# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2025-12-08T13:58:44+01:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (sg LIKE 'P n n a' 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 "1004072","7.891","0.012","10.39","0.005","10.39","0.005","90","","90","","90","","851.9","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Potassium tetrabromoindate","","- Br4 In K -","- Br4 In K -","- Br16 In4 K4 -","4","0.5","","Wignacourt, J P; Mairesse, G; Abraham, F","Potassium Tetrabromoindate(III), K (In Br~4~)","Acta Crystallographica C (39,1983-)","1984","40","","2006","2007","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1005032","6.201","0.0012","10.511","0.002","10.07","0.002","90","","90","","90","","656.3","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Tribarium digallium nitride","","- Ba3 Ga2 N4 -","- Ba3 Ga2 N4 -","- Ba12 Ga8 N16 -","4","0.5","","Yamane, H; DiSalvo, F J","Ba3 Ga2 N4","Acta Crystallographica C (39,1983-)","1996","52","","760","761","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1010809","2.95","","11.5","","4.1","","90","","90","","90","","139.1","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","Manganese(III) boride","","- B Mn -","","","8","1","","Hocart, R; Fallot, M","Structure et proprietes magnetiques du borure de manganese Mn B.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1936","203","","1062","1064","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00","" "1508059","9.489","0.002","26.246","0.006","9.898","0.002","90","","90","","90","","2465.1","0.9","150","2","150","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn N4 O9 Re -","- C21 H20 Cl Mn N4 O9 Re -","- C84 H80 Cl4 Mn4 N16 O36 Re4 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.71073","MoKα","","0.114","0.0832","","","0.183","0.194","","","","","","1.17","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1508060","9.281","0.002","25.932","0.005","9.709","0.002","90","","90","","90","","2336.7","0.8","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn2 N4 O9 -","- C21 H20 Cl Mn2 N4 O9 -","- C84 H80 Cl4 Mn8 N16 O36 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.72","synchrotron","","0.115","0.0884","","","0.217","0.238","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1508061","9.062","0.0018","25.6","0.005","9.618","0.0019","90","","90","","90","","2231.3","0.8","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21 H20 Cl Mn2 N4 O8 -","- C20 H6 Cl2 Mn2 N4 O8 -","- C80 H24 Cl8 Mn8 N16 O32 -","4","0.5","","Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong","Photoreactivity examined through incorporation in metal-organic frameworks.","Nature chemistry","2010","2","8","688","694","10.1038/nchem.681","","","0.72","synchrotron","","0.227","0.209","","","0.485","0.505","","","","","","1.96","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1508550","18.2479","0.0006","11.5043","0.0004","11.3089","0.0003","90","","90","","90","","2374.07","0.13","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H36 Al Cl4 N -","- C16 H36 Al Cl4 N -","- C64 H144 Al4 Cl16 N4 -","4","0.5","","Kanazawa, Arihiro; Shibutani, Shota; Yoshinari, Nobuto; Konno, Takumi; Kanaoka, Shokyoku; Aoshima, Sadahito","Structure Effects of Lewis Acids on the Living Cationic Polymerization ofp-Methoxystyrene: Distinct Difference in Polymerization Behavior from Vinyl Ethers","Macromolecules","2012","45","19","7749","","10.1021/ma301505j","","","0.71075","MoKα","","0.0853","0.0637","","","0.1496","0.1607","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509762","5.975","","6.311","","9.563","","90","","90","","90","","360.604","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Ag2 (Bi O3)","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","0.5","","Deibele, S.; Jansen, M.","Bismuth in Ag2 Bi O3: Tetravalent or internally disproportionated ?","Journal of Solid State Chemistry","1999","147","","117","121","10.1006/jssc.1999.8186","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509869","14.283","","5.692","","8.777","","90","","90","","90","","713.56","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- Ag4 Bi2 O5 -","- Ag4 Bi2 O5 -","- Ag16 Bi8 O20 -","4","0.5","","Deibele, S.; Jansen, M.","Ag4 Bi2 O5 - ein neues Silberbismutat(III)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","539","542","10.1002/zaac.19966220325","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1515854","18.9732","0.0007","14.5707","0.0005","8.6223","0.0004","90","","90","","90","","2383.66","0.16","160","1","160","1","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","0.5","","Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors","Chemical Science","2010","1","1","102","","10.1039/c0sc00117a","","","0.71073","MoKα","","0.0745","0.0485","","","0.113","0.1312","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00","" "1518061","10.0763","0.0015","13.0012","0.0009","5.774","0.0009","90","","90","","90","","756.42","0.17","","","293","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- Bi Cr2 O8 Rb -","- Bi Cr2 O8 Rb -","- Bi4 Cr8 O32 Rb4 -","4","0.5","","Riou, A.; Roult, G.; Gerault, Y.; Cudennec, Y.","Etude par diffraction neutronique en temps de vol de la structure de alpha-RbBi(CrO4)2","Revue de Chimie Minerale","1984","21","","732","739","","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1520524","21.3561","0.0004","19.4016","0.0003","14.9635","0.0002","90","","90","","90","","6200.01","0.17","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C53 H69 N6 O25 P2 Ru -","- C53 H56 N6 O25 P2 Ru -","- C212 H224 N24 O100 P8 Ru4 -","4","0.5","","Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.","Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design","Chem. Sci.","2015","6","10","5531","","10.1039/C5SC01439E","","","1.54178","CuKα","","0.0778","0.068","","","0.1842","0.1922","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00","" "1521395","11.2877","","8.4286","","10.767","","90","","90","","90","","1024.37","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Li2 (Pd (N O2)4) (H2 O)2","","- H4 Li2 N4 O10 Pd -","- Li2 N4 O10 Pd -","- Li8 N16 O40 Pd4 -","4","0.5","","Khranenko, S.P.; Belyaev, A.V.; Gromilov, S.A.; Virovets, A.V.; Baidina, I.A.","Synthesis and crystal structure of Li2 (Pd (N O2)4) . 2(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1999","40","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1524563","5.062","","10.117","","11.687","","90","","90","","90","","598.518","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Ge As Se","","- As Ge Se -","- As Ge Se -","- As8 Ge8 Se8 -","8","1","","Hulliger, F.; Siegrist, T.","The crystal structure of Ge As Se","Materials Research Bulletin","1981","16","","1245","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527200","9.497","","14.106","","5.457","","90","","90","","90","","731.045","","","","","","","","","","","","","4","P n n a","-P 2a 2bc","52","","Cs Pr (S O4)2","","- Cs O8 Pr S2 -","- Cs O8 Pr S2 -","- Cs4 O32 Pr4 S8 -","4","0.5","","Bukovec, N.; Golic, L.; Bukovec, P.; Siftar, J.","Die Synthese und Kristallstruktur von Caesium-Praseodymsulfat","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1978","109","","1305","1310","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527376","28.08","","15.195","","15.195","","90","","90","","90","","6483.34","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","","","- Ru25 Y44 -","- Ru25 Y44 -","- Ru100 Y176 -","4","0.5","","Fornasini, M.L.; Mugnoli, A.; Palenzona, A.","Crystal structure of Y44 Ru25","Journal of the Less-Common Metals","1989","154","","149","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1527495","8.02","","10.35","","10.45","","90","","90","","90","","867.423","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","Tl2 Br4","","- Br4 Tl2 -","- Br4 Tl2 -","- Br16 Tl8 -","4","0.5","","Hazell, A.C.","The Crystal Structure of Thallium Dibromide","Journal of the Chemical Society","1963","1963","","3459","3459","","","","","","","","","","","","","","","","","","","","","","has coordinates","149100","2020-10-21","18:00:00","" "1527573","5.4756","","5.4248","","7.731","","90","","90","","90","","229.642","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Zr V2 D2.8","","- D2.8 V2 Zr -","- D2.8 V2 Zr -","- D11.2 V8 Zr4 -","4","0.5","","Irodova, A.V.; Bouree, F.; Andre, G.","Phase transition between hydrogen superstructures with k=(001) and k=0 via incommensurate phase in Zr V2 Dx (2.8 N)benzo[b][1,5]naphthyridine-κN^1^]copper(II) perchlorate acetonitrile disolvate","","- C38 H28 Cl2 Cu N8 O4 -","- C38 H28 Cl2 Cu N8 O4 -","- C152 H112 Cl8 Cu4 N32 O16 -","4","0.5","BT4028","Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji","Chloridobis[2-(pyridin-2-yl-κN)benzo[b][1,5]naphthyridine-κN^1^]copper(II) perchlorate acetonitrile disolvate","IUCrData","2016","1","10","x161562","","10.1107/S2414314616015625","","","0.71075","MoKα","","0.055","0.0432","","","0.124","0.1317","","","","","","1.056","","","","has coordinates,has Fobs","187283","2020-10-21","18:00:00","" "1545290","14.5909","0.0004","12.6902","0.0003","20.135","0.0006","90","","90","","90","","3728.23","0.17","133","2","133","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C34 H58 Cu2 N4 O8 -","- C34 H58 Cu2 N4 O8 -","- C136 H232 Cu8 N16 O32 -","4","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0462","0.0434","","","0.0924","0.0938","","","","","","1.192","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00","" "1549163","8.3","0.0017","10.4","0.002","19.74","0.004","90","","90","","90","","1704","0.6","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene-N,N')- zinc(II) (mu-Dimethylmalonato-O,O')(mu!4$-tetrakis(4- pyridyl)cyclobutane-N,N',N'',N''')- zinc(II) hydrate)","","- C17 H17 N2 O4.25 Zn -","- C17 H17 N2 O4.25 Zn -","- C68 H68 N8 O17 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive N,N'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.9699","synchrotron","","0.1459","0.0934","","","0.1857","0.2141","","","","","","1.045","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00","" "1549650","21.8103","0.0005","22.977","0.0006","22.0395","0.0006","90","","90","","90","","11044.8","0.5","100","2","100","2","","","","","","","","9","P n n a","-P 2a 2bc","52","","","","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C340 H408 Cl2.8 Cu49.2 F120 N24 O4 P4 S48 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0508","0.045","","","0.1084","0.1122","","","","","","1.099","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00","" "1550674","32.0315","0.0003","28.2049","0.0003","19.86","0.0002","90","","90","","90","","17942.4","0.3","243","2","243","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H22 In N2 O8 -","- C40 H22 In N2 O8 -","- C320 H176 In8 N16 O64 -","8","1","","Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff","Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions","Chemical Science","2019","","","","","10.1039/C9SC00178F","","x-ray","1.54178","CuKα","","0.0804","0.0706","","","0.2197","0.2308","","","","","","1.031","","","","has coordinates","213903","2020-10-21","18:00:00","" "1553691","14.768","0.016","15.377","0.017","16.689","0.018","90","","90","","90","","3790","7","296","2","296","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","ZZ-HPB-CN","","- C48 H30 N4 -","- C48 H30 N4 -","- C192 H120 N16 -","4","0.5","","Zhang, Yahui; Kong, Lingwei; Mao, Huiling; Pan, Xiaoling; Shi, Jianbing; Tong, Bin; Dong, Yuping","Light/temperature-enhanced emission characteristics of malononitrile-containing hexaphenyl-1,3-butadiene derivatives: the hotter, the brighter","Materials Chemistry Frontiers","2017","1","12","2569","","10.1039/C7QM00304H","","","0.71073","MoKα","","0.1352","0.0576","","","0.1442","0.1904","","","","","","0.943","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30","" "1553902","18.4928","0.0016","11.5835","0.0008","11.4759","0.0008","90","","90","","90","","2458.3","0.3","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H36 Br Cl3 Fe N -","- C16 H36 Br Cl3 Fe N -","- C64 H144 Br4 Cl12 Fe4 N4 -","4","0.5","","Li, Sanliang; Zhu, Bo; Lee, Richmond; Qiao, Baokun; Jiang, Zhiyong","Visible light-induced selective aerobic oxidative transposition of vinyl halides using a tetrahalogenoferrate(iii) complex catalyst","Organic Chemistry Frontiers","2018","5","3","380","","10.1039/C7QO00798A","","x-ray","1.54184","CuKα","","0.0724","0.0426","","","0.1123","0.1363","","","","","","1.026","","","","has coordinates,has disorder","236146","2020-10-21","18:00:00","" "1559286","15.9816","0.0012","31.3","0.002","15.8502","0.0012","90","","90","","90","","7928.7","1","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 B F4 N4 Ni -","- C42 H48 B F4 N4 Ni -","- C336 H384 B8 F32 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0759","0.0528","","","0.1166","0.1267","","","","","","1.1","","","","has coordinates","258209","2020-10-21","18:00:00","" "1559611","22.1584","0.0019","41.418","0.004","13.425","0.0012","90","","90","","90","","12320.9","1.9","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C90 H186 Ce2 Cl4 O29 Si6 -","- C90 H186 Ce2 Cl4 O29 Si6 -","- C360 H744 Ce8 Cl16 O116 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0663","0.0527","","","0.1203","0.128","","","","","","1.108","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14","" "1559740","15.95929","0.00017","28.8471","0.0003","8.98775","0.00009","90","","90","","90","","4137.77","0.07","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C38 H40 F12 N2 O4 P2 -","- C38 H40 F12 N2 O4 P2 -","- C152 H160 F48 N8 O16 P8 -","4","0.5","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.0517","0.0484","","","0.1339","0.1373","","","","","","1.056","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29","" "1561210","10.7421","0.0007","21.7013","0.0015","17.7109","0.0012","90","","90","","90","","4128.7","0.5","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C40 H41 Cu F4 N8 O7 -","- C40 H41 Cu F4 N8 O7 -","- C160 H164 Cu4 F16 N32 O28 -","4","0.5","","Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei","Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2018","258","","24","31","10.1016/j.jssc.2017.10.002","","","0.71073","MoKα","","0.0609","0.0494","","","0.1486","0.1578","","","","","","1.076","","","","has coordinates","263252","2021-03-23","09:24:35","" "1561621","18.045","0.005","11.49","0.004","15.228","0.005","90","","90","","90","","3157.3","1.7","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H20 Ca N8 O4 -","- C40 H20 Ca N8 O4 -","- C160 H80 Ca4 N32 O16 -","4","0.5","","Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong","Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions","Journal of Solid State Chemistry","2016","233","","229","235","10.1016/j.jssc.2015.10.034","","","0.71073","MoKα","","0.049","0.0405","","","0.1215","0.1269","","","","","","1.078","","","","has coordinates","264017","2021-04-09","09:25:10","" "1561622","18.0519","0.0011","11.7574","0.0007","15.2235","0.0009","90","","90","","90","","3231.1","0.3","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H22 N8 O4 Sr -","- C40 H22 N8 O4 Sr -","- C160 H88 N32 O16 Sr4 -","4","0.5","","Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong","Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions","Journal of Solid State Chemistry","2016","233","","229","235","10.1016/j.jssc.2015.10.034","","","0.71073","MoKα","","0.0566","0.0423","","","0.1301","0.1364","","","","","","1.062","","","","has coordinates","301787","2025-08-18","22:19:34","" "1561678","28.58","0.006","27.79","0.006","9.6693","0.0019","90","","90","","90","","7680","3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C24 H18 N10 O Zn -","- C24 H18 N10 O Zn -","- C192 H144 N80 O8 Zn8 -","8","1","","Guo, Feng; Su, Changhua; Chu, Zepeng; Zhao, Minghui","A highly stable 3D metal−organic framework for selectively luminescent sensing and knoevenagel condensation reaction","Journal of Solid State Chemistry","2019","277","","25","31","10.1016/j.jssc.2019.05.036","","","0.71073","MoKα","","0.0777","0.0593","","","0.1897","0.2009","","","","","","1.055","","","","has coordinates","264078","2021-04-13","07:55:56","" "1561980","24.815","0.005","13.262","0.003","14.236","0.003","90","","90","","90","","4685","1.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C43 H40 Co2 F6 N4 O13 -","- C43 H22 Co2 F6 N4 O13 -","- C172 H88 Co8 F24 N16 O52 -","4","0.5","","Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing","New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates","Journal of Solid State Chemistry","2015","226","","206","214","10.1016/j.jssc.2015.02.028","","","0.71073","MoKα","","0.1162","0.0684","","","0.1659","0.1909","","","","","","1.03","","","","has coordinates","264395","2021-04-22","07:57:24","" "1564001","14.4035","0.0002","17.2052","0.0003","16.2493","0.0003","90","","90","","90","","4026.82","0.12","100","","100","","","","","","","","","7","P n n a","-P 2a 2bc","52","","Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-selonato- κSe](η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)","","- C34 H46 Cl2 Ir2 N2 O2 Se2 -","- C34 H46 Cl2 Ir2 N2 O2 Se2 -","- C136 H184 Cl8 Ir8 N8 O8 Se8 -","4","0.5","","Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations","Inorganica Chimica Acta","2020","513","","119919","","10.1016/j.ica.2020.119919","","x-ray","0.71073","MoKα","","0.0771","0.0639","","","0.1268","0.1314","","","","","","1.219","","","","has coordinates,has disorder","267329","2021-07-07","08:52:51","" "1566080","13.1007","0.0006","11.6128","0.0005","20.0929","0.0008","90","","90","","90","","3056.8","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium cobalt(II) dicyanamide","[TPnA][Fe(Dca)3]","","- C26 H44 Fe N10 -","- C26 H44 Fe N10 -","- C104 H176 Fe4 N40 -","4","0.5","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","x-ray","1.54184","CuKα","","0.0525","0.0413","","","0.109","0.1174","","","","","","1.056","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27","" "1566081","13.066","0.002","11.6026","0.0019","19.926","0.004","90","","90","","90","","3020.8","0.9","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium cobalt(II) dicyanamide","[TPnA][Co(Dca)3]","","- C26 H44 Co N10 -","- C26 H42.428 Co N10 -","- C104 H169.712 Co4 N40 -","4","0.5","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","x-ray","1.54184","CuKα","","0.1077","0.0624","","","0.1857","0.2124","","","","","","1.071","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27","" "1568296","16.8845","0.0002","41.326","0.0006","14.1744","0.0003","90","","90","","90","","9890.5","0.3","223","0.1","223","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C31 H53 Co2 O19 V6 -","- C31 H53 Co2 O19 V6 -","- C248 H424 Co16 O152 V48 -","8","1","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.1086","0.0854","","","0.2566","0.2815","","","","","","1.064","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10","" "1568979","17.7035","0.0014","24.613","0.002","14.9608","0.0012","90","","90","","90","","6519","0.9","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H27 Bi F3 N O6 S3 -","- C22 H27 Bi F3 N O6 S3 -","- C176 H216 Bi8 F24 N8 O48 S24 -","8","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO2 and CS2 into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0304","0.0218","","","0.0522","0.0558","","","","","","1.053","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31","" "1569926","15.714","0.003","22.937","0.005","20.691","0.004","90","","90","","90","","7458","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C248 H344 Cl8 Ga8 N8 P8 Pd4 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0485","0.0354","","","0.0886","0.094","","","","","","1.06","","","","has coordinates","287318","2023-11-06","07:01:14","" "1569927","15.629","0.003","22.82","0.005","20.425","0.004","90","","90","","90","","7285","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C284 H424 Cl8 Ga8 N8 Ni4 P8 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.1045","0.0489","","","0.1192","0.1382","","","","","","0.971","","","","has coordinates","287318","2023-11-06","07:01:15","" "1570221","16.8733","0.0006","15.5281","0.0006","19.2855","0.0007","90","","90","","90","","5053","0.3","140","2","140","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C55 H73 Na O10 -","- C47 H57 Na O8 -","- C188 H228 Na4 O32 -","4","0.5","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.1277","0.0738","","","0.2201","0.2714","","","","","","1.04","","","","has coordinates,has disorder","288771","2024-01-06","07:40:21","" "1570379","20.0759","0.0002","16.97565","0.00017","14.15214","0.00016","90","","90","","90","","4823.07","0.09","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C43 H48 Cu4 I4 N8 -","- C43 H48 Cu4 I4 N8 -","- C172 H192 Cu16 I16 N32 -","4","0.5","","Jin, Xiaodong; Lin, Yongjie; Davies, Robert P.","On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation","Catalysis Science & Technology","2023","13","24","7181","7189","10.1039/D3CY00767G","","","1.54184","CuKα","","0.0294","0.0261","","","0.064","0.0662","","","","","","1.027","","","","has coordinates,has disorder","288718","2024-01-06","06:48:47","" "1571050","14.353","0.0004","17.6841","0.0007","8.9669","0.0003","90","","90","","90","","2275.98","0.13","100","0.6","100","0.6","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H42 Cs N Si2 -","- C18 H42 Cs N Si2 -","- C72 H168 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (tBu3Si)2N-: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","0.71073","MoKα","","0.031","0.0234","","","0.0513","0.0554","","","","","","1.048","","","","has coordinates","290874","2024-04-04","23:00:38","" "1571453","15.7599","0.0016","17.6063","0.0016","15.3755","0.0014","90","","90","","90","","4266.3","0.7","100","","100","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C48 H32 Cl2 F2 N4 O4 U2 -","- C48 H32 Cl2 F2 N4 O4 U2 -","- C192 H128 Cl8 F8 N16 O16 U8 -","4","0.5","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","","0.7288","synchrotron","","0.0394","0.0279","","","0.0584","0.0625","","","","","","1.032","","","","has coordinates","292916","2024-07-05","15:06:17","" "1572756","14.0967","0.0009","11.9311","0.0008","14.7941","0.0009","90","","90","","90","","2488.2","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H26 Cl N7 O6 Zn -","- C22 H26 Cl N7 O6 Zn -","- C88 H104 Cl4 N28 O24 Zn4 -","4","0.5","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in S-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0408","0.0304","","","0.0781","0.0846","","","","","","1.025","","","","has coordinates","296381","2024-12-06","16:35:06","" "1572933","13.507","0.001","7.4267","0.0005","19.947","0.0015","90","","90","","90","","2000.9","0.3","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C11 H5.5 B0.5 S2 -","- C11 H5.5 B0.5 S2 -","- C88 H44 B4 S16 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0666","0.0449","","","0.1105","0.122","","","","","","0.995","","","","has coordinates","296413","2024-12-06","16:50:19","" "1573721","22.3235","0.0002","15.8553","0.0001","17.5716","0.0002","90","","90","","90","","6219.39","0.1","160","0.1","160","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C58 H52 Co F24 N6 O P4 Re2 -","- C54 H42 Co F24 N6 P4 Re2 -","- C216 H168 Co4 F96 N24 P16 Re8 -","4","0.5","","Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger","The role of [Re(η6-arene)2]+ substituents in electro- and photocatalytic water reduction with [Co(terpy)2]3+ catalysts","Catalysis Science & Technology","2025","15","5","1627","1633","10.1039/D4CY01282H","","x-ray","1.54184","CuKα","","0.0492","0.0457","","","0.1351","0.1384","","","","","","1.065","","","","has coordinates,has disorder","297978","2025-03-04","18:03:25","" "1573933","7.6381","0.0003","27.9614","0.0011","28.9791","0.0013","90","","90","","90","","6189.1","0.4","90","2","90","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C60 H20 Au B F20 N4 -","- C60 H20 Au B F20 N4 -","- C240 H80 Au4 B4 F80 N16 -","4","0.5","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0674","0.0521","","","0.1508","0.1613","","","","","","1.206","","","","has coordinates","298818","2025-04-05","02:28:01","" "1574687","12.364","0.0001","35.4478","0.0002","13.1495","0.0001","90","","90","","90","","5763.12","0.07","93.15","","93.