu, Qian; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Tian, Guoxin","Reactivity of di(amidoxime) ligand in the presence of Cu(II)/Ni(II)","Dalton Transactions","2022","","","","","10.1039/D2DT02223K","","x-ray","0.71073","MoKα","","0.0515","0.0492","","","0.1287","0.1314","","","","","","1.089","","","","has coordinates","277198","2022-08-10","22:56:16",""
"7710982","52.0552","0.0006","51.4324","0.0005","7.14602","0.00008","90","","90","","90","","19132.2","0.4","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H23 Au N10 O2 S4 -","- C49 H23 Au N10 O2 S4 -","- C784 H368 Au16 N160 O32 S64 -","16","1","","Sahu, Kasturi; Angeloni, Sara; Conradie, Jeanet; Villa, Marco; Nayak, Manisha; Ghosh, Abhik; Ceroni, Paola; Kar, Sanjib","NIR-emissive, singlet-oxygen-sensitizing gold tetra(thiocyano)corroles","Dalton Transactions","2022","","","","","10.1039/D2DT01959K","","x-ray","1.54184","CuKα","","0.079","0.0707","","","0.1601","0.1633","","","","","","1.053","","","","has coordinates","277253","2022-08-15","22:59:43",""
"7712139","26.9142","0.0012","24.8726","0.0017","13.0916","0.0006","90","","90","","90","","8763.9","0.8","93","2","93","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C42 H46 Au2 B2 F8 N2 P2 -","- C42 H46 Au2 B2 F8 N2 P2 -","- C336 H368 Au16 B16 F64 N16 P16 -","8","0.5","","Osawa, Masahisa; Soma, Sakie; Kobayashi, Hiroyuki; Tanaka, Yuya; Hoshino, Mikio","Near-white light emission from single crystals of cationic dinuclear gold(I) complexes with bridged diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03785h","","x-ray","1.54184","CuKα","","0.0611","0.0605","","","0.1673","0.1682","","","","","","1.101","","","","has coordinates","280404","2023-01-17","23:54:38",""
"7712140","28.1116","0.0008","23.6525","0.0007","14.2329","0.0005","90","","90","","90","","9463.6","0.5","93","2","93","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C46 H56 Au2 B2 F8 N2 O P2 -","- C46 H56 Au2 B2 F8 N2 O P2 -","- C368 H448 Au16 B16 F64 N16 O8 P16 -","8","0.5","","Osawa, Masahisa; Soma, Sakie; Kobayashi, Hiroyuki; Tanaka, Yuya; Hoshino, Mikio","Near-white light emission from single crystals of cationic dinuclear gold(I) complexes with bridged diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03785h","","x-ray","1.54184","CuKα","","0.0239","0.0238","","","0.0616","0.0617","","","","","","1.073","","","","has coordinates","280404","2023-01-17","23:54:39",""
"7712541","36.2866","0.0007","8.7886","0.0002","14.5007","0.0003","90","","90","","90","","4624.4","0.17","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H15 Cl2 F6 N3 Pd -","- C22 H15 Cl2 F6 N3 Pd -","- C176 H120 Cl16 F48 N24 Pd8 -","8","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","","0.71073","MoKα","","0.015","0.0143","","","0.035","0.0355","","","","","","1.07","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7713066","21.7702","0.0006","21.957","0.0006","7.2513","0.0002","90","","90","","90","","3466.18","0.17","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C144 H192 N32 O16 -","16","1","","Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen","Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41","Dalton Transactions","2023","","","","","10.1039/D3DT01168B","","","1.54178","CuKα","","0.0354","0.0327","","","0.0778","0.0794","","","","","","1.072","","","","has coordinates","283841","2023-05-17","23:06:00",""
"7713130","21.7702","0.0006","21.957","0.0006","7.2513","0.0002","90","","90","","90","","3466.18","0.17","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C144 H192 N32 O16 -","16","1","","Théron, Benjamin; Vaillant-Coindard, Valentin; Balan, Cédric; Rousselin, Yoann; Bayardon, Jérôme; Malacea-Kabbara, Raluca; Le Gendre, Pierre","Al and Zn phenoxy-amidine complexes for lactide ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01216f","","","1.54178","CuKα","","0.0354","0.0327","","","0.0778","0.0794","","","","","","1.072","","","","has coordinates","283949","2023-05-22","23:01:47",""
"7713238","23.9295","0.0012","52.455","0.003","10.7669","0.0006","90","","90","","90","","13514.8","1.3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","Inorganic","","","- C37 H36 N3 O3 P Pd -","- C37 H36 N3 O3 P Pd -","- C592 H576 N48 O48 P16 Pd16 -","16","1","","Sekar, Pranesh Kavin; Rengan, Ramesh","Synthesis and Structure of Pd(II) Pincer Complexes: Catalytic Application to β-Alkylation of Secondary Alcohols Involving Sequential Dehydrogenation of Alcohols via Borrowing Hydrogen Approach","Dalton Transactions","2023","","","","","10.1039/D3DT01628E","","","0.71073","MoKα","","0.0541","0.034","","","0.1034","0.1267","","","","","","0.923","","","","has coordinates","284604","2023-06-29","10:40:05",""