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30 H17 Br N2 O3 S -","- C30 H17 Br N2 O3 S -","- C240 H136 Br8 N16 O24 S8 -","8","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0964","0.0888","","","0.2416","0.2487","","","","","","1.099","","","","has coordinates","300546","2025-07-06","13:47:22","" "1575061","18.3966","0.0002","30.5224","0.0004","13.0978","0.0002","90","","90","","90","","7354.52","0.17","103","2","103","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C76 H98 Fe2 S5.2 Sn -","- C76 H98 Fe2 S5.2 Sn -","- C304 H392 Fe8 S20.8 Sn4 -","4","0.5","","Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro","Ferrocenyl Substituted Stannanethione and Stannaneselone","Molecules","2025","30","13","2826","","10.3390/molecules30132826","","","0.71073","MoKα","","0.0513","0.0449","","","0.0924","0.0943","","","","","","1.237","","","","has coordinates,has disorder","301198","2025-07-07","14:13:20","" "1575482","20.4001","0.0008","12.3504","0.0005","12.3248","0.0005","90","","90","","90","","3105.2","0.2","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","bis(adiponitrile)lithium hexafluorophosphate","","- C12 H16 I Li N4 -","- C12 H16 I Li N4 -","- C96 H128 I8 Li8 N32 -","8","1","","Paul, Shujit Chandra; Goddard III, William A.; Zdilla, Michael J.; Prakash, Prabhat; Wunder, Stephanie Louisa","Grain Boundary Tuning Determines Iodide and Lithium-Ion Migration in a Solid Adiponitrile-LiI Molecular Crystal Electrolyte","Materials Horizons","2025","","","","","10.1039/D5MH00900F","","","0.71073","MoKα","","0.0321","0.0232","","","0.0439","0.0481","","","","","","1.073","","","","has coordinates","301763","2025-08-16","01:56:49","" "1575723","9.8245","0.0004","32.4522","0.001","16.2721","0.0006","90","","90","","90","","5188","0.3","170","2","170","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C42 H76 B22 N4 -","- C42 H76 B22 N4 -","- C168 H304 B88 N16 -","4","0.5","","Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon","Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB11H12].","Chemical communications (Cambridge, England)","2025","61","83","16262","16265","10.1039/d5cc04753f","","","0.71073","MoKα","","0.1008","0.0798","","","0.2469","0.2724","","","","","","1.046","","","","has coordinates","303522","2025-11-29","17:37:13","" "1575953","13.7374","0.0016","12.6237","0.0015","15.635","0.0019","90","","90","","90","","2711.4","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H21 B10 N2 O6 Zn -","- C16 H21 B10 N2 O6 Zn -","- C64 H84 B40 N8 O24 Zn4 -","4","0.5","","Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin","Moderately Polarized Carborane-MOF with Inverse C2 Selectivity for One-Step Polymer-Grade Ethylene Purification","Materials Horizons","2025","","","","","10.1039/D5MH01641J","","","0.6888","synchrotron","","0.1566","0.1224","","","0.3194","0.3468","","","","","","1.113","","","","has coordinates,has disorder","302382","2025-10-05","01:51:41","" "1575997","27.431","0.003","37.714","0.004","13.8529","0.001","90","","90","","90","","14331","2","99.91","0.19","99.91","0.19","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C64 H92 Au4 S8 -","- C64 H92 Au4 S8 -","- C512 H736 Au32 S64 -","8","1","","George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas","Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer","Chemical Science","2025","","","","","10.1039/D5SC06444A","","x-ray","1.54184","CuKα","","0.1291","0.067","","","0.1561","0.1933","","","","","","1.002","","","","has coordinates,has disorder","302866","2025-10-15","22:36:46","" "2001931","8.86","0.008","11.007","0.002","16.316","0.004","90","","90","","90","","1591.2","1.5","","","","","","","","","","","","5","P n n a","-P 2a 2bc","","","","","- C14 H11 Fe N2 O10 -","- C14 H11 Fe N2 O10 -","- C56 H44 Fe4 N8 O40 -","4","0.5","BU0317","Marsh, R. E.","On the crystal structure of bis(dipicolinato)ferrate(III) dihydrate","Acta Crystallographica Section C","1993","49","3","643","","10.1107/S0108270192011673","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2002214","6.63","","12.7","","9.09","","90","","90","","90","","765.4","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Barium hexasilver oxide","","- Ag6 Ba O4 -","- Ag6 Ba O4 -","- Ag24 Ba4 O16 -","4","0.5","","Keller, H L; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba Ag6 O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1973","28","","263","267","","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2002231","6.518","","12.416","","8.909","","90","","90","","90","","721","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Strontium tetraoxohexaargentate(I)","","- Ag6 O4 Sr -","- Ag6 O4 Sr -","- Ag24 O16 Sr4 -","4","0.5","","Keller, H L; Mueller-Buschbaum, Hk","Strontiumargentat Sr Ag6 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","393","","266","274","10.1002/zaac.19723930310","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2010692","7.903","0.004","11.068","0.004","17.053","0.003","90","","90","","90","","1491.6","1","296","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H10 Cu N2 O9 -","- C14 H10 Cu N2 O9 -","- C56 H40 Cu4 N8 O36 -","4","0.5","BM1356","Okabe, Nobuo; Oya, Naomi","Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2000","56","3","305","307","10.1107/S0108270199015565","","","0.71069","MoKα","","","0.081","","","","0.129","","","","","","1.03","","","","has coordinates","301798","2025-08-19","06:41:46","" "2011420","16.8468","0.0003","37.3753","0.0007","13.8418","0.0003","90","","90","","90","","8715.5","0.3","150","","150","","","","","","","","","3","P n n a","-P 2a 2bc","52","2-[1-(1-naphthyl)ethyl]benzoic acid","","","- C19 H16 O2 -","- C19 H16 O2 -","- C456 H384 O48 -","24","3","FR1289","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150K","Acta Crystallographica Section C","2000","56","10","1222","1224","10.1107/S0108270100009781","","","0.71073","MoKα","","","0.055","","","","0.076","","","","","","1.67","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2013396","10.559","0.004","7.898","0.003","6.057","0.003","90","","90","","90","","505.1","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","sodium hexafluorophosphate monohydrate","sodium hexafluorophospate monohydrate","","- F6 H2 Na O P -","- F6 H2 Na O P -","- F24 H8 Na4 O4 P4 -","4","0.5","BC1021","Ilia A. Guzei; Joseph M. Langenhan","The correct space group of NaPF~6~·H~2~O","Acta Crystallographica Section C","2003","59","9","i95","i96","10.1107/S0108270103014446","","","0.71073","MoKα","","0.054","0.0452","","","0.0942","0.0976","","","","","","1.183","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2014425","29.5645","0.0013","18.0613","0.0007","6.5961","0.0003","90","","90","","90","","3522.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)copper(II)]-di-μ~2~,μ~4~-5-nitro- 1,3-benzenedicarboxylato]","","- C40 H24 N6 Ni2 O13 -","- C40 H24 N6 Ni2 O13 -","- C160 H96 N24 Ni8 O52 -","4","0.5","AV1206","He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-μ~2~,μ~4~-5-nitro-1,3-benzenedicarboxylato]","Acta Crystallographica Section C","2004","60","11","m569","m571","10.1107/S0108270104023431","","","0.71073","MoKα","","0.0526","0.0484","","","0.1051","0.1075","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00","" "2014667","18.0977","0.0012","37.603","0.003","12.9239","0.0009","90","","90","","90","","8795.1","1.1","213","2","213","2","","","","","","","","8","P n n a","-P 2a 2bc","52","Ru2(DPhF)3(OOCMe)(MeCN)(BF4),0.5CH2CL2","(μ-acetato)acetonitriletris(μ-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C348 H320 B8 Cl8 F32 N56 O16 Ru16 -","8","1","FR1512","Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping","A paramagnetic precursor for polymeric supramolecular assemblies based on multiply bonded dimetal units: μ-acetato-acetonitriletris(μ-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","Acta Crystallographica Section C","2005","61","2","m71","m73","10.1107/S0108270104032408","","","0.71073","MoKα","","0.0753","0.0563","","","0.1348","0.1443","","","","","","1.81","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2015648","12.849","0.003","10.672","0.002","6.4635","0.0013","90","","90","","90","","886.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium chromium niobium oxide phosphate","","- Cr0.5 K Nb0.5 O5 P -","- Cr0.5 K Nb0.5 O5 P -","- Cr4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs KM^III^~0.5~Nb~0.5~OPO~4~ (M = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","0.0504","0.0499","","","0.1141","0.1144","","","","","","1.242","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2015649","12.9675","0.0013","10.705","0.003","6.4638","0.0007","90","","90","","90","","897.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","potassium iron niobium oxide phosphate","","- Fe0.5 K Nb0.5 O5 P -","- Fe0.5 K Nb0.5 O5 P -","- Fe4 K8 Nb4 O40 P8 -","8","1","IZ3009","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Oleg V. Shishkin","Centrosymmetric aliovalent KTP isomorphs KM^III^~0.5~Nb~0.5~OPO~4~ (M = Cr and Fe)","Acta Crystallographica Section C","2006","62","11","i91","i93","10.1107/S0108270106028678","","","0.71073","MoKα","","","0.0482","","","","0.1125","","","","","","1.326","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2015930","7.4566","0.0002","11.8572","0.0004","22.6024","0.0007","90","","90","","90","","1998.38","0.11","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-poly[[[dichloridocobalt(II)]-μ-N,N'-bis(4-4-pyridylmethyl)oxalamide- κ^2^N:N'] hemihydrate]","","- C14 H15 Cl2 Co N4 O2.5 -","- C14 H15 Cl2 Co N4 O2.5 -","- C56 H60 Cl8 Co4 N16 O10 -","4","0.5","AV3082","Lee, Gene-Hsiang; Wang, Hsin-Ta","Hydrogen-bonded supramolecule of N,N'-bis(4-pyridylmethyl)oxalamide and a zigzag chain structure of catena-poly[[[dichloridocobalt(II)]-μ-N,N'-bis(4-pyridylmethyl)oxalamide-κ^2^N^4^:N^4'^] hemihydrate]","Acta Crystallographica Section C","2007","63","5","m216","m219","10.1107/S0108270107014527","","","0.71073","MoKα","","0.0889","0.0602","","","0.1747","0.1889","","","","","","1.186","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2016178","16.037","0.0003","14.692","0.0002","12.9942","0.0002","90","","90","","90","","3061.64","0.09","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","bis[hexaamminecobalt(III)] tetra-μ~2~-fluorido-tetradecafluoridotrizirconium(IV) hexahydrate","","- Co2 F18 H48 N12 O6 Zr3 -","- Co2 F18 H36 N12 O6 Zr3 -","- Co8 F72 H144 N48 O24 Zr12 -","4","0.5","BC3047","Gubanov, Alexander I.; Kuratieva, Natalia V.","Double complexes [Co(NH~3~)~5~(H~2~O)]~2~[Zr~3~F~18~]·6H~2~O and [Co(NH~3~)~6~]~2~[Zr~3~F~18~]·6H~2~O","Acta Crystallographica Section C","2007","63","10","i83","i85","10.1107/S010827010704108X","","","0.71073","MoKα","","0.0497","0.0408","","","0.1052","0.1096","","","","","","1.187","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2016693","5.774","0.0005","22.062","0.005","5.5","0.0012","90","","90","","90","","700.6","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","scandium tellurium trioxide fluoride","","- F O3 Sc Te -","- F O3 Sc Te -","- F8 O24 Sc8 Te8 -","8","1","SQ3138","Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe","Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F","Acta Crystallographica Section C","2008","64","7","i57","i61","10.1107/S0108270108017150","","","0.71073","MoKα","","0.0266","0.018","","","0.033","0.0351","","","","","","1.179","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2017084","12.398","0.002","10.1902","0.0019","23.773","0.005","90","","90","","90","","3003.4","1","193","2","193","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","Bis[4-(trimethylammonio)phenyl] disulfide diiodide acetone solvate","","- C24 H38 I2 N2 O2 S2 -","- C24 H38 I2 N2 O2 S2 -","- C96 H152 I8 N8 O8 S8 -","4","0.5","EG3006","Zhang, Zheng; Tang, Xiao-Yan; Lang, Jian-Ping; Chen, Jin-Xiang","Bis[4-(trimethylammonio)phenyl] disulfide diiodide acetone solvate","Acta Crystallographica Section C","2009","65","5","o211","o213","10.1107/S010827010901066X","","","0.7107","MoKα","","0.059","0.0562","","","0.0978","0.099","","","","","","1.15","","","","has coordinates,has Fobs","301798","2025-08-19","06:42:27","" "2018449","25.7648","0.0017","10.8166","0.0007","8.0542","0.0005","90","","90","","90","","2244.6","0.2","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","bis(methanolate)bis(tetrafluorobenzobarrelene)rhodium","","","- C26 H18 F8 O2 Rh2 -","- C26 H18 F8 O2 Rh2 -","- C104 H72 F32 O8 Rh8 -","4","0.5","BM3117","García-Orduña, Pilar; Mena, Inmaculada; Casado, Miguel A.; Lahoz, Fernando J.","Di-μ-methanolato-bis[(η^4^-tetrafluorobenzobarrelene)rhodium(I)]","Acta Crystallographica Section C","2012","68","4","m113","m116","10.1107/S0108270112012930","","","0.71073","MoKα","","0.0391","0.0289","","","0.0656","0.0693","","","","","","1.089","","","","has coordinates,has Fobs","301798","2025-08-19","06:44:12","" "2019985","11.619","0.004","23.173","0.008","9.165","0.003","90","","90","","90","","2467.6","1.4","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Benzil dihydrazone-N,N'-bis(3-chloro-1-formylbenzene)","1-(3-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C112 H80 Cl8 N16 -","4","0.5","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition–elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.1266","0.049","","","0.1203","0.1513","","","","","","0.984","","","","has coordinates,has Fobs","301798","2025-08-19","06:44:17","" "2020895","8.4242","0.0001","10.0515","0.0002","13.1557","0.0002","90","","90","","90","","1113.97","0.03","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","1,2-Bis(diaminomethylidene)hydrazine-1,2-diium tetrachloridocuprate(II)","","- C2 H10 Cl4 Cu N6 -","- C2 H10 Cl4 Cu N6 -","- C8 H40 Cl16 Cu4 N24 -","4","0.5","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.026","0.0239","","","0.0605","0.0613","","","","","","1.177","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00","" "2102536","13.869","0.004","10.851","0.003","12.799","0.005","90","","90","","90","","1926.2","1.1","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","tris(1,2-Di-imidobenzene)-technetium(vii) pertechnetate","","- C18 H18 N6 O4 Tc2 -","- C18 N6 Tc2 -","- C72 N24 Tc8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.1215","0.1215","","","0.6052","0.6059","","","","","","3.25","","","","has coordinates","176768","2020-10-21","18:00:00","" "2106089","15.839","","7.819","","9.151","","90","","90","","90","","1133.31","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","(Os0.05 Pu0.95)","","- Os0.05 Pu0.95 -","- Os0.05 Pu0.95 -","- Os2.6 Pu49.4 -","52","6.5","","Cromer, D.T.","The crystal structure of eta-Pu19 Os, a structure closely related to beta-Pu","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1945","1949","","","","","","","","","","","","","","","","","","","","","","has coordinates","141277","2020-10-21","18:00:00","" "2107293","13.6028","0.0014","12.3072","0.0013","7.8426","0.0008","90","","90","","90","","1312.9","0.2","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- Cs F7 Y2 -","- Cs F7 Y2 -","- Cs8 F56 Y16 -","8","1","BP5082","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0442","0.0347","","","0.0734","0.078","","","","","","1.137","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00","" "2107294","13.9359","0.0016","12.2412","0.0013","7.9329","0.0008","90","","90","","90","","1353.3","0.3","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- F7 Rb Sm2 -","- F7 Rb Sm2 -","- F56 Rb8 Sm16 -","8","1","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0499","0.0426","","","0.0983","0.1025","","","","","","1.115","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00","" "2107295","13.828","0.003","12.415","0.003","7.9681","0.0016","90","","90","","90","","1367.9","0.5","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- Cs F7 Gd2 -","- Cs F7 Gd2 -","- Cs8 F56 Gd16 -","8","1","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.054","0.0528","","","0.113","0.1135","","","","","","1.101","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00","" "2107309","7.2235","","9.7211","","9.5421","","90","","90","","90","","670.05","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","Ga Ga Cl4","","- Cl4 Ga2 -","- Cl4 Ga2 -","- Cl16 Ga8 -","4","0.5","","Wilkinson, A.P.; Cheetham, A.K.; Cox, D.E.","Study of oxidation-state contrast in gallium dichloride by synchrotron x-ray anomalous scattering","Acta Crystallographica B (39,1983-)","1991","47","","155","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","172010","2020-10-21","18:00:00","" "2108670","7.014","0.003","8.361","0.003","14.389","0.005","90","","90","","90","","843.8","0.6","326","2","326","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C12 H32 N8 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.048","0.035","","","0.095","0.1039","","","","","","1.095","","","","has coordinates,has disorder","256763","2020-10-21","18:00:00","" "2108671","6.962","0.003","8.368","0.003","14.388","0.004","90","","90","","90","","838.2","0.