"7713450","23.6804","0.0007","63.6047","0.0017","13.9335","0.0004","90","","90","","90","","20986.4","1","193","","193","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C37 H85 Cu2 I2 Mg2 N6 P4 -","- C37 H85 Cu2 I2 Mg2 N6 P4 -","- C592 H1360 Cu32 I32 Mg32 N96 P64 -","16","1","","Li, Yafei; Chen, Pengfei; Zhu, Qin; Zhu, Congqing","Magnesium Complexes Supported by Dianionic Double Layer Nitrogen-Phosphorus Ligand: Synthesis and Reactivity Study","Dalton Transactions","2023","","","","","10.1039/D3DT01657A","","","1.34139","GaKα","","0.0207","0.0191","","","0.0436","0.044","","","","","","1.044","","","","has coordinates,has disorder","285189","2023-07-12","23:05:05",""
"7714315","24.69","0.003","35.674","0.004","18.131","0.002","90","","90","","90","","15970","3","109","2","109","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C44 H66 N2 P2 -","- C44 H66 N2 P2 -","- C704 H1056 N32 P32 -","16","1","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.1","0.0703","","","0.1684","0.1942","","","","","","1.032","","","","has coordinates,has disorder","287119","2023-10-25","22:57:22",""
"7714879","31.1679","0.0012","30.6135","0.0011","8.4228","0.0005","90","","90","","90","","8036.7","0.6","150","0.1","150","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C44 H34 Ag Cl2 F6 N4 Sb -","- C44 H34 Ag Cl2 F6 N4 Sb -","- C352 H272 Ag8 Cl16 F48 N32 Sb8 -","8","0.5","","Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj; Lazic, Jelena; Skaro Bogojevic, Sanja; Vojnovic, Sandra; Zlatar, Matija; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Silver(I) complexes containing antifungal azoles: significant improvement of the anti-<i>Candida</i> potential of the azole drug after its coordination to the silver(I) ion.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2218","2230","10.1039/d3dt03010e","","x-ray","0.71073","MoKα","","0.0286","0.0252","","","0.0566","0.0582","","","","","","1.093","","","","has coordinates,has disorder","289476","2024-02-04","11:48:23",""
"7715627","22.504","0.003","44.633","0.006","10.4221","0.0016","90","","90","","90","","10468","3","273","","273","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H34 N2 O2 Pt -","- C32 H34 N2 O2 Pt -","- C512 H544 N32 O32 Pt16 -","16","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00273C","","","0.71075","MoKα","","0.0539","0.0394","","","0.0764","0.0813","","","","","","0.989","","","","has coordinates","290764","2024-04-03","22:55:56",""
"7715873","19.3808","0.0009","35.2814","0.0017","12.0315","0.0006","90","","90","","90","","8226.9","0.7","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 H28 Eu N2 Na O16 -","- C160 H448 Eu16 N32 Na16 O256 -","16","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting Impact of Coordination Polyhedra and Site Symmetry on the Electronic Energy Levels in Nine-coordinated Eu(III) and Sm(III) Crystals Structures Determined from Single Crystal Luminescence Spectra","Dalton Transactions","2024","","","","","10.1039/D4DT00157E","","","0.71073","MoKα","","0.0199","0.0193","","","0.0461","0.0464","","","","","","1.049","","","","has coordinates,has disorder","291411","2024-04-29","23:00:20",""
"7715874","19.459","0.003","35.397","0.006","12.032","0.002","90","","90","","90","","8288","2","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Sm -","- C10 H28 N2 Na O16 Sm -","- C160 H448 N32 Na16 O256 Sm16 -","16","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting Impact of Coordination Polyhedra and Site Symmetry on the Electronic Energy Levels in Nine-coordinated Eu(III) and Sm(III) Crystals Structures Determined from Single Crystal Luminescence Spectra","Dalton Transactions","2024","","","","","10.1039/D4DT00157E","","","0.71073","MoKα","","0.0268","0.0236","","","0.0505","0.0516","","","","","","1.013","","","","has coordinates,has disorder","291411","2024-04-29","23:00:20",""
"7715902","56.2329","0.0005","39.4759","0.0004","8.4977","0.0001","90","","90","","90","","18863.6","0.3","172.99","0.1","172.99","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 Ni -","- C30 H22 N6 Ni -","- C960 H704 N192 Ni32 -","32","2","","Cabrera-Lobera, Natalia; del Horno, Estefania; Quiros, M. Teresa; Buñuel, Elena; Gimeno, Magali; Brennessel, William W.; Neidig, Michael L.; Priego, Jose Luis; Cardenas, Diego J.","Ni(2,2’:6’,2’’-terpyridine)2: A high-spin octahedral formal Ni(0) complex","Dalton Transactions","2024","","","","","10.1039/D3DT04247B","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0928","0.0935","","","","","","1.061","","","","has coordinates","291442","2024-05-01","22:52:08",""
"7715936","10.6663","0.0001","39.1923","0.0005","15.0354","0.0002","90","","90","","90","","6285.35","0.13","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H34 Cu N4 O2 -","- C38 H34 Cu N4 O2 -","- C304 H272 Cu8 N32 O16 -","8","0.5","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00749b","","x-ray","1.54184","CuKα","","0.0224","0.0224","","","0.0599","0.0599","","","","","","1.079","","","","has coordinates","291467","2024-05-02","22:57:06",""
"8000178","21.332","0.005","22.771","0.005","7.9362","0.0018","90","","90","","90","","3855","1.5","93.1","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H18 N O -","- C9 H18 N O -","- C144 H288 N16 O16 -","16","1","","Yonekuta, Yasunori; Oyaizu, Kenichi; Nishide, Hiroyuki","Structural Implication of Oxoammonium Cations for Reversible Organic One-electron Redox Reaction to Nitroxide Radicals","Chemistry Letters","2007","36","7","866","","10.1246/cl.2007.866","","","0.71075","MoKα","","","0.0643","","","","0.065","","","","","","6.436","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100062","19.06","0.004","35.937","0.007","10.5708","0.0019","90","","90","","90","","7241","3","110","2","110","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C320 H288 O128 -","16","1","","Ramazani, Ali","Crystal structure of dimethyl 1,1-diacetyl-8a-hydroxy-8-oxo-1,2,8, 8a-tetrahydrocyclopenta[a]indene-2,3-dicarboxylate, C~20~H~18~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","177","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100160","39.856","0.004","19.0577","0.0012","10.5849","0.0008","90","","90","","90","","8039.8","1.2","160","2","160","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H20 Cl N3 O5 S -","- C20 H20 Cl N3 O5 S -","- C320 H320 Cl16 N48 O80 S16 -","16","1","","Dondas, H. Ali; Arslan, Hakan; Thornton-Pett, Mark","Crystal structure of 4-chloro-N-[2-(5-methyl-4,6-dioxo-3-phenyl-hexahydro- pyrrolo-[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide, C~20~H~20~ClN~3~O~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","363","364","","","","","","","","0.0606","","","0.1726","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100346","18.576","0.008","56.96","0.02","9.874","0.004","90","","90","","90","","10448","8","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21.88 H30 Co N5 O7 -","- C22 H30 Co N5 O7 -","- C352 H480 Co16 N80 O112 -","16","1","","Zhu, Hai-Liang; Liu, Xiu-Ying; Wang, Ya-Feng; Wang, Da-Qi","Crystal structure of bis[N-(2-(2-hydroxyethylamino)-ethyl)salicylideneimine] cobalt(III) nitrate, C~22~H~30~CoN~5~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100690","24.028","0.005","26.31","0.01","10.456","0.004","90","","90","","90","","6609","3","173","","173","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C21 H14 N4 -","- C21 H14 N4 -","- C336 H224 N64 -","16","1","","Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.","Crystal structure of 3-(E)-benzylidene-(1RS,2SR,5RS,6SR)-tricyclo- [4.2.2.0^2,5^]deca-7-ene-9,9,10,10-tetracarbonitrile, C~21~H~14~N~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","353","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100725","17.459","0.004","9.2002","0.0018","9.72","0.0019","90","","90","","90","","1561.3","0.5","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","(NH4)2 In[P2 O7 (OH)]","","","- H9 In N2 O8 P2 -","- H9 In N2 O8 P2 -","- H72 In8 N16 O64 P16 -","8","0.5","","Li, Man-Rong; Mao, Shao-Yu; Chen, Hao-Hong; Deng, Jin-Feng; Mi, Jin-Xiao; Zhao, Jing-Tai","Crystal structure of diammonium indium (monophosphate- monohydrogenmonophosphate), (NH~4~)~2~In[(PO~4~)(HPO~4~)]","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","309","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101700","19.6794","0.0005","20.7759","0.0006","12.6899","0.0003","90","","90","","90","","5188.4","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","pentafluorophenyl ferrocene","","- C16 H9 F5 Fe -","- C16 H9 F5 Fe -","- C256 H144 F80 Fe16 -","16","1","","K. Boubekeur; J.-L. Syssa-Magalé; P. Palvadeau; B. Schöllhorn","Crystal structure of pentafluorophenyl ferrocene, Fe(C~5~H~5~)(C~11~H~4~F~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","71","72","","","","0.71073","MoKα","","0.0963","0.0423","","","0.0781","0.0953","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102073","47.639","0.005","22.047","0.003","5.451","0.002","90","","90","","90","","5725","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","bis(4-bromo-2-((3-methylaminopropylimino)methyl)phenolato)cobalt(II) dinitrate","","- C22 H30 Br2 Co N6 O8 -","- C22 H30 Br2 Co N6 O8 -","- C176 H240 Br16 Co8 N48 O64 -","8","0.5","","Wang, N.; Pu, Y.