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C3 H8 N2 O6 P2 -","- C3 H8 N2 O6 P2 -","- C12 H32 N8 O24 P8 -","4","0.5","YB5027","Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.","Crystal structures and phase transitions of imidazolium hypodiphosphates","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620011439","","","0.71073","MoKα","","0.0456","0.0351","","","0.0865","0.0949","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","256763","2020-10-21","18:00:00","" "2204903","18.4522","0.0009","11.5264","0.0006","11.4079","0.0006","90","","90","","90","","2426.3","0.2","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","Tetra-n-butylammonium tetrachloro-iron","Tetrabutylammonium tetrachloroferrate(III)","","- C16 H36 Cl4 Fe N -","- C16 H36 Cl4 Fe N -","- C64 H144 Cl16 Fe4 N4 -","4","0.5","IS6021","Hay, Michael T.; Geib, Steven J.","Tetrabutylammonium tetrachloroferrate(III)","Acta Crystallographica Section E","2005","61","1","m190","m191","10.1107/S1600536804031824","","","0.71073","MoKα","","0.0804","0.0526","","","0.1623","0.1731","","","","","","1.331","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2206512","20.843","0.003","11.964","0.001","9.983","0.001","90","","90","","90","","2489.4","0.5","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","catena-Poly[[[tripyridinecopper(II)]-μ-m-phenylenedioxydiacetato] monohydrate]","","- C25 H25 Cu N3 O7 -","- C25 H25 Cu N3 O7 -","- C100 H100 Cu4 N12 O28 -","4","0.5","OB6545","Hong, Xian-Lan; Li, Yi-Zhi; Jiang, Guo-Qing; Bai, Jun-Feng","catena-Poly[[[tripyridinecopper(II)]-μ-m-phenylenedioxydiacetato] monohydrate]","Acta Crystallographica Section E","2005","61","8","m1556","m1558","10.1107/S1600536805021550","","","0.71073","MoKα","","0.0762","0.0507","","","0.128","0.1318","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2208158","14.4859","0.0009","12.5078","0.0007","8.3069","0.0005","90","","90","","90","","1505.1","0.16","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","Poly[bis(μ~2~-pyridyl-2,6-dicarboxylato)nickel(II)disodium(I)]","","- C14 H6 N2 Na2 Ni O8 -","- C14 H6 N2 Na2 Ni O8 -","- C56 H24 N8 Na8 Ni4 O32 -","4","0.5","SG6047","Xiang, Jing; Yin, Ye-Gao; Huang, Xiao-Chun","Poly[bis(μ~2~-pyridine-2,6-dicarboxylato)nickel(II)disodium(I)]","Acta Crystallographica Section E","2006","62","2","m213","m215","10.1107/S1600536805041826","","","0.71073","MoKα","","0.0296","0.0276","","","0.0735","0.0748","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2208386","16.927","0.001","36.212","0.002","8.5413","0.0007","90","","90","","90","","5235.5","0.6","173","2","173","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","ortho-Bis(dimethylsilyl)hexamethyldecasilasesquioxane","","- C10 H30 O11 Si8 -","- C10 H30 O11 Si8 -","- C80 H240 O88 Si64 -","8","1","NC2002","Bolte, Michael","ortho-Bis(dimethylsilyl)hexamethyldecasilasesquioxane","Acta Crystallographica Section E","2006","62","3","o983","o984","10.1107/S1600536806004545","","","0.71073","MoKα","","0.099","0.0704","","","0.1545","0.1632","","","","","","1.252","","","","has coordinates,has Fobs","301803","2025-08-19","11:20:56","" "2208805","18.5191","0.0011","11.5864","0.0007","11.4957","0.0007","90","","90","","90","","2466.6","0.3","291.2","0.3","291.2","0.3","","","","","","","","6","P n n a","-P 2a 2bc","52","","Tetrabutylammonium bromotrichloroferrate(III)","","- C16 H36 Br Cl3 Fe N -","- C16 H36 Br Cl3 Fe N -","- C64 H144 Br4 Cl12 Fe4 N4 -","4","0.5","BT2051","Kruszynski, Rafal; Wyrzykowski, Dariusz","Tetrabutylammonium bromotrichloroferrate(III)","Acta Crystallographica Section E","2006","62","5","m994","m996","10.1107/S1600536806012402","","","0.71073","MoKα","","0.0806","0.0631","","","0.1528","0.1644","","","","","","1.272","","","","has coordinates,has disorder,has Fobs","301803","2025-08-19","11:20:58","" "2209944","24.101","0.002","17.286","0.001","9.2556","0.0006","90","","90","","90","","3856","0.5","291","2","291","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-Poly[[bis(p-toluenesulfonato-κO)cadmium(II)]bis(μ~2~- 1,3-di-4-pyridylpropane-κ^2^N:N')]","","- C40 H42 Cd N4 O6 S2 -","- C40 H42 Cd N4 O6 S2 -","- C160 H168 Cd4 N16 O24 S8 -","4","0.5","LH2134","Ping, Lin; Wang, Zhi-Cheng; Ng, Seik Weng","Poly[[bis(p-toluenesulfonato-κO)cadmium(II)]bis(μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N')]","Acta Crystallographica Section E","2006","62","8","m1880","m1881","10.1107/S1600536806027231","","","0.71073","MoKα","","0.046","0.034","","","0.089","0.097","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2210796","19.896","0.009","11.483","0.004","6.614","0.002","90","","90","","90","","1511.1","1","298","1","","","","","","","","","","4","P n n a","-P 2a 2bc","52","","Dichlorobis(2,4-dichloro-5-fluorophenyl)methane","","- C13 H4 Cl6 F2 -","- C13 H4 Cl6 F2 -","- C52 H16 Cl24 F8 -","4","0.5","TK2067","Guang-Xiang Zhong; Kun Zhao; Ya-Ping Lü; Wei-Xiao Hu","Dichlorobis(2,4-dichloro-5-fluorophenyl)methane","Acta Crystallographica Section E","2006","62","10","o4629","o4630","10.1107/S1600536806037688","","","0.71075","MoKα","","","0.033","","","","0.088","","","","","","1.02","","","","has coordinates,has Fobs","301804","2025-08-19","12:25:32","" "2211010","13.546","0.004","33.654","0.011","3.7035","0.0012","90","","90","","90","","1688.3","0.9","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","1,4-Dihydro-3,6-dipyrazin-2-yl-1,2,4,5-tetrazine–benzene-1,3-dicarboxylic acid (1/1)","","- C18 H14 N8 O4 -","- C18 H14 N8 O4 -","- C72 H56 N32 O16 -","4","0.5","GG2015","Ji-Lin Lu; Da-Shun Zhang; Lin Li; Bei-Ping Liu","1,4-Dihydro-3,6-dipyrazin-2-yl-1,2,4,5-tetrazine–benzene-1,3-dicarboxylic acid (1/1)","Acta Crystallographica Section E","2006","62","11","o4855","o4857","10.1107/S1600536806039894","","","0.71073","MoKα","","0.0825","0.0398","","","0.0821","0.0981","","","","","","0.996","","","","has coordinates,has Fobs","301804","2025-08-19","12:25:32","" "2211465","9.279","0.005","16.055","0.005","12.474","0.005","90","0.005","90","0.005","90","0.005","1858.3","1.4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","cis-Dichlorobis[2-(2-pyridyl)-1H-imidazole-κN^3^]zinc(II) hemihydrate","","- C16 H15 Cl2 N6 O0.5 Zn -","- C16 H15 Cl2 N6 O0.5 Zn -","- C64 H60 Cl8 N24 O2 Zn4 -","4","0.5","HY2029","Dong-Xia Zhu; Ya-Qian Lan; Yao-Mei Fu; Zhong-Min Su","cis-Dichlorobis[2-(2-pyridyl)-1H-imidazole-κN^3^]zinc(II) hemihydrate","Acta Crystallographica Section E","2006","62","12","m3479","m3480","10.1107/S160053680604921X","","","0.71073","MoKα","","0.0344","0.0277","","","0.0898","0.0913","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2212255","16.0538","0.0002","19.2295","0.0002","9.0482","0.0001","90","","90","","90","","2793.24","0.05","100","0.1","100","0.1","","","","","","","","6","P n n a","-P 2a 2bc","52","","2,2'-(Oxydimethylene)bis[3-bromo-1-(phenylsulfonyl)-1H-indole]","","- C30 H22 Br2 N2 O5 S2 -","- C30 H22 Br2 N2 O5 S2 -","- C120 H88 Br8 N8 O20 S8 -","4","0.5","IS2138","G. Senthil Kumar; K. Chinnakali; R. Balamurugan; A. K. Mohanakrishnan; Hoong-Kun Fun","2,2'-(Oxydimethylene)bis[3-bromo-1-(phenylsulfonyl)-1H-indole]","Acta Crystallographica Section E","2007","63","2","o689","o691","10.1107/S160053680700089X","","","0.71073","MoKα","","0.0834","0.0541","","","0.1377","0.1548","","","","","","1.046","","","","has coordinates,has Fobs","301804","2025-08-19","12:25:35","" "2214661","13.546","0.004","33.654","0.011","3.7035","0.0012","90","","90","","90","","1688.3","0.9","294","2","294","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","Isophthalic acid–3,6-bis(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine (1/1)","","- C18 H14 N8 O4 -","- C18 H14 N8 O4 -","- C72 H56 N32 O16 -","4","0.5","GG3096","Fu, Xiao-Juan; Zhang, Zhi-Hui; Du, Miao","Isophthalic acid–3,6-bis(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine (1/1)","Acta Crystallographica Section E","2007","63","8","o3530","o3530","10.1107/S1600536807034423","","","0.71073","MoKα","","0.0833","0.0406","","","0.0899","0.1061","","","","","","1.057","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:25","" "2215604","14.476","0.003","12.643","0.003","8.2179","0.0016","90","","90","","90","","1504","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","Poly[bis(μ2-pyridine-2,6-dicarboxylato)cobalt(II)disodium(I)]","","- C14 H6 Co N2 Na2 O8 -","- C14 H6 Co N2 Na2 O8 -","- C56 H24 Co4 N8 Na8 O32 -","4","0.5","NC2057","Liu, Fu-Chen; Ouyang, Jie","Poly[bis(μ~2~-pyridine-2,6-dicarboxylato)cobalt(II)disodium(I)]","Acta Crystallographica Section E","2007","63","10","m2557","m2557","10.1107/S1600536807044121","","","0.71073","MoKα","","0.0338","0.0292","","","0.0667","0.0688","","","","","","1.162","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2216695","20.324","0.004","12.057","0.002","7.4706","0.0016","90","","90","","90","","1830.6","0.6","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","catena-Poly[[[diaquacopper(II)]-μ-pyridine-2,4-dicarboxylato- κ^3^N,O^2^:O^4^] 0.625-hydrate]","","- C7 H8.25 Cu N O6.625 -","- C7 H8.25 Cu N O6.625 -","- C56 H66 Cu8 N8 O53 -","8","1","NG2377","Martin, David P.; LaDuca, Robert L.","catena-Poly[[[diaquacopper(II)]-μ-pyridine-2,4-dicarboxylato-κ^3^N,O^2^:O^4^] 0.625-hydrate]","Acta Crystallographica Section E","2007","63","12","m3203","m3203","10.1107/S1600536807061946","","","0.71073","MoKα","","0.0692","0.0406","","","0.091","0.0992","","","","","","1.086","","","","has coordinates","176787","2020-10-21","18:00:00","" "2217270","17.121","0.003","17.308","0.003","10.0243","0.0017","90","","90","","90","","2970.5","0.9","294","2","294","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","4-Chloro-N-methyl-6-(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine","","- C14 H16 Cl N5 O -","- C14 H16 Cl N5 O -","- C112 H128 Cl8 N40 O8 -","8","1","RZ2182","Tao Zeng; Wan-Zhong Ren; Lie-Gang Sun","4-Chloro-N-methyl-6-(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine","Acta Crystallographica Section E","2008","64","1","o277","o277","10.1107/S1600536807066093","","","0.71073","MoKα","","0.1078","0.0452","","","0.1109","0.1361","","","","","","1","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:31","" "2217568","18.5082","0.0017","26.199","0.003","7.1726","0.0006","90","","90","","90","","3478","0.6","93","","","","","","","","","","","7","P n n a","-P 2a 2bc","52","","Poly[bis(acetone)bis{μ~3~-1-[(5-chloro-2-oxidophenyl)diazenyl]-2- naphtholato-κ^4^O:O,O':O'}sodium(I)chromium(III)]","","- C38 H30 Cl2 Cr N4 Na O6 -","- C38 H30 Cl2 Cr N4 Na O6 -","- C152 H120 Cl8 Cr4 N16 Na4 O24 -","4","0.5","IS2268","Ito, Shinpei; Sato, Yohei; Mizuguchi, Jin","Poly[bis(acetone-κO)bis{μ~3~-1-[(5-chloro-2-oxidophenyl)diazenyl]-2-naphtholato-κ^4^O:O,O':O'}sodium(I)chromium(III)]","Acta Crystallographica Section E","2008","64","2","m333","m334","10.1107/S1600536808000433","","","0.71075","MoKα","","","0.1099","","","","0.3179","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2218534","12.239","0.002","16.389","0.003","11.487","0.002","90","","90","","90","","2304.1","0.7","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","(E)-2-[2-(2-Thienyl)vinyl]-1H-1,3-benzimidazole","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","SJ2460","Hang, Tian; Ye, Qiong","(E)-2-[2-(2-Thienyl)vinyl]-1H-1,3-benzimidazole","Acta Crystallographica Section E","2008","64","6","o964","","10.1107/S1600536808006405","","","0.71073","MoKα","","0.1633","0.0843","","","0.1791","0.2137","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00","" "2222113","19.041","0.004","11.694","0.002","7.5371","0.0015","90","","90","","90","","1678.3","0.6","293.1","","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H14 Co N8 O8 -","- C12 H14 Co N8 O8 -","- C48 H56 Co4 N32 O32 -","4","0.5","NG2582","Xue, Min; Liu, Fu-Chen","Diaquabis(tetrazolo[1,5-a]pyridine-8-carboxylato-κ^2^N^1^,O)cobalt(II) dihydrate","Acta Crystallographica Section E","2009","65","6","m684","","10.1107/S1600536809019187","","","0.71073","MoKα","","0.0747","0.0546","","","0.085","0.0902","","","","","","1.214","","","","has coordinates,has Fobs","301805","2025-08-19","13:55:46","" "2222294","19.041","0.004","11.694","0.002","7.5371","0.0015","90","","90","","90","","1678.3","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H14 Mn N8 O8 -","- C12 H14 Mn N8 O8 -","- C48 H56 Mn4 N32 O32 -","4","0.5","DN2463","Zhao, Jian-De","Diaquabis(tetrazolo[1,5-a]pyridine-8-carboxylato-κ^2^N^1^,O)manganese(II) dihydrate","Acta Crystallographica Section E","2009","65","7","m812","","10.1107/S1600536809023253","","","0.71073","MoKα","","0.0363","0.0322","","","0.0791","0.0809","","","","","","1.199","","","","has coordinates,has Fobs","301805","2025-08-19","13:57:08","" "2223006","23.818","0.002","17.4359","0.001","9.3341","0.001","90","","90","","90","","3876.3","0.6","273","2","273","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-Poly[[bis(p-toluenesulfonato- κO)palladium(II)]bis(μ-1,3-di-4-pyridylpropane- κ^2^N:N')]","","- C40 H42 N4 O6 Pd S2 -","- C40 H42 N4 O6 Pd S2 -","- C160 H168 N16 O24 Pd4 S8 -","4","0.5","BX2229","Wang, Suwen; Yang, Tianyu; Li, Zhongfang; Yu, Xianjin","catena-Poly[[bis(p-toluenesulfonato-κO)palladium(II)]bis(μ-1,3-di-4-pyridylpropane-κ^2^N:N')]","Acta Crystallographica Section E","2009","65","9","m1116","","10.1107/S1600536809032760","","","0.71073","MoKα","","0.0407","0.0333","","","","0.0913","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00","" "2228391","6.1916","0.0001","28.5483","0.0006","7.1123","0.0001","90","","90","","90","","1257.17","0.04","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","Ammonium 4-(4-carboxyphenoxy)benzoate","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","0.5","HG2754","Li, He-Ping; Ng, Seik Weng","Ammonium 4-(4-carboxyphenoxy)benzoate","Acta Crystallographica Section E","2010","66","12","o3345","","10.1107/S1600536810048841","","","0.71073","MoKα","","0.0529","0.0493","","","0.1397","0.1455","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","301805","2025-08-19","13:58:13","" "2229095","8.72","0.005","20.102","0.004","13.483","0.005","90","","90","","90","","2363.4","1.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","catena-Poly[[bis[2-(2-pyridyl)-1-H-imidazole- κ^2^N^2^,N^3^]cadmium]-μ-benzene-1,3-dicarboxylato- κ^2^O^1^:O^3^]","","- C24 H18 Cd N6 O4 -","- C24 H18 Cd N6 O4 -","- C96 H72 Cd4 N24 O16 -","4","0.5","HY2397","Li, Chun-Jiang; Lu, Jing-Mei; Tu, Fan; Chen, Jing-Ying; Li, Yu-Jia","catena-Poly[[bis[2-(2-pyridyl)-1-H-imidazole-κ^2^N^2^,N^3^]cadmium]-μ-benzene-1,3-dicarboxylato-κ^2^O^1^:O^3^]","Acta Crystallographica Section E","2011","67","2","m269","m270","10.1107/S1600536811001243","","","0.71073","MoKα","","0.0738","0.0344","","","0.0907","0.1003","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00","" "2238973","18.2208","0.0007","15.7672","0.0009","11.7034","0.0007","90","","90","","90","","3362.3","0.3","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde","","- C22 H15 N3 O -","- C22 H15 N3 O -","- C176 H120 N24 O8 -","8","1","HG5369","Ramathilagam, C.; Umarani, P. R.; Venkatesan, N.; Rajakumar, P.; Gunasekaran, B.; Manivannan, V.","1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","2","o106","","10.1107/S1600536813034375","","","0.71073","MoKα","","0.0951","0.046","","","0.0999","0.118","","","","","","1.003","","","","has coordinates,has Fobs","301806","2025-08-19","15:27:29","" "2244203","10.4669","0.0006","26.589","0.0016","12.8313","0.0007","90","","90","","90","","3571","0.4","180","0.14","180.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","Bis{3-(3,5-dichlorophenyl)-5-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-4H-1,2,4-triazol-4-ido}iron(II) methanol disolvate","","- C34 H26 Cl4 Fe N12 O2 -","- C34 H26 Cl4 Fe N12 O2 -","- C136 H104 Cl16 Fe4 N48 O8 -","4","0.5","EX2061","Znovjyak, Kateryna; Seredyuk, Maksym; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu","Crystal structure of bis{3-(3,5-dichlorophenyl)-5-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-4H-1,2,4-triazol-4-ido}iron(II) methanol disolvate","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010507","","","0.71073","MoKα","","0.1395","0.0679","","","0.1097","0.1334","","","","","","1.023","","","","has coordinates,has Fobs","278948","2022-11-05","02:51:53","" "2312832","26.428","0.01","17.871","0.007","9.627","0.004","90","","90","","90","","4547","3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[diaqua[μ-4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine]bis(μ-naphthalene-1,4-dicarboxylato)dicobalt(II)]","","- C49 H40 Co2 N4 O14 -","- C49 H40 Co2 N4 O14 -","- C196 H160 Co8 N16 O56 -","4","0.5","DG3071","Lian, Zhaoxun; Zhao, Ning","Investigation into the third-order nonlinear optical properties of a three-dimensional cobalt(II) coordination polymer constructed from naphthalene-1,4-dicarboxylic acid and 4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine.","Acta crystallographica. Section C, Structural chemistry","2025","81","6","","","10.1107/S2053229625003894","","","0.71073","MoKα","","0.0505","0.0341","","","0.0867","0.0944","","","","","","1.05","","","","has coordinates,has Fobs","299592","2025-05-09","02:01:39","" "2312862","14.705","0.003","17.574","0.004","10.029","0.002","90","0.03","90","0.03","90","0.03","2591.8","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[[μ-4,4'-bis(2-methyl-1H-imidazol-1-yl)-1,1'-biphenyl-κ^2^N^3^:N^3'^](μ-5-nitrobenzene-1,3-dicarboxylato-κ^2^O^1^:O^3^)cobalt(II)]","","- C28 H21 Co N5 O6 -","- C28 H21 Co N5 O6 -","- C112 H84 Co4 N20 O24 -","4","0.5","DG3072","Cheng, Weiwei; Mei, Jie; Jiang, Haijian; Jiang, Weina","A threefold interpenetrated three-dimensional cobalt(II) coordination polymer with highly sensitive sensing for nitrofurazone in aqueous medium.","Acta crystallographica. Section C, Structural chemistry","2025","81","7","","","10.1107/S2053229625004838","","","0.71075","MoKα","","0.049","0.0364","","","0.0822","0.0868","","","","","","0.995","","","","has coordinates,has Fobs","300204","2025-06-26","02:21:49","" "4001404","10.2524","0.0008","11.5653","0.0009","7.4719","0.0006","90","","90","","90","","885.96","0.12","163","2","163","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C4 H4 Co N2 O6 V2 -","- C4 H4 Co N2 O6 V2 -","- C16 H16 Co4 N8 O24 V8 -","4","0.5","","Khan, M. Ishaque; Yohannes, Elizabeth; Golub, Vladimir O.; O'Connor, Charles J.; Doedens, Robert J.","Mixed-Valence and Neutral Framework Inorganic−Organic Hybrid Materials: Synthesis, Characterization, and Magnetic Properties of [{Co(N(CH)4N)}(V2O5)2] and [{Co(N(CH)4N)}V2O6]","Chemistry of Materials","2007","19","20","4890","","10.1021/cm071415n","","","0.71073","MoKα","","0.0199","0.0182","","","0.0541","0.0547","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00","" "4002149","28.4095","0.0012","28.0922","0.0011","9.4743","0.0005","90","","90","","90","","7561.3","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H23 N7 O Zn -","- C27 H23 N7 O Zn -","- C216 H184 N56 O8 Zn8 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","1.54178","CuKα","","0.1057","0.0805","","","0.2377","0.2657","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00","" "4002360","15.631","","6.793","","6.599","","90","","90","","90","","700.691","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","","","- Bi3 Sr2 -","- Bi3 Sr2 -","- Bi12 Sr8 -","4","0.5","","Merlo, F.; Fornasini, M.L.","Crystal structure of some phases and alloying behaviour in alkaline earths, europium and yttrium pnictides","Chemistry of Materials (1,1989-)","1992","4","","435","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4002430","12.741","","10.2211","","6.2239","","90","","90","","90","","810.52","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","K Al P O4 (O H)","","- Al H K O5 P -","- Al K O5 P -","- Al8 K8 O40 P8 -","8","1","","Vaughan, D.E.W.; Yennawar, H.P.; Perrotta, J.","Synthesis and structure of an aluminophosphate built from 3-rings","Chemistry of Materials (1,1989-)","2007","18","","3611","3615","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4003088","12.6371","0.001","13.9398","0.001","14.1728","0.0012","90","","90","","90","","2496.7","0.3","100","0.1","100","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H40 Cl5 N2 Sb -","- C16 H40 Cl5 N2 Sb -","- C64 H160 Cl20 N8 Sb4 -","4","0.5","","Li, Zhongyuan; Li, Ye; Liang, Pei; Zhou, Tianliang; Wang, Le; Xie, Rong-Jun","Dual-Band Luminescent Lead-Free Antimony Chloride Halides with Near-Unity Photoluminescence Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02935","","x-ray","1.54178","CuKα","","0.0773","0.0735","","","0.2018","0.2075","","","","","","1.086","","","","has coordinates,has disorder","225395","2020-10-21","18:00:00","" "4026198","15.36","0.002","12.783","0.0016","19.119","0.002","90","","90","","90","","3754","0.8","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione","","- C16 H20 O2 S2 Si2 -","- C16 H20 O2 S2 Si2 -","- C128 H160 O16 S16 Si16 -","8","1","","Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties","Journal of Organic Chemistry","2011","76","","2660","2671","10.1021/jo102502u","","","0.71073","MoKα","","0.0307","0.0257","","","0.0707","0.0742","","","","","","1.05","","","","has coordinates","301812","2025-08-19","20:48:24","" "4027942","11.4978","0.001","11.519","0.0013","18.4158","0.0015","90","","90","","90","","2439","0.4","170","","170","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C30 H26 Cl2 N2 -","- C30 H26 Cl2 N2 -","- C120 H104 Cl8 N8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.1307","0.0986","","0.0908","0.0811","0.0811","","","","","","0.9865","","","","has coordinates","178458","2020-10-21","18:00:00","" "4030677","12.982","0.004","11.191","0.001","27.681","0.008","90","","90","","90","","4021.5","1.7","","","293","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H4 F12 O10 Rh2 -","- C8 F12 O10 Rh2 -","- C64 F96 O80 Rh16 -","8","1","","Cotton, F. A.; Kim, Y.","Three Rh2(O2CCF3)4L2 compounds, with L = H2O, tetrahydrofuran and acetonitrile","European Journal of Solid State and Inorganic Chemistry","1994","31","","525","534","","","x-ray","0.71073","MoKα","","","0.07","","","0.08","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00","" "4030736","10.717","0.001","20.823","0.004","6.5296","0.0009","90","","90","","90","","1457.1","0.4","","","293","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- Fe3 H2 K3 O17 P4 -","- Fe3 H2 K3 O17 P4 -","- Fe12 H8 K12 O68 P16 -","4","0.5","","Kwang-Hwa Lii","K3Fe3(PO4)4.H2O: an iron(III) phosphate with a layer structure","European Journal of Solid State and Inorganic Chemistry","1995","32","","917","926","","","x-ray","0.7093","MoKα","","","0.0285","","","0.035","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4032644","15.5207","0.0019","28.081","0.004","7.3931","0.0009","90","","90","","90","","3222.2","0.7","173","","173","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C42 H14 F14 -","- C42 H14 F14 -","- C168 H56 F56 -","4","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0748","","","","0.1008","","","","","","1.243","","","","has coordinates","301828","2025-08-20","10:32:32","" "4035590","16.9451","0.0012","31.169","0.002","9.0524","0.0006","90","","90","","90","","4781.1","0.6","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H48 Br4 N6 Pd2 -","- C41 H48 Br4 N6 Pd2 -","- C164 H192 Br16 N24 Pd8 -","4","0.5","","Reddy Panyam, Pradeep Kumar; Ugale, Bharat; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene Catalyzed One-Pot Sequential α-Arylation/Alkylation: Access to 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2018","83","15","7622","7632","10.1021/acs.joc.8b00264","","","0.71073","MoKα","","0.0475","0.0436","","","0.1108","0.1131","","","","","","1.135","","","","has coordinates","227038","2020-10-21","18:00:00","" "4038880","29.9197","0.0013","21.7163","0.0008","12.1918","0.0004","90","","90","","90","","7921.6","0.5","200","2","200","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C90 H108 N6 -","- C90 H108 N6 -","- C360 H432 N24 -","4","0.5","","Schick, Tobias H. G.; Rominger, Frank; Mastalerz, Michael","Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01887","","","1.54178","CuKα","","0.1258","0.0614","","","0.1262","0.1555","","","","","","1.063","","","","has coordinates,has disorder","258307","2020-10-21","18:00:00","" "4061118","25.397","0.0002","16.399","0.0004","8.552","0.0008","90","","90","","90","","3561.8","0.3","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C26 H40 Cr N2 O10 Te2 W2 -","- C26 H40 Cr N2 O10 Te2 W2 -","- C104 H160 Cr4 N8 O40 Te8 W8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "4061823","19.1819","0.0014","25.361","0.002","15.9512","0.0011","90","","90","","90","","7759.8","1","133","2","133","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C44 H44 Au2 P2 -","- C44 H44 Au2 P2 -","- C352 H352 Au16 P16 -","8","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M; Jones, Peter G.","Gold(I) and Silver(I)/Gold(I) Complexes Derived from C~6~Me~4~(C⋮CH)~2~-1,2","Organometallics","2005","24","19","4666","4675","10.1021/om050418b","","","","","","","","","","","","","","","","","","","","","has coordinates","188742","2020-10-21","18:00:00","" "4062352","16.0504","0.0016","16.9112","0.0018","8.8811","0.001","90","","90","","90","","2410.6","0.4","220","2","220","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H36 Cl2 Fe P2 Pt -","- C22 H36 Cl2 Fe P2 Pt -","- C88 H144 Cl8 Fe4 P8 Pt4 -","4","0.5","","Ong, Joyce H. L.; Nataro, Chip; Golen, James A.; Rheingold, Arnold L.","Electrochemistry of Late Transition Metal Complexes Containing the Ligand 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)","Organometallics","2003","22","24","5027","5032","10.1021/om0340138","","","","","","","","","","","","","","","","","","","","","has coordinates","192154","2020-10-21","18:00:00","" "4070898","17.773","0.002","22.528","0.003","12.7374","0.0014","90","","90","","90","","5099.9","1.1","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C38 H78 B9 N9 Zr -","- C38 H60 B9 N9 Zr -","- C152 H240 B36 N36 Zr4 -","4","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.0928","0.0624","","","0.1716","0.2186","","","","","","1.088","","","","has coordinates","178597","2020-10-21","18:00:00","" "4070899","17.7855","0.0013","22.6517","0.0016","13.1899","0.001","90","","90","","90","","5313.8","0.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 H84 B9 N9 Zr -","- C44 H66 B9 N9 Zr -","- C176 H264 B36 N36 Zr4 -","4","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.1416","0.0664","","","0.2005","0.2532","","","","","","0.997","","","","has coordinates","178597","2020-10-21","18:00:00","" "4070900","17.7492","0.0013","22.5137","0.0017","13.1185","0.001","90","","90","","90","","5242.2","0.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 H84 B9 Hf N9 -","- C44 H66 B9 Hf N9 -","- C176 H264 B36 Hf4 N36 -","4","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.089","0.0413","","","0.1169","0.1398","","","","","","1.042","","","","has coordinates","178598","2020-10-21","18:00:00","" "4071106","12.4868","0.0007","13.0255","0.0007","23.7555","0.0013","90","","90","","90","","3863.8","0.4","153","2","153","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32.5 H16 N1.5 O11.5 Si Zn2 -","- C32.5 H16 N1.5 O11.5 Si Zn2 -","- C130 H64 N6 O46 Si4 Zn8 -","4","0.5","","Lambert, Joseph B.; Liu, Zhongqiang; Liu, Chunqing","Metal−Organic Frameworks from Silicon- and Germanium-Centered Tetrahedral Ligands","Organometallics","2008","27","7","1464","","10.1021/om701262m","","","0.71073","MoKα","","0.0633","0.0537","","","0.1802","0.1906","","","","","","1.122","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4071340","23.504","0.01","20.767","0.005","10.3578","0.0015","90","","90","","90","","5056","3","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C60 H48 Cl4 O2 P2 -","- C60 H48 Cl4 O2 P2 -","- C240 H192 Cl16 O8 P8 -","4","0.5","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels–Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0648","0.0456","","","0.105","0.1195","","","","","","1.069","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20","" "4072634","17.3068","0.001","13.2544","0.0008","8.1088","0.0005","90","","90","","90","","1860.09","0.19","105","","105","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C20 H18 F6 N2 -","- C20 H18 F6 N2 -","- C80 H72 F24 N8 -","4","0.5","","Lersch, Martin; Krivokapic, Alexander; Tilset, Mats","Synthesis and Structural Characterization of a Fluorinated α-Diimine Platinum(II) Complex","Organometallics","2007","26","7","1581","","10.1021/om060897u","","","0.71073","MoKα","","0.0682","0.0441","","0.0736","0.0482","0.0482","","","","","","1.1095","","","","has coordinates","301830","2025-08-20","13:17:21","" "4073290","16.073","0.005","16.716","0.005","18.411","0.007","90","","90","","90","","4947","3","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C54 H47 Cl3 F8 N4 O -","- C54 H47 Cl3 F8 N4 O -","- C216 H188 Cl12 F32 N16 O4 -","4","0.5","","Pilz, Maurice Frederic; Limberg, Christian; Lazarov, Boyan B.; Hultzsch, Kai C.; Ziemer, Burkhard","Dinuclear Zinc Complexes Based on Parallel β-Diiminato Binding Sites: Syntheses, Structures, and Properties as CO2/Epoxide Copolymerization Catalysts","Organometallics","2007","26","15","3668","","10.1021/om070221e","","","0.71073","MoKα","","0.1339","0.1134","","","0.2277","0.2388","","","","","","1.213","","","","has coordinates,has disorder","178621","2020-10-21","18:00:00","" "4075674","12.515","0.002","25.187","0.003","14.685","0.002","90","","90","","90","","4628.9","1.1","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C46 H58 P2 Pt -","- C46 H10 P2 Pt -","- C184 H40 P8 Pt4 -","4","0.5","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.1806","0.0728","","","0.1748","0.2185","","","","","","1.002","","","","has coordinates","178645","2020-10-21","18:00:00","" "4077023","7.843","0.004","11.556","0.006","12.868","0.006","90","","90","","90","","1166.3","1","143","1","143","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H16 Cl2 N2 Pd -","- C8 H16 Cl2 N2 Pd -","- C32 H64 Cl8 N8 Pd4 -","4","0.5","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0573","0.0493","","0.103","0.1002","","","","1.239","1.288","1.288","","","","","has coordinates","178659","2020-10-21","18:00:00","" "4077066","21.774","0.004","24.507","0.005","16.699","0.003","90","","90","","90","","8911","3","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44.67 H72 O17.33 P5.33 Sn2.67 -","- C44.6667 H72 O17.3333 P5.33333 Sn2.66667 -","- C268 H432 O104 P32 Sn16 -","6","0.75","","Chandrasekhar, Vadapalli; Baskar, Viswanathan; Steiner, Alexander; Zacchini, Stefano","Synthesis of a Tetranuclear Organooxotin Cage by Debenzylation Reactions: X-ray Crystal Structure of [(PhCH2)2Sn2O(O2P(OH)-t-Bu)4]2","Organometallics","2002","21","21","4528","","10.1021/om020531r","","","0.71073","MoKα","","0.041","0.0233","","","0.0649","0.072","","","","","","1.082","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00","" "4082751","20.456","0.004","17.299","0.003","9.0187","0.0017","90","","90","","90","","3191.4","1","173","2","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H58 N P2 Rh Si2 -","- C24 H58 N P2 Rh Si2 -","- C96 H232 N4 P8 Rh4 Si8 -","4","0.5","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.043","0.0319","","","0.0686","0.0728","","","","","","1.069","","","","has coordinates","301831","2025-08-20","13:52:14","" "4082752","20.2627","0.0014","17.1177","0.0012","8.921","0.0006","90","","90","","90","","3094.3","0.4","173","","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C25 H58 N P2 Rh Si -","- C25 H58 N P2 Rh Si -","- C100 H232 N4 P8 Rh4 Si4 -","4","0.5","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.0406","0.0265","","","0.0529","0.056","","","","","","1.001","","","","has coordinates,has disorder","301831","2025-08-20","13:52:14","" "4084516","18.5202","0.001","21.1053","0.0012","14.7508","0.0008","90","","90","","90","","5765.7","0.5","90","2","90","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C58 H75 Al -","- C58 H75 Al -","- C232 H300 Al4 -","4","0.5","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","0.71073","MoKα","","0.0638","0.0429","","","0.1048","0.1182","","","","","","1.019","","","","has coordinates","178734","2020-10-21","18:00:00","" "4084569","11.7205","0.0006","34.9552","0.0016","11.7241","0.0006","90","","90","","90","","4803.3","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Au F3 P -","- C4 H9 Au F3 P -","- C96 H216 Au24 F72 P24 -","24","3","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0488","0.0377","","","0.0833","0.0875","","","","","","1.058","","","","has coordinates","178734","2020-10-21","18:00:00","" "4085262","15.998","0.003","31.709","0.005","15.903","0.002","90","","90","","90","","8067","2","93","","93","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 Au B F4 N4 -","- C42 H48 Au B F4 N4 -","- C336 H384 Au8 B8 F32 N32 -","8","1","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0407","","","","0.0696","","","","","","1.003","","","","has coordinates","178741","2020-10-21","18:00:00","" "4085309","18.2435","0.0003","30.6273","0.0004","12.6638","0.0002","90","","90","","90","","7075.89","0.19","103","2","103","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H108 Ge2 Si8 -","- C58 H108 Ge2 Si8 -","- C232 H432 Ge8 Si32 -","4","0.5","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Guo, Jing-Dong; Nagase, Shigeru; Streubel, Rainer; Tokitoh, Norihiro","Synthesis and Characterization of a 1,2-Digermabenzene","Organometallics","2015","34","11","2106","","10.1021/om501204u","","","0.71075","MoKα","","0.0579","0.0405","","","0.1008","0.1128","","","","","","1.034","","","","has coordinates","178742","2020-10-21","18:00:00","" "4086577","9.6573","0.0007","14.9056","0.0011","13.0267","0.001","90","","90","","90","","1875.2","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C19 H22 Au N O2 S2 -","- C19 H22 Au N O2 S2 -","- C76 H88 Au4 N4 O8 S8 -","4","0.5","","Nilakantan, Lakshmi; McMillin, David R.; Sharp, Paul R.","Emissive Biphenyl Cyclometalated Gold(III) Diethyl Dithiocarbamate Complexes","Organometallics","2016","35","14","2339","","10.1021/acs.organomet.6b00275","","","0.71073","MoKα","","0.0177","0.0139","","","0.0321","0.0333","","","","","","1.053","","","","has coordinates","184946","2020-10-21","18:00:00","" "4103716","16.4797","0.0006","15.5746","0.0005","15.3467","0.0005","90","","90","","90","","3939","0.2","223","2","223","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 Cr N4 -","- C36 H72 Cr N4 -","- C144 H288 Cr4 N16 -","4","0.5","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0516","0.0415","","","0.114","0.1241","","","","","","1.007","","","","has coordinates,has disorder","301832","2025-08-20","14:35:18","" "4103717","16.5902","0.0008","15.6242","0.0008","15.5439","0.0008","90","","90","","90","","4029.1","0.4","223","2","223","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 Mo N4 -","- C36 H72 Mo N4 -","- C144 H288 Mo4 N16 -","4","0.5","","Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman","Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes","Journal of the American Chemical Society","2010","132","","18014","18016","10.1021/ja108265y","","","0.71073","MoKα","","0.0547","0.0303","","","0.0797","0.0958","","","","","","0.987","","","","has coordinates,has disorder","301832","2025-08-20","14:35:18","" "4104132","20.786","0.007","17.808","0.006","8.229","0.003","90","","90","","90","","3046","1.8","140","2","140","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C38 H46 Zr -","- C38 H46 Zr -","- C152 H184 Zr4 -","4","0.5","","Adam D. Miller; John F. Tannaci; Samuel A. Johnson; Hyuk Lee; Jennifer L. McBee; T. Don Tilley","Mesityl Alkyne Substituents for Control of Regiochemistry and Reversibility in Zirconocene Couplings: New Synthetic Strategies for Unsymmetrical Zirconacyclopentadienes and Conjugated Polymers","Journal of the American Chemical Society","2009","131","","4917","4927","10.1021/ja809896t","","","0.71073","MoKα","","0.0973","0.0371","","","0.0641","0.0719","","","","","","0.708","","","","has coordinates","178787","2020-10-21","18:00:00","" "4104316","31.88","0.002","8.5607","0.0006","10.1357","0.0007","90","","90","","90","","2766.2","0.3","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","perylen","","","- C36 H6 F12 N2 O4 -","- C36 H6 F12 N2 O4 -","- C144 H24 F48 N8 O16 -","4","0.5","","Rüdiger Schmidt; Joon Hak Oh; Ya-Sen Sun; Manuela Deppisch; Ana-Maria Krause; Krzysztof Radacki; Holger Braunschweig; Martin Könemann; Peter Erk; Zhenan Bao; Frank Würthner","High-Performance Air-Stable n-Channel Organic Thin Film Transistors Based on Halogenated Perylene Bisimide Semiconductors","Journal of the American Chemical Society","2009","131","","6215","6228","10.1021/ja901077a","","","0.71073","MoKα","","0.0487","0.0406","","","0.1072","0.1127","","","","","","1.101","","","","has coordinates,has disorder","301832","2025-08-20","14:35:18","" "4104786","28.414","0.012","41.636","0.008","29.307","0.007","90","","90","","90","","34672","18","123","2","123","2","","","","","","","","9","P n n a","-P 2a 2bc","52","{[(dppp)Pd(LPr)]2.4OTF}4.5Toluene","{[(dppp)Pd(LPr)]2.4OTF}.4.5Toluene","","- C127.5 H125.5 F12 N12 O12 P4 Pd2 Pt0 S4 -","- C127.5 H124 F12 N12 O12 P4 Pd2 S4 -","- C1020 H992 F96 N96 O96 P32 Pd16 S32 -","8","1","","Jinzhen Lu; David R. Turner; Lindsay P. Harding; Lindsay T. Byrne; Murray V. Baker; Stuart R. Batten","Octapi Interactions: Self-Assembly of a Pd-Based [2]Catenane Driven by Eightfold π Interactions","Journal of the American Chemical Society","2009","131","","10372","10373","10.1021/ja9041912","","","0.77343","Synchrotron","","0.1668","0.1487","","","0.434","0.4549","","","","","","2.077","","","","has coordinates","176467","2020-10-21","18:00:00","" "4106167","12.953","0.0005","10.6466","0.0003","6.4469","0.0003","90","","90","","90","","889.06","0.06","293","2","120","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C H6 F Fe N O4 P -","- C F Fe N0.65 O4 P -","- C8 F8 Fe8 N5.2 O32 P8 -","8","1","","Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller","Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates","Journal of the American Chemical Society","2011","133","","8252","8263","10.1021/ja201096b","","","0.71073","MoKα","","0.0868","0.0789","","","0.1764","0.1795","","","","","","1.397","","","","has coordinates","178807","2020-10-21","18:00:00","" "4106366","16.51","0.003","14.417","0.003","14.91","0.003","90","","90","","90","","3548.9","1.2","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C88 H64 Cu4 F24 N16 O24 S8 -","4","0.5","","Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh","Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities","Journal of the American Chemical Society","2011","133","","10512","10522","10.1021/ja201170c","","","0.71073","MoKα","","0.1096","0.0704","","0.2133","0.1965","","","","1.072","","","","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00","" "4109164","14.689","0.0006","16.472","0.0006","8.354","0.0012","90","","90","","90","","2021.3","0.3","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C20 H28 N2 Zn -","- C20 H28 N2 Zn -","- C80 H112 N8 Zn4 -","4","0.5","","Janusz Lewiński; Maciej Dranka; Wojciech Bury; Witold Śliwiński; Iwona Justyniak; Janusz Lipkowski","From Discrete Linear ZntBu2 Molecules to 1D Coordination Polymers and 2D Fabrics","Journal of the American Chemical Society","2007","129","","3096","3098","10.1021/ja067229k","","","0.71073","MoKα","","0.0555","0.0288","","","0.064","0.0685","","","","","","0.966","","","","has coordinates","178837","2020-10-21","18:00:00","" "4109686","24.6647","0.0012","19.1622","0.0009","16.6761","0.0008","90","","90","","90","","7881.6","0.7","153","2","153","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H45 F5 N O7 P -","- C38 H37 F5 N O5 P -","- C304 H296 F40 N8 O40 P8 -","8","1","","Bradley O. Ashburn; Rich G. Carter; Lev N. Zakharov","Synthesis of Tetra-ortho-substituted, Phosphorus-Containing and Carbonyl-Containing Biaryls Utilizing a Diels-Alder Approach","Journal of the American Chemical Society","2007","129","","9109","9116","10.1021/ja071163r","","","0.71073","MoKα","","0.0605","0.0429","","","0.107","0.1149","","","","","","1.055","","","","has coordinates,has disorder","178842","2020-10-21","18:00:00","" "4112718","12.0952","0.0008","25.5168","0.0016","26.5227","0.0016","90","","90","","90","","8185.7","0.9","203","1","203","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C76 H122 O2 Si6 Y4 -","- C76 H116 O2 Si6 Y4 -","- C304 H464 O8 Si24 Y16 -","4","0.5","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.1048","0.0418","","","0.0729","0.0833","","","","","","0.947","","","","has coordinates","178898","2020-10-21","18:00:00","" "4114112","11.151","0.002","10.743","0.002","17.987","0.004","90","","90","","90","","2154.8","0.7","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","(o-C6F4Hg)3-(Me2S)","","","- C20 H6 F12 Hg3 S -","- C20 H6 F12 Hg3 S -","- C80 H24 F48 Hg12 S4 -","4","0.5","","Mitsukimi Tsunoda; François P. Gabbaï","Hexacoordination of a Dimethyl Sulfide Molecule","Journal of the American Chemical Society","2003","125","","10492","10493","10.1021/ja036197n","","","0.71073","MoKα","","0.1012","0.0702","","","0.1106","0.1221","","","","","","1.046","","","","has coordinates","178912","2020-10-21","18:00:00","" "4117627","7.3064","0.0002","32.6024","0.001","12.5442","0.0004","90","","90","","90","","2988.11","0.16","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H24 F6 Mg N2 O8 -","- C29 H24 F6 Mg N2 O8 -","- C116 H96 F24 Mg4 N8 O32 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0548","0.046","","","0.1261","0.1329","","","","","","1.055","","","","has coordinates","178947","2020-10-21","18:00:00","" "4117629","9.3105","0.0003","26.894","0.0008","11.2146","0.0003","90","","90","","90","","2808.1","0.14","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H20 F6 Mg N2 O6 -","- C29 H20 F6 Mg N2 O6 -","- C116 H80 F24 Mg4 N8 O24 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0654","0.0634","","","0.143","0.1452","","","","","","1.16","","","","has coordinates","178947","2020-10-21","18:00:00","" "4118072","7.699","0.003","17.608","0.008","15.09","0.007","90","","90","","90","","2045.7","1.5","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H6.5 N1.5 O3 Zn0.5 -","- C10 H6.5 N1.5 O3 Zn0.5 -","- C80 H52 N12 O24 Zn4 -","8","1","","Satoshi Horike; Keisuke Kishida; Yoshihiro Watanabe; Yasutaka Inubushi; Daiki Umeyama; Masayuki Sugimoto; Tomohiro Fukushima; Munehiro Inukai; Susumu Kitagawa","Dense Coordination Network Capable of Selective CO2 Capture from C1 and C2 Hydrocarbons","Journal of the American Chemical Society","2012","134","","9852","9855","10.1021/ja302043u","","","0.71075","MoKα","","0.1261","0.0694","","","0.1777","0.2109","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00","" "4119018","14.676","0.003","34.656","0.008","14.788","0.003","90","","90","","90","","7521","3","100","0.1","100","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","[L(Me)Fe]2(u-C10H10N2)","","","- C83 H114 Fe2 N8 -","- C83 H114 Fe2 N8 -","- C332 H456 Fe8 N32 -","4","0.5","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1099","0.0649","","","0.1244","0.1417","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00","" "4119044","30.475","0.004","18.73","0.002","9.4164","0.0012","90","","90","","90","","5374.9","1.1","100","2","100","2","","","","","","","1,2-difluorobenzene, diethylether","8","P n n a","-P 2a 2bc","52","","","","- C22 H27 B F5 Fe Ni O3 S4 -","- C22 H27 B F5 Fe Ni O3 S4 -","- C176 H216 B8 F40 Fe8 Ni8 O24 S32 -","8","1","","Katharina Weber; Tobias Krämer; Hannah S. Shafaat; Thomas Weyhermüller; Eckhard Bill; Maurice van Gastel; Frank Neese; Wolfgang Lubitz","A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation","Journal of the American Chemical Society","2012","134","","20745","20755","10.1021/ja309563p","","","0.71073","MoKα","","0.069","0.0377","","","0.0731","0.0827","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00","" "4120753","15.9362","0.0002","31.6465","0.0003","15.8633","0.0001","90","","90","","90","","8000.26","0.14","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 Au B F4 N4 -","- C42 H48 Au B F4 N4 -","- C336 H384 Au8 B8 F32 N32 -","8","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0216","0.0176","","","0.0388","0.0402","","","","","","1.062","","","","has coordinates","178984","2020-10-21","18:00:00","" "4121597","12.4892","0.0015","13.6324","0.0015","12.1687","0.0015","90","","90","","90","","2071.8","0.4","228","2","228","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0882","0.0794","","","0.1946","0.1986","","","","","","1.195","","","","has coordinates","179017","2020-10-21","18:00:00","" "4121867","8.5164","0.0003","11.9772","0.0004","9.0562","0.0003","90","","90","","90","","923.76","0.05","293","0.14","293","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0264","0.021","","","0.0549","0.0586","","","","","","1.057","","","","has coordinates","179020","2020-10-21","18:00:00","" "4121869","8.5303","0.0003","11.9918","0.0004","9.0531","0.0003","90","","90","","90","","926.07","0.05","333","0.14","333","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0285","0.0224","","","0.0572","0.0606","","","","","","1.075","","","","has coordinates","179020","2020-10-21","18:00:00","" "4121870","8.5389","0.0003","11.9989","0.0004","9.0517","0.0003","90","","90","","90","","927.41","0.05","353","0.14","353","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0287","0.0219","","","0.0544","0.0599","","","","","","1.08","","","","has coordinates","179020","2020-10-21","18:00:00","" "4121871","8.5471","0.0003","12.0046","0.0004","9.0496","0.0003","90","","90","","90","","928.53","0.05","373","0.14","373","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0299","0.0227","","","0.0595","0.0656","","","","","","1.043","","","","has coordinates","179020","2020-10-21","18:00:00","" "4121873","8.522","0.0003","11.9877","0.0004","9.054","0.0003","90","","90","","90","","924.95","0.05","313","0.14","313","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.028","0.0228","","","0.0576","0.0615","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00","" "4121874","8.5611","0.0003","12.0204","0.0004","9.0426","0.0003","90","","90","","90","","930.55","0.05","413","0.14","413","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0321","0.0245","","","0.0645","0.0702","","","","","","1.088","","","","has coordinates","179020","2020-10-21","18:00:00","" "4121875","8.5538","0.0003","12.0096","0.0004","9.0457","0.0003","90","","90","","90","","929.24","0.05","393","0.14","393","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0313","0.0237","","","0.0607","0.0663","","","","","","1.053","","","","has coordinates","179020","2020-10-21","18:00:00","" "4122312","7.8576","0.001","24.637","0.003","13.7898","0.0017","90","","90","","90","","2669.5","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H7 Ag N4 O3 -","- C8 H7 Ag N4 O3 -","- C64 H56 Ag8 N32 O24 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.2075","0.1771","","","0.3726","0.3846","","","","","","1.202","","","","has coordinates","179025","2020-10-21","18:00:00","" "4122342","12.7307","0.0006","9.8601","0.0003","17.6478","0.001","90","","90","","90","","2215.26","0.18","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H19 Cu N7 O5 -","- C21 H19 Cu N7 O5 -","- C84 H76 Cu4 N28 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0651","0.0586","","","0.2439","0.2499","","","","","","1.1","","","","has coordinates","179025","2020-10-21","18:00:00","" "4122343","12.5529","0.0005","9.9941","0.0004","17.6881","0.0008","90","","90","","90","","2219.06","0.16","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0531","0.0368","","","0.1036","0.1143","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00","" "4122344","12.6065","0.0008","10.137","0.001","17.5701","0.0012","90","","90","","90","","2245.3","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 Cu N6 O5 -","- C18 H14 Cu N6 O5 -","- C72 H56 Cu4 N24 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1106","0.0669","","","0.1926","0.234","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00","" "4122345","12.6285","0.0009","10.0104","0.0007","17.6492","0.001","90","","90","","90","","2231.1","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0871","0.0572","","","0.1304","0.1496","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00","" "4122346","12.3348","0.0009","9.936","0.0007","17.8259","0.0014","90","","90","","90","","2184.7","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18.75 H12 Cu N6 O5.5 -","- C18.75 H12 Cu N6 O5.5 -","- C75 H48 Cu4 N24 O22 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1224","0.0637","","","0.1773","0.2099","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00","" "4122347","12.6868","0.0009","9.9923","0.0006","17.6153","0.0007","90","","90","","90","","2233.1","0.2","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1071","0.0506","","","0.1414","0.168","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00","" "4129022","28.714","0.002","21.1265","0.0007","10.946","0.0003","90","","90","","90","","6640.1","0.5","293","","293.15","","","","","","","","","4","P n n a","-P 2a 2bc","52","","MUF-15","","- C32 H61 Co3 O24 -","- C20 H13 Co3 O12 -","- C160 H104 Co24 O96 -","8","1","","Qazvini, Omid T.; Babarao, Ravichandar; Shi, Zhao-Lin; Zhang, Yue-Biao; Telfer, Shane G.","A Robust Ethane-Trapping Metal-Organic Framework with a High Capacity for Ethylene Purification.","Journal of the American Chemical Society","2019","141","12","5014","5020","10.1021/jacs.9b00913","","","1.54178","CuKα","","0.1056","0.0878","","","0.2481","0.268","","","","","","1.16","","","","has coordinates,has disorder","222029","2020-10-21","18:00:00","" "4134229","34.4289","0.0007","27.4149","0.0006","23.4214","0.0004","90","","90","","90","","22106.6","0.8","150","2","150","2","","","","","","","","4","P n n a","-P 2a 2bc","52","JU907_150K","","","- C246 H215 Cl O7 -","- C246 H215 Cl O7 -","- C984 H860 Cl4 O28 -","4","0.5","","Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario","Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10203","","","0.71073","Mokα","","0.2303","0.1848","","","0.5029","0.5767","","","","","","1.363","","","","has coordinates,has disorder","248382","2020-10-21","18:00:00","" "4134454","8.612","0.003","14.566","0.006","15.189","0.005","90","","90","","90","","1905.3","1.2","103","2","103","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H11 F10 N2 O0.5 Pd -","- C18 H11 F10 N2 O0.5 Pd -","- C72 H44 F40 N8 O2 Pd4 -","4","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","","","0.71073","MoKα","","0.044","0.031","","","0.0734","0.0794","","","","","","1.074","","","","has coordinates,has disorder","250055","2020-10-21","18:00:00","" "4135047","26.1933","0.0004","14.6636","0.0002","20.6104","0.0003","90","","90","","90","","7916.2","0.2","249.99","0.1","249.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0666","0.0574","","","0.1842","0.1926","","","","","","1.119","","","","has coordinates,has disorder","252572","2020-10-21","18:00:00","" "4135052","26.0671","0.0003","14.5259","0.0002","20.4819","0.0003","90","","90","","90","","7755.43","0.18","200","0.1","200","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C68 H79 Br4 Co2 F12 N8 O6.5 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1021","0.0869","","","0.2723","0.2926","","","","","","1.116","","","","has coordinates,has disorder","252577","2020-10-21","18:00:00","" "4135053","26.2505","0.0005","14.6662","0.0004","20.6389","0.0005","90","","90","","90","","7945.9","0.3","299.98","0.1","299.98","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.0737","0.0621","","","0.1875","0.203","","","","","","1.056","","","","has coordinates,has disorder","252578","2020-10-21","18:00:00","" "4135055","26.024","0.0003","14.4389","0.0001","20.3551","0.0002","90","","90","","90","","7648.59","0.13","149.99","0.1","149.99","0.1","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C69 H82 Br4 Co2 F12 N8 O7 P2 -","- C63 H64 Br4 Co2 F11.988 N8 O4 P1.998 -","- C252 H256 Br16 Co8 F47.952 N32 O16 P7.992 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.1236","0.1097","","","0.3012","0.3139","","","","","","1.124","","","","has coordinates,has disorder","252580","2020-10-21","18:00:00","" "4135057","26.0119","0.0003","14.2861","0.0002","20.1208","0.0002","90","","90","","90","","7477.06","0.15","99.99","0.13","99.99","0.13","","","","","","","","8","P n n a","-P 2a 2bc","52","","(mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris(6-methyl-2-pyridylmethyl)amine)-di-cobalt bis(hexafluorophosphate) ethanol solvate","","- C67 H76 Br4 Co2 F12 N8 O6 P2 -","- C63 H64 Br4 Co2 F12 N8 O4 P2 -","- C252 H256 Br16 Co8 F48 N32 O16 P8 -","4","0.5","","Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette","Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01073","","x-ray","1.54184","CuKα","","0.081","0.0711","","","0.195","0.2029","","","","","","1.033","","","","has coordinates","252582","2020-10-21","18:00:00","" "4135086","22.3314","0.0008","13.9004","0.0005","7.2164","0.0003","90","","90","","90","","2240.08","0.15","200","","200","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","1","","Levesque, Alexandre; Maris, Thierry; Wuest, James D.","ROY Reclaims Its Crown: New Ways to Increase Polymorphic Diversity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04434","","x-ray","1.34139","GaKα","","0.0563","0.0555","","","0.1265","0.1276","","","","","","1.157","","","","has coordinates","301835","2025-08-20","18:54:32","" "4135632","10.9436","0.0011","8.6154","0.001","10.0156","0.0009","90","","90","","90","","944.31","0.17","120","3","120","3","","","","","","","","4","P n n a","-P 2a 2bc","52","","11","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C24 H12 Cu4 N16 -","4","0.5","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.1232","0.0836","","","0.2217","0.2574","","","","","","1.025","","","","has coordinates,has disorder","266969","2021-07-04","01:44:13","" "4135633","10.9748","0.0003","8.5812","0.0003","10.0596","0.0004","90","","90","","90","","947.38","0.06","120","3","120","3","","","","","","","","5","P n n a","-P 2a 2bc","52","","br-yx","","- C2.75 H0.5 Br0.5 Cu0.5 N2 -","- C2.75 H0.5 Br0.5 Cu0.5 N2 -","- C22 H4 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0226","0.0205","","","0.0538","0.0547","","","","","","1.079","","","","has coordinates","266969","2021-07-04","01:44:20","" "4135634","10.9745","0.0013","8.6056","0.0011","10.0876","0.0014","90","","90","","90","","952.7","0.2","120","","120","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Br-C2H6","","- C3 H1.5 Br0.5 Cu0.5 N2 -","- C3 H1.5 Br0.5 Cu0.5 N2 -","- C24 H12 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0687","0.0589","","","0.1377","0.144","","","","","","1.056","","","","has coordinates","266969","2021-07-04","01:44:20","" "4135635","11.0306","0.0013","8.6572","0.0014","10.0114","0.0019","90","","90","","90","","956","0.3","120","3","120","3","","","","","","","","4","P n n a","-P 2a 2bc","52","","Br","","- C2.5 Br0.5 Cu0.5 N2 -","- C2.5 Br0.5 Cu0.5 N2 -","- C20 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0371","0.0344","","","0.08","0.0817","","","","","","1.098","","","","has coordinates","266969","2021-07-04","01:44:20","" "4301619","7.5162","0.0001","27.7143","0.0004","13.7502","0.0002","90","","90","","90","","2864.25","0.07","180","2","180","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H36 N6 Ni O11 -","- C26 H36 N6 Ni O11 -","- C104 H144 N24 Ni4 O44 -","4","0.5","","Eugenio Coronado; Carlos Giménez-Saiz; Francisco M. Romero; Ana Tarazón","Metal Complexes of a Picolinate-Based Nitronyl Nitroxide Free Radical","Inorganic Chemistry","2009","48","","2205","2214","10.1021/ic802218j","","","0.71073","MoKα","","0.0753","0.0372","","","0.0829","0.0944","","","","","","1.002","","","","has coordinates","301836","2025-08-20","19:34:54","" "4301620","7.5667","0.0001","27.8458","0.0006","13.8927","0.0002","90","","90","","90","","2927.2","0.09","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H36 Co N6 O11 -","- C26 H36 Co N6 O11 -","- C104 H144 Co4 N24 O44 -","4","0.5","","Eugenio Coronado; Carlos Giménez-Saiz; Francisco M. Romero; Ana Tarazón","Metal Complexes of a Picolinate-Based Nitronyl Nitroxide Free Radical","Inorganic Chemistry","2009","48","","2205","2214","10.1021/ic802218j","","","0.71073","MoKα","","0.0686","0.0397","","","0.0838","0.0959","","","","","","1.059","","","","has coordinates","301836","2025-08-20","19:34:54","" "4301621","7.5397","0.0001","27.9622","0.0004","13.9281","0.0002","90","","90","","90","","2936.41","0.07","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H36 N6 O11 Zn -","- C26 H36 N6 O11 Zn -","- C104 H144 N24 O44 Zn4 -","4","0.5","","Eugenio Coronado; Carlos Giménez-Saiz; Francisco M. Romero; Ana Tarazón","Metal Complexes of a Picolinate-Based Nitronyl Nitroxide Free Radical","Inorganic Chemistry","2009","48","","2205","2214","10.1021/ic802218j","","","0.71073","MoKα","","0.089","0.0417","","","0.1087","0.1289","","","","","","0.957","","","","has coordinates","301836","2025-08-20","19:34:54","" "4301622","7.528","0.0001","28.011","0.0005","14.071","0.0002","90","","90","","90","","2967.11","0.08","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H36 Mn N6 O11 -","- C26 H36 Mn N6 O11 -","- C104 H144 Mn4 N24 O44 -","4","0.5","","Eugenio Coronado; Carlos Giménez-Saiz; Francisco M. Romero; Ana Tarazón","Metal Complexes of a Picolinate-Based Nitronyl Nitroxide Free Radical","Inorganic Chemistry","2009","48","","2205","2214","10.1021/ic802218j","","","0.71073","MoKα","","0.0856","0.043","","","0.109","0.1261","","","","","","1.03","","","","has coordinates","301836","2025-08-20","19:34:54","" "4303676","8.2092","0.0012","14.487","0.002","13.848","0.002","90","","90","","90","","1646.9","0.4","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 Gd N2 O11 -","- C14 H6 Ag3 Gd N2 O11 -","- C56 H24 Ag12 Gd4 N8 O44 -","4","0.5","","Xiao-Qing Zhao; Bin Zhao; Shi Wei; Peng Cheng","Synthesis, Structures, and Luminescent and Magnetic Properties of Ln-Ag Heterometal-Organic Frameworks","Inorganic Chemistry","2009","48","","11048","11057","10.1021/ic901291b","","","0.71073","MoKα","","0.0379","0.0251","","","0.0545","0.0581","","","","","","1.031","","","","has coordinates","179074","2020-10-21","18:00:00","" "4303677","8.2405","0.0011","14.5013","0.0019","13.8205","0.0017","90","","90","","90","","1651.5","0.4","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 N2 O11 Tb -","- C14 H6 Ag3 N2 O11 Tb -","- C56 H24 Ag12 N8 O44 Tb4 -","4","0.5","","Xiao-Qing Zhao; Bin Zhao; Shi Wei; Peng Cheng","Synthesis, Structures, and Luminescent and Magnetic Properties of Ln-Ag Heterometal-Organic Frameworks","Inorganic Chemistry","2009","48","","11048","11057","10.1021/ic901291b","","","0.71073","MoKα","","0.0352","0.0306","","","0.0734","0.0757","","","","","","1.091","","","","has coordinates","179074","2020-10-21","18:00:00","" "4303678","8.2603","0.0012","14.53","0.002","13.796","0.002","90","","90","","90","","1655.8","0.4","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 Dy N2 O11 -","- C14 H6 Ag3 Dy N2 O11 -","- C56 H24 Ag12 Dy4 N8 O44 -","4","0.5","","Xiao-Qing Zhao; Bin Zhao; Shi Wei; Peng Cheng","Synthesis, Structures, and Luminescent and Magnetic Properties of Ln-Ag Heterometal-Organic Frameworks","Inorganic Chemistry","2009","48","","11048","11057","10.1021/ic901291b","","","0.71073","MoKα","","0.0348","0.0257","","","0.0574","0.0604","","","","","","1.067","","","","has coordinates","179074","2020-10-21","18:00:00","" "4303679","8.287","0.0015","14.539","0.003","13.68","0.003","90","","90","","90","","1648.2","0.6","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 N2 O11 Tm -","- C14 H6 Ag3 N2 O11 Tm -","- C56 H24 Ag12 N8 O44 Tm4 -","4","0.5","","Xiao-Qing Zhao; Bin Zhao; Shi Wei; Peng Cheng","Synthesis, Structures, and Luminescent and Magnetic Properties of Ln-Ag Heterometal-Organic Frameworks","Inorganic Chemistry","2009","48","","11048","11057","10.1021/ic901291b","","","0.71073","MoKα","","0.0502","0.0464","","","0.1177","0.1205","","","","","","1.093","","","","has coordinates","179074","2020-10-21","18:00:00","" "4303680","8.296","0.003","14.545","0.005","13.647","0.005","90","","90","","90","","1646.7","1","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 N2 O11 Yb -","- C14 H6 Ag3 N2 O11 Yb -","- C56 H24 Ag12 N8 O44 Yb4 -","4","0.5","","Xiao-Qing Zhao; Bin Zhao; Shi Wei; Peng Cheng","Synthesis, Structures, and Luminescent and Magnetic Properties of Ln-Ag Heterometal-Organic Frameworks","Inorganic Chemistry","2009","48","","11048","11057","10.1021/ic901291b","","","0.71073","MoKα","","0.0403","0.0319","","","0.075","0.0791","","","","","","1.086","","","","has coordinates","179074","2020-10-21","18:00:00","" "4304446","15.908","0.003","6.908","0.0014","6.731","0.0013","90","","90","","90","","739.7","0.2","293","2","","","","","","","","","","3","P n n a","-P 2a 2bc","52","Strontium Barium Bismuthide","","","- Ba1.28 Bi3 Sr0.72 -","- Ba1.28 Bi3 Sr0.72 -","- Ba5.12 Bi12 Sr2.88 -","4","0.5","","Sung-Jin Kim; Simeon Ponou; Thomas F. Fässler","Cation Substitution Effects in the System Sr2-xBaxBi3 (0 <= x <= 1.3): Structural Distortions Induced by Chemical Pressure","Inorganic Chemistry","2008","47","","3594","3602","10.1021/ic7019439","","","","","","0.0662","0.0637","","","0.1601","0.1617","","","","","","1.286","","","","has coordinates","179082","2020-10-21","18:00:00","" "4304447","15.887","0.003","6.893","0.0014","6.717","0.0013","90","","90","","90","","735.6","0.2","293","2","","","","","","","","","","3","P n n a","-P 2a 2bc","52","Strontium Barium Bismuthide","","","- Ba1.08 Bi3 Sr0.92 -","- Ba1.08 Bi3 Sr0.92 -","- Ba4.32 Bi12 Sr3.68 -","4","0.5","","Sung-Jin Kim; Simeon Ponou; Thomas F. Fässler","Cation Substitution Effects in the System Sr2-xBaxBi3 (0 <= x <= 1.3): Structural Distortions Induced by Chemical Pressure","Inorganic Chemistry","2008","47","","3594","3602","10.1021/ic7019439","","","","","","0.0633","0.0595","","","0.1602","0.1626","","","","","","1.311","","","","has coordinates","179082","2020-10-21","18:00:00","" "4304448","15.881","0.003","6.8883","0.0014","6.704","0.0013","90","","90","","90","","733.4","0.2","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","Strontium Barium Bismuthide","","","- Ba0.86 Bi3 Sr1.14 -","- Ba0.86 Bi3 Sr1.14 -","- Ba3.44 Bi12 Sr4.56 -","4","0.5","","Sung-Jin Kim; Simeon Ponou; Thomas F. Fässler","Cation Substitution Effects in the System Sr2-xBaxBi3 (0 <= x <= 1.3): Structural Distortions Induced by Chemical Pressure","Inorganic Chemistry","2008","47","","3594","3602","10.1021/ic7019439","","","0.71073","MoKα","","0.0413","0.0317","","","0.0799","0.0815","","","","","","0.931","","","","has coordinates","179082","2020-10-21","18:00:00","" "4304449","15.745","0.003","6.8294","0.0014","6.6469","0.0013","90","","90","","90","","714.7","0.2","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","Strontium Barium Bismuthide","","","- Ba0.45 Bi3 Sr1.55 -","- Ba0.451 Bi3 Sr1.549 -","- Ba1.804 Bi12 Sr6.196 -","4","0.5","","Sung-Jin Kim; Simeon Ponou; Thomas F. Fässler","Cation Substitution Effects in the System Sr2-xBaxBi3 (0 <= x <= 1.3): Structural Distortions Induced by Chemical Pressure","Inorganic Chemistry","2008","47","","3594","3602","10.1021/ic7019439","","","0.71073","MoKα","","0.0391","0.0343","","","0.0763","0.0782","","","","","","1.224","","","","has coordinates","179082","2020-10-21","18:00:00","" "4305392","18.9022","0.0003","14.4179","0.0002","37.8184","0.0005","90","","90","","90","","10306.6","0.