-L.","Crystal structure of bis(4-bromo-2-((3-methylaminopropylimino)methyl) phenolato)cobalt(II) dinitrate, [Co(C~11~H~15~BrN~2~O)~2~][NO~3~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","523","524","","","","0.71073","MoKα","","0.0833","0.0532","","","0.112","0.1262","","","","","","1.03","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102258","18.259","0.003","21.261","0.003","9.1771","0.0013","90","","90","","90","","3562.6","0.9","291","2","291","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,2-Bis[2-methoxylphenyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C19 H14 F6 O2 -","- C19 H14 F6 O2 -","- C152 H112 F48 O16 -","8","0.5","","Qian-Li Huang; Cong-Bin Fan; Gang Liu; Shou-Zhi Pu","Crystal structure of 1,2-bis(2-methoxylphenyl)perfluorocyclopentene, C19H14F6O2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","209","","","","","0.71073","MoKα","","0.0594","0.0469","","","0.1183","0.1282","","","","","","1.064","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102303","15.644","0.01","44.19","0.03","11.027","0.007","90","","90","","90","","7623","9","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C19 H19 Cu N3 O5 -","- C19 H19 Cu N3 O5 -","- C304 H304 Cu16 N48 O80 -","16","1","","Cui-Qiao Zhang; Feng Fu; Yi-Xia Ren; Xiao-Ming Gao; Ji-Wu Wang","Crystal structure of (2,2':6',2''-terpyridine)copper(II)diacetate monohydrate, [Cu(C15H11N3)](O2CCH3)2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","283","","","","","0.71073","MoKα","","0.0347","0.0297","","","0.0726","0.0756","","","","","","1.037","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103223","19.364","0.003","16.814","0.002","8.1486","0.0009","90","","90","","90","","2653.1","0.6","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C11 H14 Br2 N2 O -","- C11 H14 Br2 N2 O -","- C88 H112 Br16 N16 O8 -","8","0.5","","Zhi-Fang Zhang","Crystal structure of 1,1'-methylenedipyridinium dibromide monohydrate, (C11H12N2)Br2 • H2O","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","553","","","","","0.71073","MoKα","","0.0302","0.0246","","","0.0587","0.0606","","","","","","1.069","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103297","25.3007","0.0012","51.746","0.002","4.5806","0.0002","90","","90","","90","","5997","0.5","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H11 Br Cl N O2 -","- C16 H11 Br Cl N O2 -","- C256 H176 Br16 Cl16 N16 O32 -","16","1","","Wanxi Peng; Fengjuan Wu; Lansheng Wang; Qiu Xu","Crystal structure of 3-(4-bromophenyl)-4-(4-chlorophenylamino)furan-2(5H)-one, C16H11BrClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","61","","","","","0.71073","MoKα","","0.0592","0.0311","","","0.0587","0.0658","","","","","","0.945","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8104979","28.776","0.0011","41.7393","0.0017","8.5929","0.0003","90","","90","","90","","10320.8","0.7","296.15","","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H12 Cl N3 -","- C13 H12 Cl N3 -","- C416 H384 Cl32 N96 -","32","2","","Sun, Guo-Xiang; Min, Li-Jing; Han, Liang; Liu, Xing-Hai","The crystal structure of (E)-3-chloro-2-(2-(4-methylbenzylidene)hydrazinyl)pyridine, C13H12ClN3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","129","131","10.1515/ncrs-2021-0432","","","0.71073","MoKα","","0.1144","0.0477","","","0.0822","0.0976","","","","","","0.934","","","","has coordinates","274173","2022-03-31","08:30:57",""
"8105838","26.279","0.015","30.02","0.017","4.404","0.002","90","","90","","90","","3474","3","296","2","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H22 N4 O7 -","- C16 H22 N4 O7 -","- C128 H176 N32 O56 -","8","0.5","","Gan, Lin Ling; Wang, Bo","Crystal structure of 3-amino-2-hydroxy-6-methoxybenzamide hydrate, C16H22N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","747","748","10.1515/ncrs-2019-0088","","","0.71073","MoKα","","0.043","0.0332","","","0.0835","0.0899","","","","","","1.055","","","","has coordinates","278081","2022-09-22","09:36:34",""
"8105847","22.016","0.0001","20.7969","0.0001","11.1523","0.0001","90","","90","","90","","5106.24","0.06","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H24 Cl4 Sn -","- C28 H24 Cl4 Sn -","- C224 H192 Cl32 Sn8 -","8","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Redetermination of the crystal structure of tetrakis(4-chlorobenzyl)tin(IV), C28H24Cl4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","777","778","10.1515/ncrs-2019-0100","","","1.54178","CuKα","","0.0134","0.0134","","","0.0369","0.037","","","","","","1.02","","","","has coordinates","278112","2022-09-23","08:44:51",""