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","8","P n n a","-P 2a 2bc","52","","","","- C96 H96 F12 N12 O16 P2 Rh4 Ru -","- C96 H96 F12 N12 O16 P2 Rh4 Ru -","- C384 H384 F48 N48 O64 P8 Rh16 Ru4 -","4","0.5","","Michael W. Cooke; Marie-Pierre Santoni; Garry S. Hanan; Frédérique Loiseau; Anna Proust; Bernold Hasenknopf","Spanning Pairs of Rh2(acetate)4 Units with Ru(II) Complexes","Inorganic Chemistry","2008","47","","6112","6114","10.1021/ic8003678","","","1.54178","CuKα","","0.0962","0.0747","","","0.221","0.2394","","","","","","1.104","","","","has coordinates","179091","2020-10-21","18:00:00","" "4305566","8.0523","0.0001","28.38","0.0004","16.1372","0.0002","90","","90","","90","","3687.74","0.08","298","","298","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C29 H48 Cu2 N8 O10 -","- C29 H44 Cu2 N8 O10 -","- C116 H176 Cu8 N32 O40 -","4","0.5","","Enrico Arturoni; Carla Bazzicalupi; Andrea Bencini; Claudia Caltagirone; Andrea Danesi; Alessandra Garau; Claudia Giorgi; Vito Lippolis; Barbara Valtancoli","New Bis-Cresol-Bridged bis(1,4,7-Triazacyclononane) Ligand As Receptor for Metal Cations and Phosphate Anions","Inorganic Chemistry","2008","47","","6551","6563","10.1021/ic800549e","","","1.5418","CuKα","","0.0848","0.0677","","","0.2081","0.2358","","","","","","1.363","","","","has coordinates","179093","2020-10-21","18:00:00","" "4306399","10.6226","0.001","25.105","0.002","17.2567","0.0017","90","","90","","90","","4602","0.7","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C46 H70 Cr N9 O4 -","- C46 H70 Cr N9 O4 -","- C184 H280 Cr4 N36 O16 -","4","0.5","","Donald J. Darensbourg; Adriana I. Moncada","Mechanistic Insight into the Initiation Step of the Coupling Reaction of Oxetane or Epoxides and CO2 Catalyzed by (salen)CrX Complexes","Inorganic Chemistry","2008","47","","10000","10008","10.1021/ic801231p","","","0.71073","MoKα","","0.2139","0.0822","","","0.2018","0.2536","","","","","","1","","","","has coordinates","301836","2025-08-20","19:34:58","" "4307015","15.695","0.006","22.081","0.008","8.969","0.003","90","","90","","90","","3108.3","1.9","150.2","","","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C29 H26 Co F6 N2 O6 S2 -","- C29 H26 Co F6 N2 O6 S2 -","- C116 H104 Co4 F24 N8 O24 S8 -","4","0.5","","Jing Han; Masahiko Maekawa; Yusaku Suenaga; Hideaki Ebisu; Atsuhiro Nabei; Takayoshi Kuroda-Sowa; Megumu Munakata","Photochromism of Novel Metal Coordination Polymers with 1,2-Bis(2'-methyl-5'-(carboxylic acid)-3'-thienyl)perfluorocyclopentene in the Crystalline Phase","Inorganic Chemistry","2007","46","","3313","3321","10.1021/ic0615168","","","0.7107","MoKα","","","0.0538","","","","0.098","","","","","","1.303","","","","has coordinates","176432","2020-10-21","18:00:00","" "4307654","20.9596","0.0004","18.275","0.0004","7.5787","0.0002","90","","90","","90","","2902.92","0.11","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H8 Cl2 N2 O2 P2 -","- C12 H8 Cl2 N2 O2 P2 -","- C96 H64 Cl16 N16 O16 P16 -","8","1","","Eric W. Ainscough; Andrew M. Brodie; Adrian B. Chaplin; Andreas Derwahl; John A. Harrison; Carl A. Otter","Conformational Flexibility in 2,2'-Dioxybiphenyl-chloro-cyclotetraphosphazenes and its Relevance to Polyphosphazene Analogues","Inorganic Chemistry","2007","46","","2575","2583","10.1021/ic062141t","","","0.71073","MoKα","","0.0546","0.0485","","","0.1262","0.1303","","","","","","1.108","","","","has coordinates,has disorder","179114","2020-10-21","18:00:00","" "4308818","17.1711","0.0015","22.9918","0.0018","22.75","0.002","90","","90","","90","","8981.6","1.3","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapropylammonium nickel (II) dicyanamide","Tetrapropylammonium nickel (II) dicyanamide","","- C18 H28 N10 Ni -","- C18 H28 N10 Ni -","- C288 H448 N160 Ni16 -","16","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0782","0.0582","","","0.1357","0.1512","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4308820","17.116","0.002","22.8","0.003","22.641","0.003","90","","90","","90","","8835.5","1.9","110","2","110","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapropylammonium nickel (II) dicyanamide","Tetrapropylammonium nickel (II) dicyanamide","","- C18 H28 N10 Ni -","- C18 H28 N10 Ni -","- C288 H448 N160 Ni16 -","16","2","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.0584","0.0382","","","0.0851","0.0931","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4308823","13.2236","0.0006","11.63","0.0006","20.3176","0.0009","90","","90","","90","","3124.7","0.3","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium manganese(II) dicyanamide","Tetrapentylammonium manganese(II) dicyanamide","","- C26 H44 Mn N10 -","- C26 H44 Mn N10 -","- C104 H176 Mn4 N40 -","4","0.5","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.1063","0.0609","","","0.1604","0.1929","","","","","","1.03","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00","" "4308824","12.938","0.0004","11.6233","0.0004","19.8038","0.0007","90","","90","","90","","2978.14","0.17","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium nickel(II) dicyanamide","Tetrapentylammonium nickel(II) dicyanamide","","- C26 H44 N10 Ni -","- C26 H44 N9.998 Ni -","- C104 H176 N39.992 Ni4 -","4","0.5","","John A. Schlueter; Jamie L. Manson; Urs Geiser","Structural and Magnetic Diversity in Tetraalkylammonium Salts of Anionic M[N(CN)2]3- (M= Mn and Ni) Three-Dimensional Coordination Polymers","Inorganic Chemistry","2005","44","","3194","3202","10.1021/ic0484598","","","0.71073","MoKα","","0.065","0.0452","","","0.1165","0.1304","","","","","","1.045","","","","has coordinates,has disorder","179126","2020-10-21","18:00:00","" "4308963","15.1527","0.0003","17.072","0.0003","24.7324","0.0005","90","","90","","90","","6397.9","0.2","153","2","153","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C50 H64 Cl2 Cu2 N10 O13 -","- C48 H54 Cu2 N10 O11 -","- C192 H216 Cu8 N40 O44 -","4","0.5","","Jonathan L. Sessler; Elisa Tomat; Tarak D. Mody; Vincent M. Lynch; Jacqueline M. Veauthier; Utkir Mirsaidov; John T. Markert","A Schiff Base Expanded Porphyrin Macrocycle that Acts as a Versatile Binucleating Ligand for Late First-Row Transition Metals","Inorganic Chemistry","2005","44","","2125","2127","10.1021/ic048412m","","","0.71073","MoKα","","0.1348","0.0798","","","0.1464","0.1509","","","","","","2.203","","","","has coordinates","179127","2020-10-21","18:00:00","" "4310543","22.21","0.005","12.899","0.003","20.232","0.004","90","","90","","90","","5796","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H21 Co N10 O2.5 S4 -","- C26 H16 Co N10 O2.54 S4 -","- C104 H64 Co4 N40 O10.16 S16 -","4","0.5","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.1184","0.0639","","","0.1747","0.2145","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4310828","19.359","0.004","19.501","0.004","14.1785","0.0018","90","","90","","90","","5352.7","1.7","140","2","140","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C55 H48 B Cl4 F4 N3 P4 -","- C55 H48 B Cl4 F4 N3 P4 -","- C220 H192 B4 Cl16 F16 N12 P16 -","4","0.5","","Zhaofu Fei; Nermin Biricik; Dongbin Zhao; Rosario Scopelliti; Paul J. Dyson","Transformation between Diphosphinoamines and Iminobiphosphines: a Reversible PNP \λeftarrow→NP-P Rearrangement Triggered by Protonation/Deprotonation","Inorganic Chemistry","2004","43","","2228","2230","10.1021/ic049850w","","","0.7107","MoKα","","0.0738","0.056","","","0.1604","0.1772","","","","","","1.176","","","","has coordinates","179147","2020-10-21","18:00:00","" "4311391","11.394","0.001","15.5392","0.0011","15.9601","0.0012","90","","90","","90","","2825.8","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Gd N13 O -","- C26 H16 Gd N13 O -","- C104 H64 Gd4 N52 O4 -","4","0.5","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0384","0.0342","","","0.0713","0.0737","","","","","","1.037","","","","has coordinates","179152","2020-10-21","18:00:00","" "4311392","11.378","0.002","15.625","0.003","16.048","0.003","90","","90","","90","","2853","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 N13 O Sm -","- C26 H16 N13 O Sm -","- C104 H64 N52 O4 Sm4 -","4","0.5","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0517","0.0429","","","0.1097","0.1218","","","","","","1.067","","","","has coordinates","179152","2020-10-21","18:00:00","" "4311393","11.2806","0.0006","15.8467","0.0009","16.1837","0.001","90","","90","","90","","2893","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 La N13 O -","- C26 H16 La N13 O -","- C104 H64 La4 N52 O4 -","4","0.5","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0574","0.0545","","","0.1899","0.1935","","","","","","1.083","","","","has coordinates","179152","2020-10-21","18:00:00","" "4311695","23.79","0.01","15.887","0.007","17.773","0.008","90","","90","","90","","6717","5","293.2","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H44 N4 O14 Zn2 -","- C40 H44 N4 O14 Zn2 -","- C160 H176 N16 O56 Zn8 -","4","0.5","","Mitsuru Kondo; Yasuhiko Irie; Yusuke Shimizu; Makoto Miyazawa; Hiroyuki Kawaguchi; Akira Nakamura; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida","Dynamic Coordination Polymers with 4,4'-Oxybis(benzoate): Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents","Inorganic Chemistry","2004","43","","6139","6141","10.1021/ic0496166","","","0.7107","MoKα","","","0.0596","","","","0.0633","","","","","","1.187","","","","has coordinates","176467","2020-10-21","18:00:00","" "4312549","17.133","","22.051","","14.681","","90","","90","","90","","5546.48","","173","2","173","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C49 H34 B2 Cl2 F8 O8 P4 Pd -","- C49 H34 B2 Cl2 F8 O8 P4 Pd -","- C196 H136 B8 Cl8 F32 O32 P16 Pd4 -","4","0.5","","Xavier Morise; Pierre Braunstein; Richard Welter","Enolphosphato-Phosphines: A New Class of P,O Ligands","Inorganic Chemistry","2003","42","","7752","7765","10.1021/ic030032y","","","1.54184","CuKα","","0.0764","0.0582","","","0.1615","0.1845","","","","","","0.921","","","","has coordinates","179164","2020-10-21","18:00:00","" "4314781","15.987","0.002","12.056","0.003","15.383","0.003","90","","90","","90","","2964.9","1","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C10 H9 O12.5 Zn2.5 -","- C10 H2 O12.5 Zn2.5 -","- C80 H16 O100 Zn20 -","8","1","","Lai-Ping Zhang; Jian-Fang Ma; Jin Yang; Yuan-Yuan Pang; Ji-Cheng Ma","Series of 2D and 3D Coordination Polymers Based on 1,2,3,4-Benzenetetracarboxylate and N-Donor Ligands: Synthesis, Topological Structures, and Photoluminescent Properties","Inorganic Chemistry","2010","49","","1535","1550","10.1021/ic9019553","","","0.71069","MoKα","","0.1006","0.0683","","","0.1794","0.1963","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00","" "4318890","8.147","0.001","25.57","0.01","14.77","0.004","90","","90","","90","","3076.9","1.5","296.2","","","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C27 H30 Cl2 N6 O8 Pd -","- C27 H30 Cl2 N6 O8 Pd -","- C108 H120 Cl8 N24 O32 Pd4 -","4","0.5","","Maxim Sokolov; Keisuke Umakoshi; Yoichi Sasaki","N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine and Its Analogues as Hypodentate Ligands. Synthesis and Characterization of the Rhodium(III), Ruthenium(II), and Palladium(II) Complexes","Inorganic Chemistry","2002","41","","6237","6243","10.1021/ic0203264","","","0.7107","MoKα","","","0.0491","","","","0.0491","","","","","","2.483","","","","has coordinates","301837","2025-08-20","21:36:58","" "4321370","12.2705","0.0003","21.15","0.001","10.04","0.001","90","","90","","90","","2605.6","0.3","295.2","","","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C8 H6 Ag F4 N4 O P -","- C8 H6 Ag F4 N4 O P -","- C64 H48 Ag8 F32 N32 O8 P8 -","8","1","","Ichiro Ino; Jian Chu Zhong; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Yoshinobu Kitamori","2-D Interwoven and 3-D 5-fold Interpenetrating Silver(I) Complexes of 1-(Isocyanidomethyl)-1H-benzotriazole and 1,3-Bis(dicyanomethylidene)indan","Inorganic Chemistry","2000","39","","4273","4279","10.1021/ic000459u","","","0.7107","MoKα","","","0.0595","","","","0.1769","","","","","","1.672","","","","has coordinates","176467","2020-10-21","18:00:00","" "4323349","5.9552","0.0006","10.2753","0.0008","9.5595","0.0009","90","","90","","90","","584.96","0.09","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","Strontium gallium nitride","","- Ga2 N4 Sr3 -","- Ga2 N4 Sr3 -","- Ga8 N16 Sr12 -","4","0.5","","S. J. Clarke; F. J. DiSalvo","Synthesis and Structure of One-, Two-, and Three-Dimensional Alkaline Earth Metal Gallium Nitrides: Sr3Ga2N4, Ca3Ga2N4, and Sr3Ga3N5","Inorganic Chemistry","1997","36","","1143","1148","10.1021/ic9612562","","","0.71073","MoKα","","0.0339","0.0264","","0.0591","0.0561","","","","1.09","1.109","1.109","","","","","has coordinates","179336","2020-10-21","18:00:00","" "4324850","12.3848","0.0007","30.7971","0.0018","18.5819","0.0011","90","","90","","90","","7087.4","0.7","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C64 H98 O4 P2 Ti -","- C64 H98 O4 P2 Ti -","- C256 H392 O16 P8 Ti4 -","4","0.5","","Lan-Chang Liang; Yu-Lin Hsu; Sheng-Ta Lin","Group 4 Complexes of a tert-Butylphosphine-Bridged Biphenolate Ligand","Inorganic Chemistry","2011","50","","3363","3372","10.1021/ic102194z","","","0.71073","MoKα","","0.1363","0.079","","","0.2176","0.2405","","","","","","1.062","","","","has coordinates,has disorder","301838","2025-08-20","22:17:41","" "4325120","16.7762","0.0012","15.2054","0.001","15.8446","0.0011","90","","90","","90","","4041.8","0.5","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Lithium Manganese(III) tetrakis(bistert-butyl ketimide)","","- C36 H72 Li Mn N4 -","- C36 H72 Li Mn N4 -","- C144 H288 Li4 Mn4 N16 -","4","0.5","","Richard A. Lewis; Guang Wu; Trevor W. Hayton","Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4","Inorganic Chemistry","2011","50","","4660","4668","10.1021/ic200490v","","","0.71073","MoKα","","0.1033","0.0641","","","0.1655","0.1999","","","","","","1.028","","","","has coordinates","301838","2025-08-20","22:17:41","" "4329574","18.463","0.001","9.142","0.0005","35.166","0.002","90","","90","","90","","5935.6","0.6","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C50.5 H33 Cl5 N6 Zn2 -","- C50.5 H33 Cl5 N6 Zn2 -","- C202 H132 Cl20 N24 Zn8 -","4","0.5","","Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song","Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes","Inorganic Chemistry","2012","51","","7039","7049","10.1021/ic201757r","","","0.71073","MoKα","","0.1431","0.0673","","","0.1528","0.1767","","","","","","0.947","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4329575","18.5166","0.0005","9.1434","0.0002","35.0635","0.001","90","","90","","90","","5936.4","0.3","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C50 H32 Cl4 N6 Zn2 -","- C50 H32 Cl4 N6 Zn2 -","- C200 H128 Cl16 N24 Zn8 -","4","0.5","","Runyu Tan; Zhi-Bin Wang; Yu Li; Daniel J. Kozera; Zheng-Hong Lu; Datong Song","Syntheses, Structures, and Luminescent Properties of Dipyridylamine-Functionalized Anthracene and Its Complexes","Inorganic Chemistry","2012","51","","7039","7049","10.1021/ic201757r","","","0.71073","MoKα","","0.1012","0.0496","","","0.1149","0.1302","","","","","","0.941","","","","has coordinates","179398","2020-10-21","18:00:00","" "4329787","18.183","0.0004","22.6303","0.0005","20.1687","0.0004","90","","90","","90","","8299.2","0.3","296","","296","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C94 H74 Ag2 Cl2 N14 Pt2 -","- C94 H74 Ag2 Cl2 N14 Pt2 -","- C376 H296 Ag8 Cl8 N56 Pt8 -","4","0.5","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.0416","","","","0.086","","","","","","1.218","","","","has coordinates","179400","2020-10-21","18:00:00","" "4329788","18.3146","0.0005","22.6251","0.0005","19.7815","0.0005","90","","90","","90","","8196.9","0.4","296","","296","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C94 H74 Cl2 Cu2 N14 Pt2 -","- C94 H74 Cl2 Cu2 N14 Pt2 -","- C376 H296 Cl8 Cu8 N56 Pt8 -","4","0.5","","Seiji Akatsu; Yasunori Kanematsu; Taka-aki Kurihara; Shota Sueyoshi; Yasuhiro Arikawa; Masayoshi Onishi; Shoji Ishizaka; Noboru Kitamura; Yoshihide Nakao; Shigeyoshi Sakaki; Keisuke Umakoshi","Syntheses and Luminescent Properties of 3,5-Diphenylpyrazolato-Bridged Heteropolynuclear Platinum Complexes. The Influence of Chloride Ligands on the Emission Energy Revealed by the Systematic Replacement of Chloride Ligands by 3,5-Dimethylpyrazolate","Inorganic Chemistry","2012","51","","7977","7992","10.1021/ic202663q","","","0.7107","MoKα","","","0.0448","","","","0.0907","","","","","","1.214","","","","has coordinates","179400","2020-10-21","18:00:00","" "4330364","6.78052","0.00022","15.64636","0.00046","10.03918","0.00031","90","","90","","90","","1065.06","0.06","298","","298","","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-(4,4'-bipyrazolyl)-ag(i) methanesulfonate","","- C7 H9 Ag N4 O3 S -","- C7 H9 Ag N4 O3 S -","- C28 H36 Ag4 N16 O12 S4 -","4","0.5","","Aurel Tăbăcaru; Claudio Pettinari; Fabio Marchetti; Corrado di Nicola; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi; Stefania Scuri; Iolanda Grappasonni; Mario Cocchioni","Antibacterial Action of 4,4'-Bipyrazolyl-Based Silver(I) Coordination Polymers Embedded in PE Disks","Inorganic Chemistry","2012","51","","9775","9788","10.1021/ic3011635","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4333400","13.0529","0.0015","18.3403","0.0017","10.3838","0.0012","90","","90","","90","","2485.8","0.5","295","","295","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- B16 Cs8 H24 O112 P24 Sc8 -","- B2 Cs H3 O14 P3 Sc -","- B16 Cs8 H24 O112 P24 Sc8 -","8","1","","Menezes, Prashanth W.; Hoffmann, Stefan; Prots, Yurii; Kniep, Rüdiger","CsSc[B2P3O11(OH)3]: A New Borophosphate Oligomer Containing Boron in Three- and Fourfold Coordination†","Inorganic Chemistry","2007","46","18","7503","7508","10.1021/ic700914v","","","0.71073","MoKα","","","0.0444","","","","0.1211","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00","" "4333764","13.1256","0.001","11.3614","0.0009","19.5259","0.0014","90","","90","","90","","2911.8","0.4","200","2","200","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H40 Fe N4 O2 Si2 -","- C24 H40 Fe N4 O2 Si2 -","- C96 H160 Fe4 N16 O8 Si8 -","4","0.5","","Chih-Chin Tsou; Fu-Te Tsai; Huang-Yeh Chen; I-Jui Hsu; Wen-Feng Liaw","Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif","Inorganic Chemistry","2013","52","","1631","1639","10.1021/ic302537d","","","0.71073","MoKα","","0.0603","0.0435","","","0.1146","0.1268","","","","","","1.023","","","","has coordinates","301839","2025-08-20","22:57:37","" "4335324","16.6451","0.0002","18.8376","0.0003","17.5683","0.0003","90","","90","","90","","5508.61","0.14","150","2","150","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C50 H54 F6 Fe N10 O10 S2 -","- C50 H54 F6 Fe N10 O10 S2 -","- C200 H216 F24 Fe4 N40 O40 S8 -","4","0.5","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.0833","0.0597","","","0.1721","0.1897","","","","","","1.057","","","","has coordinates,has disorder","301839","2025-08-20","22:57:38","" "4335930","37.614","0.0015","27.286","0.0011","18.2151","0.0007","90","","90","","90","","18694.8","1.3","123","","123","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C143 H182 B4 N4 Nd4 O33 -","- C143 H158 B4 N4 Nd4 O33 -","- C572 H632 B16 N16 Nd16 O132 -","4","0.5","","Yan Liu; Ke Mo; Yong Cui","Porous and Robust Lanthanide Metal-Organoboron Frameworks as Water Tolerant Lewis Acid Catalysts","Inorganic Chemistry","2013","52","","10286","10291","10.1021/ic400598x","","","1.54178","CuKα","","0.1147","0.0832","","","0.1812","0.1949","","","","","","1.012","","","","has coordinates","179462","2020-10-21","18:00:00","" "4335931","37.927","0.003","27.1472","0.0019","18.4835","0.0012","90","","90","","90","","19031","2","123","","123","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C149 H196 B4 La4 N6 O35 -","- C149 H184 B4 La4 N6 O35 -","- C596 H736 B16 La16 N24 O140 -","4","0.5","","Yan Liu; Ke Mo; Yong Cui","Porous and Robust Lanthanide Metal-Organoboron Frameworks as Water Tolerant Lewis Acid Catalysts","Inorganic Chemistry","2013","52","","10286","10291","10.1021/ic400598x","","","0.71073","MoKα","","0.1201","0.0609","","","0.1566","0.1973","","","","","","1.015","","","","has coordinates","179462","2020-10-21","18:00:00","" "4336215","9.8131","0.0006","10.6877","0.0006","23.9902","0.0014","90","","90","","90","","2516.1","0.3","143","2","143","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H32 Cl2 N3 Ta -","- C26 H32 Cl2 N3 Ta -","- C104 H128 Cl8 N12 Ta4 -","4","0.5","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0217","0.0205","","","0.0522","0.0529","","","","","","1.123","","","","has coordinates","179465","2020-10-21","18:00:00","" "4338067","25.6632","0.0005","15.0315","0.0003","17.7572","0.0003","90","","90","","90","","6850","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H21 Cd Cl2 N7 -","- C27 H21 Cd Cl2 N7 -","- C216 H168 Cd8 Cl16 N56 -","8","1","","Fu, Hong-Ru; Kang, Yao; Zhang, Jian","Highly Selective Sorption of Small Hydrocarbons and Photocatalytic Properties of Three Metal-Organic Frameworks Based on Tris(4-(1H-imidazol-1-yl)phenyl)amine Ligand.","Inorganic chemistry","2014","53","8","4209","4214","10.1021/ic5003226","","","1.54178","CuKα","","0.0588","0.0543","","","0.1489","0.1523","","","","","","1.08","","","","has coordinates","179483","2020-10-21","18:00:00","" "4338260","16.9134","0.0007","40.299","0.004","35.5326","0.0013","90","","90","","90","","24219","3","155","2","155","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C55 H40 Fe N6 Se2 -","- C55 H40 Fe N6 Se2 -","- C440 H320 Fe8 N48 Se16 -","8","1","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.1823","0.0928","","","0.2028","0.2294","","","","","","0.98","","","","has coordinates","179485","2020-10-21","18:00:00","" "4338263","16.9434","0.0006","40.319","0.005","35.6426","0.0011","90","","90","","90","","24349","3","175","2","175","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C55 H46 B2 Fe N6 -","- C55 H46 B2 Fe N6 -","- C440 H368 B16 Fe8 N48 -","8","1","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.1853","0.0946","","","0.2042","0.2334","","","","","","0.996","","","","has coordinates","179485","2020-10-21","18:00:00","" "4338372","24.1618","0.0003","24.3348","0.0003","14.65391","0.00018","90","","90","","90","","8616.1","0.18","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C106 H116 Ga2 N4 O2 -","- C106 H116 Ga2 N4 O2 -","- C424 H464 Ga8 N16 O8 -","4","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.0737","0.0418","","","0.0825","0.0898","","","","","","1.012","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00","" "4338821","13.213","0.003","11.612","0.002","13.676","0.003","90","","90","","90","","2098.3","0.8","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C11 H28 N2 Ni2 O16 -","- C11 H28 N2 Ni2 O16 -","- C44 H112 N8 Ni8 O64 -","4","0.5","","Meier, Roland; Platas-Iglesias, Carlos; Heinemann, Frank W.; Linti, Gerald; Schulte, Jürgen; Srivastava, Sunil K.","Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-).","Inorganic chemistry","2014","53","13","6684","6697","10.1021/ic5004325","","x-ray","0.71073","MoKα","","0.0408","0.0367","","","0.1062","0.109","","","","","","1.058","","","","has coordinates","301839","2025-08-20","22:57:42","" "4339159","25.929","0.005","14.953","0.003","11.856","0.002","90","","90","","90","","4596.8","1.5","301","2","301","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C50 H38 N6 O6 Os P2 Zn -","- C50 H38 N6 O6 Os P2 Zn -","- C200 H152 N24 O24 Os4 P8 Zn4 -","4","0.5","","Lai, Siu-Wai; Chan, Queenie K.-W.; Zhu, Nianyong; Che, Chi-Ming","cis-Dicyanoosmium(II) diimine complexes bearing phosphine or sulfoxide ligands: spectroscopic and luminescent studies.","Inorganic chemistry","2007","46","26","11003","11016","10.1021/ic070290l","","","0.71069","MoKα","","0.0523","0.0342","","","0.1049","0.1176","","","","","","1.059","","","","has coordinates","179494","2020-10-21","18:00:00","" "4339204","15.25","0.003","12.032","0.002","13.582","0.003","90","","90","","90","","2492.1","0.8","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H18 Cu Ge N4 O10 -","- C28 H18 Cu Ge N4 O10 -","- C112 H72 Cu4 Ge4 N16 O40 -","4","0.5","","Shi, Fa-Nian; Cunha-Silva, Luís; Hardie, Michaele J.; Trindade, Tito; Paz, Filipe A Almeida; Rocha, João","Heterodimetallic germanium(IV) complex structures with transition metals.","Inorganic chemistry","2007","46","16","6502","6515","10.1021/ic700507j","","","0.71073","MoKα","","0.1387","0.105","","","0.2622","0.2798","","","","","","1.117","","","","has coordinates","301839","2025-08-20","22:57:43","" "4340690","11.1919","0.0007","19.6774","0.0012","20.8361","0.0013","90","","90","","90","","4588.7","0.5","100","","100","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H52 Ga6 N8 O Se9 -","- C24.0006 H52.0002 Ga6 N8 O Se9 -","- C96.0024 H208.001 Ga24 N32 O4 Se36 -","4","0.5","","Ewing, Sarah J.; Vaqueiro, Paz","Synthesis and characterization of inorganic-organic hybrid gallium selenides.","Inorganic chemistry","2014","53","17","8845","8847","10.1021/ic5011314","","","0.71073","MoKα","","0.0828","0.0412","","0.0861","0.0407","0.0385","","","","","","1.1044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4341978","24.2784","0.0009","13.3684","0.0004","15.9103","0.0006","90","","90","","90","","5163.9","0.3","128.2","0.14","128.2","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C39 H32 Co6 N5 O31 -","- C39 H32 Co6 N5 O31 -","- C156 H128 Co24 N20 O124 -","4","0.5","","Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng","Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.","Inorganic chemistry","2015","54","2","586","595","10.1021/ic502488c","","","0.71073","MoKα","","0.0606","0.0573","","","0.1426","0.1448","","","","","","1.147","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00","" "4344253","6.597","","14.792","","10.589","","90","","90","","90","","1033.31","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","K3 Ga3 As4","","- As4 Ga3 K3 -","- As4 Ga3 K3 -","- As16 Ga12 K12 -","4","0.5","","Birdwhistell, T.L.T.; Stevens, E.D.; O'Connor, C.J.","Synthesis and crystal structure of a novel layered Zintl phase: K3 Ga3 As4","Inorganic Chemistry","1990","29","","3892","3894","","","","","","","","","","","","","","","","","","","","","","has coordinates","162569","2020-10-21","18:00:00","" "4346715","16.4644","0.0007","15.4726","0.0008","15.2508","0.0009","90","","90","","90","","3885.1","0.3","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 N4 V -","- C36 H72 N4 V -","- C144 H288 N16 V4 -","4","0.5","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0671","0.0402","","","0.0958","0.1078","","","","","","1.021","","","","has coordinates","301840","2025-08-20","23:45:02","" "4346716","16.5514","0.001","15.5926","0.0008","15.375","0.0008","90","","90","","90","","3968","0.4","103","2","103","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 N4 Nb -","- C36 H72 N4 Nb -","- C144 H288 N16 Nb4 -","4","0.5","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0883","0.0396","","","0.0533","0.0584","","","","","","1.282","","","","has coordinates,has disorder","301840","2025-08-20","23:45:02","" "4346721","16.5585","0.0015","15.5818","0.0015","15.3453","0.0015","90","","90","","90","","3959.3","0.7","103","2","103","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 N4 Ta -","- C36 H72 N4 Ta -","- C144 H288 N16 Ta4 -","4","0.5","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0603","0.0245","","","0.0466","0.0554","","","","","","0.96","","","","has coordinates","301840","2025-08-20","23:45:02","" "4346884","16.185","0.005","14.081","0.004","12.616","0.004","90","","90","","90","","2875.2","1.5","89","2","89","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H15 Br Cu0.5 N4 -","- C14 H15 Br Cu0.5 N4 -","- C112 H120 Br8 Cu4 N32 -","8","1","","Hall, Nikita; Orio, Maylis; Gennari, Marcello; Wills, Christopher; Molton, Florian; Philouze, Christian; Jameson, Geoffrey B.; Halcrow, Malcolm A.; Blackman, Allan G.; Duboc, Carole","Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.","Inorganic chemistry","2016","55","4","1497","1504","10.1021/acs.inorgchem.5b02287","","","0.71069","MoKα","","0.0874","0.07","","","0.1292","0.1383","","","","","","1.076","","","","has coordinates","301840","2025-08-20","23:45:02","" "4346950","24.305","0.003","16.826","0.002","13.773","0.002","90","","90","","90","","5632.6","1.3","100","2","100","2","","","","","","","tetrahydrofuran, diethylether","6","P n n a","-P 2a 2bc","52","","","","- C54 H72 B Co F4 N6 -","- C54 H72 B Co F4 N6 -","- C216 H288 B4 Co4 F16 N24 -","4","0.5","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0746","0.06","","","0.1398","0.1476","","","","","","1.088","","","","has coordinates","301840","2025-08-20","23:45:02","" "4347906","13.209","0.003","13.926","0.003","12.243","0.003","90","","90","","90","","2252.1","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H12 Cd N4 O6 -","- C21 H12 Cd N4 O6 -","- C84 H48 Cd4 N16 O24 -","4","0.5","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0502","0.04","","","0.1067","0.1174","","","","","","1.11","","","","has coordinates","232579","2020-10-21","18:00:00","" "4348042","7.322","0.0002","10.99","0.0003","20.214","0.0006","90","","90","","90","","1626.6","0.08","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","jaa20_0m","K2[(C13H9NO8)Mn(H2O)] H2O","","- C13 H13 K2 Mn N O10 -","- C13 H13 K2 Mn N O10 -","- C52 H52 K8 Mn4 N4 O40 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0333","0.0301","","","0.0786","0.0814","","","","","","1.13","","","","has coordinates","232688","2020-10-21","18:00:00","" "4348045","7.32","0.002","10.894","0.003","20.194","0.006","90","","90","","90","","1610.4","0.8","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","jaa22","K2[(C13H9NO8)Co(H2O)] H2O","","- C13 H13 Co K2 N O10 -","- C13 H13 Co K2 N O10 -","- C52 H52 Co4 K8 N4 O40 -","4","0.5","","Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.","Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.","Inorganic chemistry","2016","55","15","7527","7534","10.1021/acs.inorgchem.6b00908","","","0.71073","MoKα","","0.0335","0.0289","","","0.0732","0.0769","","","","","","1.049","","","","has coordinates","232694","2020-10-21","18:00:00","" "4349221","32.843","0.006","21.455","0.004","19.126","0.004","90","","90","","90","","13477","5","100","","100","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- K11 O128 P5 W30 -","- K11 O128 P5 W30 -","- K44 O512 P20 W120 -","4","0.5","","Hayashi, Akio; Ota, Hiromi; López, Xavier; Hiyoshi, Norihito; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Encapsulation of Two Potassium Cations in Preyssler-Type Phosphotungstates: Preparation, Structural Characterization, Thermal Stability, Activity as an Acid Catalyst, and HAADF-STEM Images.","Inorganic chemistry","2016","55","21","11583","11592","10.1021/acs.inorgchem.6b02116","","","0.71075","MoKα","","0.1138","0.1038","","","0.2165","0.2224","","","","","","1.218","","","","has coordinates","233728","2020-10-21","18:00:00","" "4349267","23.665","0.012","8.326","0.004","18.241","0.011","90","","90","","90","","3594","3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H18 Cl5 N8 O6 Ru -","- C28 H18 Cl5 N8 O6 Ru -","- C112 H72 Cl20 N32 O24 Ru4 -","4","0.5","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","1.5419","CuKα","","0.0935","0.0864","","","0.2329","0.2408","","","","","","1.07","","","","has coordinates","301840","2025-08-20","23:45:03","" "4350008","25.0169","0.0009","25.2369","0.0008","22.522","0.0006","90","","90","","90","","14219.2","0.8","273","2","273","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H74 Cu5 I4 N44 O16 -","- C33 H28 Cu5 I4 N5 O4 -","- C264 H224 Cu40 I32 N40 O32 -","8","1","","Jia, Mingwei; Li, Jiantang; Che, Songtian; Kan, Liang; Li, Guanghua; Liu, Yunling","Two CuxIy-based copper‒organic frameworks with multiple secondary building units (SBUs): structure, gas adsorption and impressive ability of I2 sorption and release","Inorganic Chemistry Frontiers","2019","6","5","1261","","10.1039/C9QI00233B","","","0.71073","MoKα","","0.1089","0.0674","","","0.2005","0.2514","","","","","","1.018","","","","has coordinates,has disorder","237939","2020-10-21","18:00:00","" "4350391","7.0479","0.001","15.307","0.002","17.537","0.003","90","","90","","90","","1891.9","0.5","298","2","298","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C10 H26 N2 O15.5 P2 V2 -","- C10 H25 N2 O15 P2 V2 -","- C40 H100 N8 O60 P8 V8 -","4","0.5","","Zhang, Xian-Ming; Hou, Juan-Juan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two mixed-valence vanadium(III,IV) phosphonoacetates with 16-ring channels: H2(DABCO)[V(IV)O(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O and H2(PIP)[V(IVO)(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O.","Inorganic chemistry","2006","45","20","8120","8125","10.1021/ic060771p","","","0.71073","MoKα","","0.0586","0.0549","","","0.1309","0.1333","","","","","","1.1","","","","has coordinates","239867","2020-10-21","18:00:00","" "4350392","7.0465","0.0009","15.646","0.002","17.396","0.002","90","","90","","90","","1917.9","0.4","298","2","298","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H22 N2 O15.5 P2 V2 -","- C8 H16 N2 O15 P2 V2 -","- C32 H64 N8 O60 P8 V8 -","4","0.5","","Zhang, Xian-Ming; Hou, Juan-Juan; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two mixed-valence vanadium(III,IV) phosphonoacetates with 16-ring channels: H2(DABCO)[V(IV)O(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O and H2(PIP)[V(IVO)(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O.","Inorganic chemistry","2006","45","20","8120","8125","10.1021/ic060771p","","","0.71073","MoKα","","0.1083","0.0799","","","0.202","0.2288","","","","","","0.978","","","","has coordinates,has disorder","239867","2020-10-21","18:00:00","" "4350530","6.7716","0.0004","6.8885","0.0005","12.3605","0.0008","90","","90","","90","","576.57","0.07","90","2","90","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C H Cl Cu N1.5 -","- C H Cl Cu N1.5 -","- C8 H8 Cl8 Cu8 N12 -","8","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","","0.025","0.0225","","","0.0505","0.0524","","","","","","1.229","","","","has coordinates","239925","2020-10-21","18:00:00","" "4500801","28.33","0.003","27.766","0.003","9.9055","0.0011","90","","90","","90","","7791.8","1.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C57 H56 N16 O16 Zn2 -","- C57 H56 N16 O16 Zn2 -","- C228 H224 N64 O64 Zn8 -","4","0.5","","Yao, Xiao-Qiang; Zhang, Ming-Dao; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Two Porous Zinc Coordination Polymers with (10,3) Topological Features Based on a N-Centered Tripodal Ligand and the Conversion of a (10,3)-d Subnet to a (10,3)-a Subnet","Crystal Growth & Design","2011","11","7","3039","","10.1021/cg200315f","","","0.71073","MoKα","","0.0797","0.0506","","","0.0959","0.1","","","","","","1.007","","","","has coordinates","179539","2020-10-21","18:00:00","" "4501982","11.0676","0.0004","20.5981","0.0009","5.1963","0.0002","90","","90","","90","","1184.61","0.08","233","2","233","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","","Robin, Abel; Iavicoli, Patrizia; Wurst, Klaus; Dyer, Matthew S.; Haq, Sam; Amabilino, David B.; Raval, Rasmita","A Racemic Conglomerate Nipped in the Bud: A Molecular View of Enantiomer Cross-Inhibition of Conglomerate Nucleation at a Surface","Crystal Growth & Design","2010","10","10","4516","","10.1021/cg100806w","","","0.71073","MoKα","","0.0325","0.0286","","","0.0736","0.077","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:10","" "4502061","17.271","0.003","7.5384","0.0015","21.382","0.004","90","","90","","90","","2783.8","0.9","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H30 Ag2 N4 O11 -","- C22 H30 Ag2 N4 O11 -","- C88 H120 Ag8 N16 O44 -","4","0.5","","Sun, Di; Xu, Hao-Ran; Yang, Cheng-Feng; Wei, Zhan-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Encapsulated Diverse Water Aggregates in Two Ag(I)/4,4′-Bipyridine/Dicarboxylate Hosts: 1D Water Tape and Chain","Crystal Growth & Design","2010","10","10","4642","","10.1021/cg100927k","","","0.71073","MoKα","","0.0784","0.0643","","","0.1562","0.1646","","","","","","1.077","","","","has coordinates","179551","2020-10-21","18:00:00","" "4502134","15.2583","0.0003","14.7895","0.0003","15.5834","0.0005","90","","90","","90","","3516.59","0.15","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H12.89 Cd0.56 Cl N4 -","- C20 H12.89 Cd0.555 Cl N4 -","- C160 H103.12 Cd4.44 Cl8 N32 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry of Tetra(3-pyridyl)porphyrin. 2. Two- and Three-Dimensional Coordination Networks with Cobalt and Cadmium Ions","Crystal Growth & Design","2010","10","11","5001","","10.1021/cg1011007","","","0.71073","MoKα","","0.1342","0.062","","","0.149","0.1795","","","","","","0.965","","","","has coordinates","179552","2020-10-21","18:00:00","" "4502588","8.598","0.0007","31.731","0.003","15.4683","0.0013","90","","90","","90","","4220.1","0.6","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C52 H32 N10 O4 Pb -","- C52 H32 N10 O4 Pb -","- C208 H128 N40 O16 Pb4 -","4","0.5","","Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang","Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes","Crystal Growth & Design","2010","10","5","2174","","10.1021/cg901431r","","","0.71073","MoKα","","0.0889","0.0457","","","0.1326","0.1565","","","","","","1.005","","","","has coordinates","179556","2020-10-21","18:00:00","" "4503845","23.567","0.005","15.899","0.003","17.476","0.004","90","","90","","90","","6548","2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","Cu2(oba)2(dmf)2","","","- C34 H30 Cu2 N2 O12 -","- C34 H30 Cu2 N2 O12 -","- C136 H120 Cu8 N8 O48 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Huang, Hong; Zhang, Jie-Peng; Chen, Xiao-Ming","Microwave-Assisted Solvothermal Synthesis of a Dynamic Porous Metal-Carboxylate Framework","Crystal Growth & Design","2008","8","12","4559","","10.1021/cg800623v","","","0.71073","MoKα","","0.1764","0.0716","","","0.168","0.1784","","","","","","0.998","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00","" "4504412","12.852","0.007","15.668","0.007","20.39","0.01","90","","90","","90","","4106","4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H28 Cd N8 S2 -","- C40 H28 Cd N8 S2 -","- C160 H112 Cd4 N32 S8 -","4","0.5","","Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets","Crystal Growth & Design","2007","7","12","2576","","10.1021/cg0705456","","","0.71073","MoKα","","","0.0639","","","0.2047","0.2427","","","","","","1.056","","","","has coordinates","179579","2020-10-21","18:00:00","" "4505413","13.7982","0.0003","13.0362","0.0002","9.2955","0.0002","90","","90","","90","","1672.04","0.06","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 Co N10 O -","- C14 H14 Co N10 O -","- C56 H56 Co4 N40 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0413","0.0342","","","0.0937","0.0976","","","","","","1.046","","","","has coordinates","179589","2020-10-21","18:00:00","" "4505414","13.6754","0.0006","13.0449","0.0004","9.2508","0.0004","90","","90","","90","","1650.29","0.11","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 N10 Ni O -","- C14 H12 N10 Ni O -","- C56 H48 N40 Ni4 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0531","0.0411","","","0.107","0.1127","","","","","","1.104","","","","has coordinates","179589","2020-10-21","18:00:00","" "4507801","28.799","0.006","30.905","0.006","15.631","0.003","90","","90","","90","","13912","5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C49 H27 Ag3 Cl3 N7 O14 -","- C48 H24 Ag3 N6 -","- C384 H192 Ag24 N48 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.1463","0.1107","","","0.3245","0.3522","","","","","","1.287","","","","has coordinates","179614","2020-10-21","18:00:00","" "4508062","8.733","0.002","22.98","0.005","16.283","0.004","90","","90","","90","","3267.7","1.3","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32 H21 Br2 Co N8 O9 -","- C32 H21 Br2 Co N8 O9 -","- C128 H84 Br8 Co4 N32 O36 -","4","0.5","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.1239","0.0954","","","0.2521","0.2782","","","","","","1.048","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00","" "4508346","20.58","0.0003","17.9639","0.0003","13.8076","0.0002","90","","90","","90","","5104.63","0.14","220","2","220","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C25 H22 Ag F3 N2 O4 S -","- C25 H12 Ag F3 N2 O4 S -","- C200 H96 Ag8 F24 N16 O32 S8 -","8","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.1064","0.076","","","0.2418","0.2626","","","","","","1.083","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00","" "4508445","10.5081","0.0009","16.6714","0.0014","12.296","0.001","90","","90","","90","","2154.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H22 N2 O5 Zn -","- C18 H22 N2 O5 Zn -","- C72 H88 N8 O20 Zn4 -","4","0.5","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.081","0.0653","","","0.1855","0.1979","","","","","","1.032","","","","has coordinates","179620","2020-10-21","18:00:00","" "4509001","16.429","0.005","11.675","0.005","20.934","0.005","90","0.005","90","0.005","90","0.005","4015","2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C21 H20 O4 Zn -","- C21 H20 O4 Zn -","- C168 H160 O32 Zn8 -","8","1","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71069","MoKα","","0.1807","0.106","","","0.2577","0.3128","","","","","","1.024","","","","has coordinates","179626","2020-10-21","18:00:00","" "4509147","22.833","0.004","14.036","0.002","8.6926","0.0015","90","","90","","90","","2785.8","0.8","120","2","120","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H16 N4 O4 S Zn -","- C11 H16 N4 O4 S Zn -","- C88 H128 N32 O32 S8 Zn8 -","8","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0855","0.0535","","","0.1221","0.1373","","","","","","1.04","","","","has coordinates","179627","2020-10-21","18:00:00","" "4509778","9.0324","0.001","16.1448","0.0018","14.7914","0.0017","90","","90","","90","","2157","0.4","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C84 H72 N8 O16 Zn4 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Yang, Guo-Ping","Syntheses, Structures, and Photoluminescence of a Series of d10Coordination Polymers with R-Isophthalate (R = −OH, −CH3, and −C(CH3)3)","Crystal Growth & Design","2009","9","12","5334","","10.1021/cg900825y","","","0.71073","MoKα","","0.0443","0.0351","","","0.1096","0.1163","","","","","","1.08","","","","has coordinates","179633","2020-10-21","18:00:00","" "4510191","12.7139","0.0005","9.3505","0.0002","12.9473","0.0005","90","","90","","90","","1539.19","0.09","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C13 H13 N O7 U -","- C13 H13 N O7 U -","- C52 H52 N4 O28 U4 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0425","0.0327","","","0.0746","0.0781","","","","","","1.093","","","","has coordinates","179648","2020-10-21","18:00:00","" "4511191","14.713","0.0013","29.325","0.003","14.9917","0.0014","90","","90","","90","","6468.3","1.1","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","[2(C2H5)4N][(C4HN3O5)2][2(NH2)2CS]H2O","","","- C22 H51 N9 O6 S2 -","- C22 H41 N9 O6 S2 -","- C176 H328 N72 O48 S16 -","8","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.1322","0.0654","","","0.1916","0.2524","","","","","","1.011","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00","" "4511538","6.8426","0.0005","20.0479","0.0014","21.4663","0.0015","90","","90","","90","","2944.7","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H26 N8 O9 S2 -","- C18 H26 N8 O9 S2 -","- C72 H104 N32 O36 S8 -","4","0.5","","Xiao, Wenchang; Hu, Chunhua; Carter, Damien J.; Nichols, Shane; Ward, Michael D.; Raiteri, Paolo; Rohl, Andrew L.; Kahr, Bart","Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow","Crystal Growth & Design","2014","14","8","4166","","10.1021/cg500752x","","","0.71073","MoKα","","0.0754","0.0584","","","0.1673","0.1771","","","","","","1.095","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00","" "4511710","16.1322","0.0018","15.7981","0.0018","11.6042","0.0013","90","","90","","90","","2957.4","0.6","200","","200","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H28 Cd N6 O6 -","- C26 H28 Cd N6 O6 -","- C104 H112 Cd4 N24 O24 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0436","0.0348","","","0.0896","0.0927","","","","","","1.055","","","","has coordinates","179664","2020-10-21","18:00:00","" "4511713","16.0788","0.0015","15.177","0.0015","11.3011","0.0011","90","","90","","90","","2757.8","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0513","0.0319","","","0.0859","0.0956","","","","","","0.98","","","","has coordinates","179664","2020-10-21","18:00:00","" "4511714","15.9834","0.0015","15.2006","0.0014","11.3984","0.0011","90","","90","","90","","2769.3","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0583","0.0414","","","0.1355","0.1435","","","","","","1.045","","","","has coordinates","179664","2020-10-21","18:00:00","" "4512406","13.7355","0.0012","40.624","0.004","20.8303","0.0019","90","","90","","90","","11623.1","1.