"8106324","19.046","0.003","45.458","0.006","11.4233","0.0016","90","","90","","90","","9890","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H23 Co2 N4 O8.5 -","- C25 H23 Co2 N4 O8.5 -","- C400 H368 Co32 N64 O136 -","16","1","","Zhao, Ganlin","Crystal structure of poly[μ3-hydroxy-(μ5-(5-(2-carboxylatophenoxy)isophthalato-κ6 O 1:O 2:O 3:O 4:O 5,O 6)-(μ2-1,4-di(1H-imidazol-1-yl)butane-κ2 N:N′)dicobalt(II)] hemihydrate, C25H22Co2N4O8.5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","859","861","10.1515/ncrs-2018-0058","","","0.71073","MoKα","","0.0446","0.0339","","","0.0589","0.0618","","","","","","1.007","","","","has coordinates","279700","2022-12-05","10:28:34",""
"8107065","32.98","0.002","24.6827","0.0018","4.4872","0.0003","90","","90","","90","","3652.7","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H15 Cl3 N2 O4 -","- C17 H15 Cl3 N2 O4 -","- C136 H120 Cl24 N16 O32 -","8","0.5","","Li, Xu; Li, Na; Zhao, Li","Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, C17H14Cl3N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","967","968","10.1515/ncrs-2016-0025","","","0.71073","MoKα","","0.0938","0.0787","","","0.1817","0.1892","","","","","","1.196","","","","has coordinates,has disorder","282509","2023-04-07","07:17:06",""
"8107244","21.2891","0.0012","39.532","0.003","5.1686","0.0003","90","","90","","90","","4349.9","0.5","140","","140","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H6 Cl2 N8 O14 -","- C14 H6 Cl2 N8 O14 -","- C112 H48 Cl16 N64 O112 -","8","0.5","","Xiao, Li; GuoLiang, Jin; JinFeng, He; JiHui, Zhang; Lizhen, Chen; JianLong, Wang","The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","889","891","10.1515/ncrs-2022-0310","","","0.71073","MoKα","","0.0753","0.0469","","","0.078","0.1051","","","","","","1.177","","","","has coordinates","283937","2023-05-22","09:26:44",""
"8107399","38.808","0.0003","33.3993","0.0003","7.1666","0.0001","90","","90","","90","","9289.06","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H24 N2 O12 S -","- C22 H24 N2 O12 S -","- C352 H384 N32 O192 S16 -","16","1","","Chen, Hai-Lin; Wang, Yan-Ping; Pan, Li-Wei; Wei, Zheng; Tang, Ling-Chan","Synthesis and crystal structure of 5-(8-(((5-carboxypentyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxy-3-nitrobenzenesulfonate monohydrate, C22H24N2O12S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","217","219","10.1515/ncrs-2022-0532","","x-ray","1.54184","CuKα","","0.0439","0.0432","","","0.1218","0.1223","","","","","","1.076","","","","has coordinates,has disorder","284506","2023-06-20","08:48:13",""
"8107617","24.8013","0.001","35.889","0.0016","6.9911","0.0004","90","","90","","90","","6222.7","0.5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H32 Co N2 O16 -","- C26 H32 Co N2 O16 -","- C208 H256 Co8 N16 O128 -","8","0.5","","Bao, Xiaobo; Tian, Chongchong","Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ 1 N)cobalt(II)] tetrahydrate, C26H32CoN2O16","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","981","982","10.1515/ncrs-2023-0307","","","0.71073","MoKα","","0.0537","0.0487","","","0.1418","0.1462","","","","","","1.046","","","","has coordinates","286920","2023-10-12","08:26:06",""
"9000363","18.43","","18.71","","6.52","","90","","90","","90","","2248.26","","","","298.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Peacor, D. R.","High temperature, single-crystal X-Ray study of natrolite T = 25 C","American Mineralogist","1973","58","","676","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9000364","18.43","","18.71","","6.52","","90","","90","","90","","2248.26","","","","361.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Peacor, D. R.","High temperature, single-crystal X-Ray study of natrolite T = 88 C","American Mineralogist","1973","58","","676","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9000365","18.43","","18.71","","6.52","","90","","90","","90","","2248.26","","","","419.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Peacor, D. R.","High temperature, single-crystal X-Ray study of natrolite T = 146 C","American Mineralogist","1973","58","","676","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9000366","18.43","","18.71","","6.52","","90","","90","","90","","2248.26","","","","471.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Peacor, D. R.","High temperature, single-crystal X-Ray study of natrolite T = 198 C","American Mineralogist","1973","58","","676","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9001053","20.676","","8.392","","6.446","","90","","90","","90","","1118.46","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","Blossite","- Cu2 O7 V2 -","- Cu2 O7 V2 -","- Cu16 O56 V16 -","8","0.5","","Robinson, P. D.; Hughes, J. M.; Malinconico, M. L.","Blossite, alpha-Cu2V2O7, a new fumarolic sublimate from Izalco volcano, El Salvador - data obtained by personal communication, May 2003.","American Mineralogist","1987","72","","397","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9004518","11.938","","32.854","","11.017","","90","","90","","90","","4320.99","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","Wooldridgeite","- Ca Cu2 H20 Na2 O24 P4 -","- Ca Cu2 H20 Na2 O24 P4 -","- Ca8 Cu16 H160 Na16 O192 P32 -","8","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of wooldridgeite, Na2CaCu2(P2O7)2(H2O)10, a novel copper pyrophosphate mineral","The Canadian Mineralogist","1999","37","","73","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005046","17.678","","18.509","","6.488","","90","","90","","90","","2122.89","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Li1.66 Na0.34 O12 Si3 -","- Al2 H4 Li1.66 Na0.34 O12 Si3 -","- Al16 H32 Li13.28 Na2.72 O96 Si24 -","8","0.5","","Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.","Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: Li-natrolite, LI","European Journal of Mineralogy","1990","2","","761","769","10.1127/ejm/2/6/0761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005047","18.307","","18.623","","6.5872","","90","","90","","90","","2245.78","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.","Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: natrolite, NA","European Journal of Mineralogy","1990","2","","761","769","10.1127/ejm/2/6/0761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005048","19.27","","19.66","","6.469","","90","","90","","90","","2450.77","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 K2 O12 Si3 -","- Al2 H4 K2 O12 Si3 -","- Al16 H32 K16 O96 Si24 -","8","0.5","","Baur, W. H.; Kassner, D.; Kim, C.; Sieber, N. H. W.","Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: K-natrolite, KK","European Journal of Mineralogy","1990","2","","761","769","10.1127/ejm/2/6/0761","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005054","18.305","","18.632","","6.589","","90","","90","","90","","2247.24","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na I","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005055","18.372","","18.576","","6.606","","90","","90","","90","","2254.48","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na II","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005056","18.367","","18.583","","6.599","","90","","90","","90","","2252.33","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na III","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005057","17.704","","18.54","","6.495","","90","","90","","90","","2131.87","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Krogh Andersen, E.; Krogh Andersen, I. G.; Ploug-Sorensen G","Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Li II","European Journal of Mineralogy","1990","2","","799","807","10.1127/ejm/2/6/0799","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005244","18.347","","18.561","","6.587","","90","","90","","90","","2243.13","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al1.927 H4 Na2 O12 Si3.073 -","- Al1.927 H4 Na2 O12 Si3.073 -","- Al15.416 H32 Na16 O96 Si24.584 -","8","0.5","","Alberti, A.; Cruciani, G.; Dauru, I.","Order-disorder in natrolite-group minerals","European Journal of Mineralogy","1995","7","","501","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005448","18.4049","","56.655","","6.5443","","90","","90","","90","","6823.94","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","Mesolite","- Al6 Ca2 H16 Na2 O38 Si9 -","- Al6 Ca2 H16 Na2 O38 Si9 -","- Al48 Ca16 H128 Na16 O304 Si72 -","8","0.5","","Stuckenschmidt, E.; Kirfel, A.","Zeolites of NAT topology: Structure refinement of mesolite from single crystal X-ray data and comparison with the structures of natrolite and scolecite","European Journal of Mineralogy","2000","12","","571","579","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005707","18.2126","","18.5695","","6.5741","","90","","90","","90","","2223.35","","","","","","","","900000","","","","","7","F d d 2","F 2 -2d","43","","","Natrolite (deuterated)","- Al2 Ca0.02 D2.96 Mg0.06 Na1.92 O11.84 Si3 -","- Al2 Ca0.02 D2.96 Mg0.06 Na1.92 O11.84 Si3 -","- Al16 Ca0.16 D23.68 Mg0.48 Na15.36 O94.72 Si24 -","8","0.5","","Seryotkin, Y. V.; Bakakin, V. V.; Fursenko, B. A.; Belitsky, I. A.; Joswig, W.; Radaelli, P. G.","Structural evolution of natrolite during over-hydration: a high-pressure neutron diffraction study Note: Zeolite Sample: Khibiny massif, Kola Peninsula, Russia; P = .9 GPa","European Journal of Mineralogy","2005","17","","305","313","10.1127/0935-1221/2005/0017-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9006169","18.2929","","18.6407","","6.5871","","90","","90","","90","","2246.15","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al1.986 H4 Na1.982 O12 Si2.965 -","- Al1.986 H4 Na1.982 O12.152 Si2.965 -","- Al15.888 H32 Na15.856 O97.216 Si23.72 -","8","0.5","","Stuckenschmidt, E.; Joswig, W.; Baur, W. H.","Natrolite, Part I: refinement of high-order data, separation of internal and external vibrational amplitudes from displacement parameters","Physics and Chemistry of Minerals","1993","19","","562","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9007585","20.68","","8.411","","6.448","","90","","90","","90","","1121.56","","","","","","","","","","","","Synthetic","3","F d d 2","F 2 -2d","43","","","Blossite","- Cu2 O7 V2 -","- Cu2 O7 V2 -","- Cu16 O56 V16 -","8","0.5","","Mercurio-Lavaud D; Frit, B.","Structure cristalline de la variete basse temperature du pyrovanadate de cuivre: Cu2V2O7 alpha","Acta Crystallographica, Section B","1973","29","","2737","2741","10.1107/S0567740873007478","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007606","20.645","","8.383","","6.442","","90","","90","","90","","1114.9","","","","","","","","","","","","Synthetic","3","F d d 2","F 2 -2d","43","","","Blossite","- Cu2 O7 V2 -","- Cu2 O7 V2 -","- Cu16 O56 V16 -","8","0.5","","Calvo, C.; Faggiani, R.","Alpha cupric divanadate","Acta Crystallographica, Section B","1975","31","","603","605","10.1107/S0567740875003354","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008312","47.453","","15.476","","5.847","","90","","90","","90","","4293.94","","","","","","","","","","","","Synthetic","4","F d d 2","F 2 -2d","43","","","Edenharterite","- As3 Pb S6 Tl -","- As3 Pb S6 Tl -","- As48 Pb16 S96 Tl16 -","16","1","","Balic-Zunic T; Engel, P.","Crystal structure of synthetic PbTlAs3S6","Zeitschrift fur Kristallographie","1983","165","","261","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9009237","10.53","","10.44","","6.9","","90","","90","","90","","758.539","","","","113","","","","","","","","","4","F d d 2","F 2 -2d","43","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H16 K8 O32 P8 -","8","0.5","","Levy, H. A.; Peterson, S. W.; Simonsen, S. H.","Neutron diffraction study of the ferroelectric modification of potassium dihydrogen phosphate Note sample at T = 113 K","Physical Review","1954","93","","1120","1121","10.1103/PhysRev.93.1120","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009399","17.324","","17.638","","6.416","","90","","90","","90","","1960.48","","","","823","","","","","","","","Khibiny, Kola peninsula, Russia","4","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 Na2 O10 Si3 -","- Al2 Na2 O10 Si3 -","- Al16 Na16 O80 Si24 -","8","0.5","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 823 K, crystal III, ""high natrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009400","17.328","","17.551","","6.385","","90","","90","","90","","1941.83","","","","573","","","","","","","","Khibiny, Kola peninsula, Russia","4","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 Na2 O10 Si3 -","- Al2 Na2 O10 Si3 -","- Al16 Na16 O80 Si24 -","8","0.5","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 573 K, crystal III, ""high natrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009401","18.221","","18.331","","6.536","","90","","90","","90","","2183.08","","","","293","","","","","","","","Khibiny, Kola peninsula, Russia","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 H4 Na1.74 O11.5 Si3 -","- Al2 H3 Na1.74 O11.5 Si3 -","- Al16 H24 Na13.92 O92 Si24 -","8","0.5","","Baur, W. H.; Joswig, W.","The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 293 K, crystal III, ""postnatrolite""","Neues Jahrbuch fur Mineralogie, Monatshefte","1996","1996","","171","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009535","21.129","","6.881","","21.188","","90","","90","","90","","3080.5","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","Chkalovite","- Be Na2 O6 Si2 -","- Be Na2 O6 Si2 -","- Be24 Na48 O144 Si48 -","24","1.5","","Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V.","Utochnennaya kristallicheskaya struktura chkalovita Na2Be[Si2O6]","Doklady Akademii Nauk SSSR","1975","225","","1319","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009889","11.34","","20.096","","6.034","","90","","90","","90","","1375.08","","","","","","","","","","","","Synthetic","5","F d d 2","F 2 -2d","43","","","Pirssonite","- C2 H4 Ca Na2 O8 -","- C2 H4 Ca Na2 O8 -","- C16 H32 Ca8 Na16 O64 -","8","0.5","","Dickens, B.; Brown, W. E.","The crystal structures of CaNa2(CO3)2*5(H2O), synthetic gaylussite, and CaNa2(CO3)2*2(H2O), synthetic pirssonite","Inorganic Chemistry","1969","8","","2093","2103","10.1021/ic50080a012","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010485","17.574","","18.161","","6.3674","","90","","90","","90","","2032.23","","","","","","","","","","","","Synthetic","4","F d d 2","F 2 -2d","43","","","Natrolite","- Al2 Na2 O10 Si3 -","- Al2 Na2 O10 Si3 -","- Al16 Na16 O80 Si24 -","8","0.5","","Wang, H.; Bish, D. L.","A PH2O-dependent structural phase transition in the zeolite natrolite Sample: alpha2-metanatrolite at 400 C, 0.15 mbar","American Mineralogist","2008","93","","1191","1194","10.2138/am.2008.2949","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011244","18.421","","22.791","","10.912","","90","","90","","90","","4581.22","","","","","","","","","","","","Chia-Yi, Taiwan","3","F d d 2","F 2 -2d","43","","","Flagstaffite","- C10 H22 O3 -","- C10 H22 O3 -","- C160 H352 O48 -","16","1","","Marsh, E. R.; Herbstein, F. H.","More space group changes","Acta Crystallographica, Section B: Structural Science","1988","44","1","77","88","10.1107/s0108768187009492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011245","13.635","","26.353","","6.089","","89.87","","90","","90","","2187.91","","","","153","","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C3 N -","- C3 H3.5 N -","- C96 H112 N32 -","32","2","","Marsh, R. E.; Herbstein, F. H.","More space group changes","Acta Crystallographica, Section B: Structural Science","1988","44","1","77","88","10.1107/s0108768187009492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011246","11.419","","41.077","","6.626","","90","","90","","90","","3107.98","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C7 H10 S2 -","- C7 H10 S2 -","- C112 H160 S32 -","16","1","","Marsh, R. E.; Herbstein, F. H.","More space group changes","Acta Crystallographica, Section B: Structural Science","1988","44","1","77","88","10.1107/s0108768187009492","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011919","6.93","","16.74","","6.93","","90","","90","","90","","803.937","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Babefphite","- Ba Be F O4 P -","- Ba Be F O4 P -","- Ba8 Be8 F8 O32 P8 -","8","0.5","","Shashkin, D. N.; Simonov, M. A.; Belov, N. V.","Crystal structure of babepfite BaBePO4F = Ba(Be,P)2O4F","Doklady Akademii Nauk SSSR","1967","176","","1392","1395","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012819","15.979","","18.25","","7.169","","90","","90","","90","","2090.6","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","4","F d d 2","F 2 -2d","43","","","Grumantite","- H3 Na O6 Si2 -","- H3 Na O6 Si2 -","- H48 Na16 O96 Si32 -","16","1","","Yamnova, N. Y.; Pushcharovsky, D. Y.; Andrianov, V. I.; Rastsvetaeva, R. K.; Khomyakov, A. P.; Mikheeva, M. G.","A new type of silicon-oxygen group in the structure of grumantite Na[Si2O4(OH)]*H2O","Soviet Physics Doklady","1989","34","","284","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012870","15.4764","","47.602","","5.8489","","90","","90","","90","","4308.93","","","","","","","","","","","","Lengenbach quarry, Binntal, Valais, Switzerland","5","F d d 2","F 2 -2d","43","","","Edenharterite","- As2.93 Pb S6 Sb0.07 Tl -","- As2.93 Pb S6 Sb0.07 Tl -","- As46.88 Pb16 S96 Sb1.12 Tl16 -","16","1","","Berlepsch, P.","Crystal structure and crystal chemistry of the homeotypes edenharterite (TlPbAs3S6) and jentschite (TlPbAs2SbS6) from Lengenbach, Binntal (Switzerland) Locality: Lengenbach quarry, Binntal, Valais, Switzerland","Schweizerische Mineralogische und Petrographische Mitteilungen","1996","76","","147","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013946","5.7491","","10.0176","","24.022","","90","","90","","90","","1383.48","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Khinite","- Cu3 H2 O8 Pb Te -","- Cu24 O64 Pb8 Te8 -","- Cu24 O64 Pb8 Te8 -","","","","Cooper, M. A.; Hawthorne, F. C.; Back, M. E.","The crystal structure of khinite and polytypism in khinite and parakhinite Locality: the Empire mine, Tombstone, Arizona, USA","Mineralogical Magazine","2008","72","","763","770","10.1180/minmag.2008.072.3.763","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""