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C51 H55 N6 O10 Zn -","- C42 H28 N4 O4 Zn -","- C336 H224 N32 O32 Zn8 -","8","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.1178","0.0782","","","0.2045","0.218","","","","","","1.055","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00","" "4514392","21.952","0.004","21.691","0.004","31.674","0.005","90","","90","","90","","15082","5","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C136 H96 Cd8 Cl0 N40 O48 -","- C136 Cd8 N40 O48 -","- C272 Cd16 N80 O96 -","2","0.25","","Tian, Dan; Liu, Xiao-Jing; Feng, Rui; Xu, Jia-Li; Xu, Jian; Chen, Rong-Ying; Huang, Ling; Bu, Xian-He","Microporous Luminescent Metal-Organic Framework for a Sensitive and Selective Fluorescence Sensing of Toxic Mycotoxin in Moldy Sugarcane.","ACS applied materials & interfaces","2018","10","6","5618","5625","10.1021/acsami.7b15764","","","0.71073","MoKα","","0.153","0.1383","","","0.3751","0.3841","","","","","","1.021","","","","has coordinates,has disorder","227495","2020-10-21","18:00:00","" "4515409","26.4359","0.0018","17.7874","0.0011","9.5097","0.0006","90","","90","","90","","4471.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C49 H40 N4 Ni2 O14 -","- C49 H40 N4 Ni2 O14 -","- C196 H160 N16 Ni8 O56 -","4","0.5","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Strategic Construction of Highly Stable Metal-Organic Frameworks Combining Both Semi-Rigid Tetrapodal and Rigid Ditopic Linkers: Selective and Ultrafast Sensing of 4-Nitroaniline in Water.","ACS applied materials & interfaces","2018","10","49","42406","42416","10.1021/acsami.8b15894","","","0.71073","MoKα","","0.0467","0.0386","","","0.1201","0.131","","","","","","1.029","","","","has coordinates","225563","2020-10-21","18:00:00","" "4516013","32.6621","0.0015","21.5252","0.001","19.0566","0.0009","90","","90","","90","","13397.9","1.1","173","","173","0.3","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- H81.32 K12.87 O150.66 P5 W30 -","- K12.866 O150.662 P5 W30 -","- K51.464 O602.648 P20 W120 -","4","0.5","","Hayashi, Akio; Wihadi, Muh Nur Khoiru; Ota, Hiromi; López, Xavier; Ichihashi, Katsuya; Nishihara, Sadafumi; Inoue, Katsuya; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative.","ACS omega","2018","3","2","2363","2373","10.1021/acsomega.8b00163","","","0.71073","MoKα","","0.0331","0.0229","","","0.0482","0.0522","","","","","","1.073","","","","has coordinates,has disorder","226054","2020-10-21","18:00:00","" "4516215","15.4063","0.0007","23.1323","0.0011","21.3599","0.001","90","","90","","90","","7612.3","0.6","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C37 H47 Fe2 N4 O6 Pd2 -","- C37 H47 Fe2 N4 O6 Pd2 -","- C296 H376 Fe16 N32 O48 Pd16 -","8","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.71073","MoKα","","0.0541","0.036","","","0.079","0.0869","","","","","","1.05","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00","" "4517012","6.7039","0.0012","10.6697","0.0018","22.602","0.004","90","","90","","90","","1616.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H20 N2 O5 S -","- C16 H20 N2 O5 S -","- C64 H80 N8 O20 S4 -","4","0.5","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja","Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen","ACS Sustainable Chemistry & Engineering","2017","5","7","6322","","10.1021/acssuschemeng.7b01495","","","0.71073","MoKα","","0.1008","0.0648","","","0.1552","0.1754","","","","","","1.024","","","","has coordinates,has disorder","239694","2020-10-21","18:00:00","" "4518388","23.5776","0.0009","45.6755","0.0017","25.9902","0.0009","90","","90","","90","","27989.3","1.8","107","2","106.99","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C240 H200 Cu23 P8 Se16 -","- C240 H200 Cu23 P8 Se16 -","- C960 H800 Cu92 P32 Se64 -","4","0.5","","Huang, Ren-Wu; Yin, Jun; Dong, Chunwei; Maity, Partha; Hedhili, Mohamed Nejib; Nematulloev, Saidkhodzha; Alamer, Badriah; Ghosh, Atanu; Mohammed, Omar F.; Bakr, Osman M.","[Cu23(PhSe)16(Ph3P)8(H)6]·BF4: Atomic-Level Insights into Cuboidal Polyhydrido Copper Nanoclusters and Their Quasi-simple Cubic Self-Assembly","ACS Materials Letters","2020","","","90","99","10.1021/acsmaterialslett.0c00513","","x-ray","1.54184","CuKα","","0.1362","0.1269","","","0.2741","0.279","","","","","","1.129","","","","has coordinates,has disorder","260301","2020-12-31","22:50:16","" "4518481","10.7161","0.0004","20.8498","0.001","6.5316","0.0002","90","","90","","90","","1459.35","0.1","297","","297","","","","","","","","","5","P n n a","-P 2a 2bc","52","Potassium Vanadium Phosphate Hydrate","tripotassium trivanadium tetraphosphate monohydrate","","- H2 K3 O17 P4 V3 -","- H2 K3 O17 P4 V3 -","- H8 K12 O68 P16 V12 -","4","0.5","","Jenkins, Tristram; Alarco, Jose A.; Mackinnon, Ian D. R.","Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K3V3(PO4)4·H2O: A Functional Cathode Material for Potassium-Ion Batteries.","ACS omega","2021","6","3","1917","1929","10.1021/acsomega.0c04675","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.02918","1.08","","","","","","","has coordinates","261424","2021-02-03","21:04:46","" "5000211","16.11899","0.003","22.47198","0.004","9.551","0.002","90","","90","","90","","3459.6","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Potassium magnesium chloride hexahydrate","Carnallite","- Cl3 H12 K Mg O6 -","- Cl3 H12 K Mg O6 -","- Cl36 H144 K12 Mg12 O72 -","12","1.5","","Schlemper, E O; Sen Gupta, P K; Zoltai, T","Refinement of the structure of carnallite, Mg (H~2~ O)~6~ K Cl~3~","American Mineralogist","1985","70","","1309","1313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00","" "5000383","20.912","0.002","16.579","0.001","9.737","0.001","90","","90","","90","","3375.82","","230","2","230","","","","","","","","","2","P n n a","-P 2a 2bc","52","2,4,6,2'4',6'-Hexaphenyl-1,1'-biphenyl","3',5',4'',6''-Tetraphenyl-1,1':2',1'':2'',1'''-quaterphenyl","","- C48 H34 -","- C48 H34 -","- C192 H136 -","4","0.5","","Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal","Polyphenylbiphenyls and Polyphenylfluorenes","Journal of the American Chemical Society","1998","120","","6000","6006","10.1021/ja980322r","","","0.71073","MoKα","","0.1306","5.22","","0.1372","5.22","","","","0.826","1.094","1.094","","","","","has coordinates","301844","2025-08-21","10:11:31","" "6000665","9.7984","","8.2759","","9.6138","","90","","90","","90","","779.59","","","","","","","","","","","","","4","P n n a","","","","","","- B2 H3 Li O5 -","","","","","","Louer, D.; Louer, M.; Touboul, M.","Crystal-structure determination of lithium diborate hydrate, LIB2O3(OH).H2O, from X-ray-powder diffraction data collected with a curved position-sensitive detector","Journal of Applied Crystallography","1992","25","","617","623","10.1107/S0021889892004801","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "7001262","14.141","0.003","18.184","0.004","10.585","0.002","90","","90","","90","","2721.8","1","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H31 I5 O3 U -","- C12 H30 I5 O3 U -","- C48 H120 I20 O12 U4 -","4","0.5","","Schnaars, David D.; Wu, Guang; Hayton, Trevor W.","Reactivity of UI4(OEt2)2 with phenols: probing the chemistry of the U‒I bond","Dalton Transactions","2009","","19","3681","3687","10.1039/b823002a","","","0.71073","MoKα","","0.1534","0.0473","","","0.1047","0.1271","","","","","","0.788","","","","has coordinates","179709","2020-10-21","18:00:00","" "7001565","34.222","0.007","19.487","0.004","19.805","0.004","90","","90","","90","","13208","5","213","2","213","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C140 H112 Bi4 O12 -","- C140 H110 Bi4 O12 -","- C560 H440 Bi16 O48 -","4","0.5","","Mendoza-Espinosa, Daniel; Hanna, Tracy A.","Synthesis, X-ray structures and reactivity of calix[5]arene bismuth(iii) and antimony(iii) complexes","Dalton Transactions","2009","","26","5211","5225","10.1039/b903943k","","","0.71073","MoKα","","0.1314","0.0714","","","0.1992","0.2388","","","","","","1.06","","","","has coordinates","179713","2020-10-21","18:00:00","" "7001851","17.1919","0.0012","41.318","0.003","13.4331","0.001","90","","90","","90","","9542","1.2","150","2","150","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","Bis[2,6-di(4-chloropyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H14 B2 Cl4 F8 Fe N10 -","- C22 H14 B1.99667 Cl4 F7.98333 Fe N10 -","- C264 H168 B23.96 Cl48 F95.8 Fe12 N120 -","12","1.5","","Pritchard, Ruth; Lazar, Hanane; Barrett, Simon A.; Kilner, Colin A.; Asthana, Saket; Carbonera, Chiara; Létard, Jean-François; Halcrow, Malcolm A.","Thermal and light-induced spin-transitions in iron(ii) complexes of 2,6-bis(4-halopyrazolyl)pyridines: the influence of polymorphism on a spin-crossover compound","Dalton Transactions","2009","","33","6656","6666","10.1039/b907094j","","","0.71073","MoKα","","0.1318","0.1135","","","0.3199","0.3368","","","","","","1.062","","","","has coordinates,has disorder","179716","2020-10-21","18:00:00","" "7002859","8.6935","0.0002","11.6497","0.0003","8.3121","0.0002","90","","90","","90","","841.82","0.04","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H7 Co N2 O6 -","- C4 H7 Co N2 O6 -","- C16 H28 Co4 N8 O24 -","4","0.5","","Sengupta, Oindrila; Song, You; Mukherjee, Partha Sarathi","Co(ii) and Cr(iii) complexes of formate‒formamide mixed ligands: synthesis, structures, single crystal-to-single crystal transformation and magnetic behaviour","Dalton Transactions","2009","","46","10343","10352","10.1039/b916878h","","","0.71073","MoKα","","0.0487","0.0441","","","0.1345","0.138","","","","","","1.17","","","","has coordinates","179732","2020-10-21","18:00:00","" "7003065","29.804","0.007","14.946","0.004","15.875","0.004","90","","90","","90","","7072","3","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C34 H30 Cl2 N8 O8 Ru S2 -","- C34 H30 Cl2 N8 O8 Ru S2 -","- C272 H240 Cl16 N64 O64 Ru8 S16 -","8","1","","Rajendiran, Venugopal; Murali, Mariappan; Suresh, Eringathodi; Sinha, Sarika; Somasundaram, Kumaravel; Palaniandavar, Mallayan","Mixed ligand ruthenium(ii) complexes of bis(pyrid-2-yl)-/bis(benzimidazol-2-yl)-dithioether and diimines: Study of non-covalent DNA binding and cytotoxicity","Dalton Transactions","2008","","1","148","","10.1039/b710578a","","","0.71073","MoKα","","0.1449","0.0716","","","0.1365","0.166","","","","","","1.016","","","","has coordinates","179734","2020-10-21","18:00:00","" "7003400","13.484","0.003","20.568","0.004","20.344","0.004","90","","90","","90","","5642","2","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C60 H84 Ga2 N4 Pt -","- C60 H84 Ga2 N4 Pt -","- C240 H336 Ga8 N16 Pt4 -","4","0.5","","Jones, Cameron; Mills, David P.; Rose, Richard P.; Stasch, Andreas","Synthesis and structural characterisation of group 10 metal(ii) gallyl complexes: analogies with platinum diboration catalysts?","Dalton Transactions","2008","","33","4395","4408","10.1039/b715895e","","","0.71073","MoKα","","0.0779","0.0474","","","0.1012","0.1129","","","","","","1.017","","","","has coordinates","179738","2020-10-21","18:00:00","" "7003464","16.251","0.0014","28.641","0.002","12.4848","0.0011","90","","90","","90","","5811","0.8","273","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C30 H24 F6 Ga N4 O2 P -","- C30 H24 F6 Ga N4 O2 P -","- C240 H192 F48 Ga8 N32 O16 P8 -","8","1","","Crispini, Alessandra; Ghedini, Mauro; De Franco, Irene; Aiello, Iolinda; La Deda, Massimo; Godbert, Nicolas; Bellusci, Anna","Synthesis and solid state characterization of hexacoordinated 1 : 1 ionic gallium(iii) complexes","Dalton Transactions","2008","","9","1186","1194","10.1039/b716288j","","","0.71073","MoKα","","0.0751","0.0552","","","0.1657","0.193","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00","" "7003772","12.1838","0.0011","28.772","0.003","14.5984","0.0013","90","","90","","90","","5117.5","0.8","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H28 Al0.5 Cl1.5 O16 -","- C21 H28 Al0.5 Cl1.5 O16 -","- C168 H224 Al4 Cl12 O128 -","8","1","","Shen, Rui; Pan, Xiaobo; Wang, Huifang; Yao, Lihui; Wu, Jincai; Tang, Ning","Selective colorimetric and fluorescent detection of HSO4− with sodium(i), magnesium(ii) and aluminium(iii) xanthone-crown ether complexes","Dalton Transactions","2008","","27","3574","3581","10.1039/b719407b","","","0.71073","MoKα","","0.146","0.0821","","","0.2387","0.2716","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00","" "7005626","9.4217","0.0008","22.1411","0.0019","26.34","0.006","90","","90","","90","","5494.7","1.4","110","2","110","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C48 H26 Ca0.19 Er N4 O10 -","- C48 H26 Ca0.187 Er N4 O10 -","- C192 H104 Ca0.748 Er4 N16 O40 -","4","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","Framework coordination polymers of tetra(4-carboxyphenyl)porphyrin and lanthanide ions in crystalline solids.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3273","3281","10.1039/b703698a","","","0.71073","MoKα","","0.0837","0.0424","","","0.1012","0.1095","","","","","","0.865","","","","has coordinates","179760","2020-10-21","18:00:00","" "7007548","26.135","0.013","16.356","0.008","26.135","0.013","90","","90","","90","","11172","10","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C18 H31 B10 Fe O3 Rh S2 -","- C18 H31 B10 Fe O3 Rh S2 -","- C288 H496 B160 Fe16 O48 Rh16 S32 -","16","2","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.1139","0.0397","","","0.0548","0.0647","","","","","","0.662","","","","has coordinates","179779","2020-10-21","18:00:00","" "7008594","11.243","0.005","13.823","0.005","16.083","0.005","90","","90","","90","","2499.5","1.6","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C25 H20 Cl2 Cu N6 O2 S2 -","- C25 H20 Cl2 Cu N6 O2 S2 -","- C100 H80 Cl8 Cu4 N24 O8 S8 -","4","0.5","","Kumar Singh, Akhilesh; Mukherjee, Rabindranath","Structure and properties of bivalent nickel and copper complexes with pyrazine-amide-thioether coordination: stabilization of trivalent nickel.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2886","2891","10.1039/b504893a","","","0.71069","MoKα","","0.0428","0.036","","","0.0894","0.0928","","","","","","1.029","","","","has coordinates","179789","2020-10-21","18:00:00","" "7010357","13.8843","0.0004","15.7193","0.0004","18.149","0.0006","90","","90","","90","","3961","0.2","120","2","120","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C9 H17 Ag B11 I Mo O3 -","- C9 H17 Ag B11 I Mo O3 -","- C72 H136 Ag8 B88 I8 Mo8 O24 -","8","1","","Patmore, Nathan J.; Mahon, Mary F.; Steed, Jonathan W.; Weller, Andrew S.","Synthesis and characterisation of {Mo(η-L)(CO)3}+ (η-L = C5H5 or C5Me5) fragments ligated with [CB11H12]− and derivatives. Isolation and structural characterisation of an intermediate in a silver salt metathesis reaction","Journal of the Chemical Society, Dalton Transactions","2001","","3","277","","10.1039/b008222h","","","0.71073","MoKα","","0.0725","0.0563","","","0.1101","0.1145","","","","","","1.229","","","","has coordinates","179807","2020-10-21","18:00:00","" "7012262","19.446","0.004","16.67","0.003","14.582","0.003","90","","90","","90","","4727","1.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C46 H42 Fe2 N6 O7 -","- C45.997 H39.99 Fe2 N6 O6.999 -","- C183.988 H159.96 Fe8 N24 O27.996 -","4","0.5","","Mo Hong; Fang Chen-jie; Duan Chun-ying; Li Yu-ting; Meng Qing-jin","Crystal structures of metal‒organic frameworks sustained by π‒π interactions between triple-helices","Dalton Trans.","2003","","7","1229","1234","10.1039/b209366a","","","0.71073","MoKα","","0.0797","0.0563","","","0.1513","0.1649","","","","","","1.078","","","","has coordinates,has disorder","179826","2020-10-21","18:00:00","" "7012263","19.557","0.004","16.232","0.003","14.405","0.003","90","","90","","90","","4572.9","1.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C47 H37 Fe2 N7 O6 -","- C47 H35 Fe2 N7 O6 -","- C188 H140 Fe8 N28 O24 -","4","0.5","","Mo Hong; Fang Chen-jie; Duan Chun-ying; Li Yu-ting; Meng Qing-jin","Crystal structures of metal‒organic frameworks sustained by π‒π interactions between triple-helices","Dalton Trans.","2003","","7","1229","1234","10.1039/b209366a","","","0.71073","MoKα","","0.064","0.053","","","0.1714","0.1804","","","","","","1.048","","","","has coordinates,has disorder","179826","2020-10-21","18:00:00","" "7012612","14.7685","0.0009","10.8176","0.0007","9.0272","0.0005","90","","90","","90","","1442.18","0.15","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H14 Cu N2 O8 -","- C12 H14 Cu N2 O8 -","- C48 H56 Cu4 N8 O32 -","4","0.5","","Tynan, Eithne; Jensen, Paul; Kruger, Paul E.; Lees, Anthea C.; Nieuwenhuyzen, Mark","Coordination and hydrogen bonded networks featuring 4,4'-dicarboxy-2,2'-bipyridine (H2dcbp): structural characterisation of H2dcbp, [Co(dcbp)(H2O)4]·4H2O, and {[Cu(dcbp)(H2O)2]·2H2O}n","Dalton Transactions","2003","","7","1223","","10.1039/b212318e","","","0.71073","MoKα","","0.0585","0.0532","","","0.1059","0.1076","","","","","","1.274","","","","has coordinates","179830","2020-10-21","18:00:00","" "7013502","14.871","0.003","22.146","0.004","19.937","0.004","90","","90","","90","","6566","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C41 H77 Cu4 N8 O35.5 P2 -","- C41 H32 Cu4 N8 O35.5 P2 -","- C164 H128 Cu16 N32 O142 P8 -","4","0.5","","Doyle, Robert P.; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.; Nieuwenhuyzen, Mark","Synthesis and structural and magnetic characterisation of tetranuclear Cu(ii) complexes possessing novel [Cu4(�4-PO4)2(�2-CO3)] butterfly cores that exhibit supramolecular isomerismElectronic supplementary information (ESI) available: Figs. S1?3: Selected views of the 3D H-bonded water networks encapsulating 1, 1a and 2 showing oxygen?oxygen close contacts. See http://www.rsc.org/suppdata/dt/b3/b309275e/","Dalton Transactions","2003","","22","4230","","10.1039/b309275e","","","0.71073","MoKα","","0.1204","0.0526","","","0.1377","0.1522","","","","","","0.921","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7014753","15.7382","0.0005","16.4401","0.0006","15.7189","0.0005","90","","90","","90","","4067.1","0.2","100","","100","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H40 Cu F12 N4 P2 -","- C36 H40 Cu F12 N4 P2 -","- C144 H160 Cu4 F48 N16 P8 -","4","0.5","","Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2268","2274","10.1039/c0dt01129k","","","0.71075","MoKα","","","0.0535","","","","0.1848","","","","","","1.075","","","","has coordinates","179851","2020-10-21","18:00:00","" "7015694","28.3515","0.0017","14.9001","0.0009","12.9781","0.0008","90","","90","","90","","5482.5","0.6","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 H24 Cl2 N8 Sn -","- C44 H24 Cl2 N8 Sn -","- C176 H96 Cl8 N32 Sn4 -","4","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","Open and closed states of a porphyrin based molecular turnstile.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3517","3523","10.1039/c1dt00004g","","","0.71073","MoKα","","0.1372","0.0775","","","0.1938","0.2069","","","","","","1.033","","","","has coordinates","179860","2020-10-21","18:00:00","" "7016066","7.5399","0.0002","25.5298","0.0008","11.9645","0.0004","90","","90","","90","","2303.07","0.12","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C24 H16 Co N4 O9 -","- C24 H16 Co N4 O9 -","- C96 H64 Co4 N16 O36 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.0415","0.038","","","0.0985","0.1032","","","","","","1.016","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00","" "7016067","7.818","0.003","25.901","0.011","11.164","0.005","90","","90","","90","","2260.6","1.6","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H14 Co N4 O8 -","- C26 H14 Co N4 O8 -","- C104 H56 Co4 N16 O32 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.068","0.0473","","","0.1289","0.1392","","","","","","1.038","","","","has coordinates","179864","2020-10-21","18:00:00","" "7016068","7.7887","0.0002","25.7842","0.0007","11.1256","0.0003","90","","90","","90","","2234.3","0.1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H14 N4 Ni O8 -","- C26 H14 N4 Ni O8 -","- C104 H56 N16 Ni4 O32 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.0619","0.0435","","","0.107","0.1203","","","","","","1.015","","","","has coordinates","179864","2020-10-21","18:00:00","" "7016069","7.781","0.0002","25.9579","0.0006","11.1745","0.0002","90","","90","","90","","2257.01","0.09","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H14 N4 O8 Zn -","- C26 H14 N4 O8 Zn -","- C104 H56 N16 O32 Zn4 -","4","0.5","","Zhang, Jian-Yong; Ma, Yu; Cheng, Ai-Ling; Yue, Qi; Sun, Qian; Gao, En-Qing","Synthesis, structures, and magnetic properties of transition metal compounds with 2,2'-dinitrobiphenyl-4,4'-dicarboxylate and N,N'-chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7219","7227","10.1039/c1dt10158g","","","0.71073","MoKα","","0.0439","0.0392","","","0.1043","0.1098","","","","","","1.022","","","","has coordinates","179864","2020-10-21","18:00:00","" "7016507","29.5","0.02","14.724","0.013","10.274","0.009","90","","90","","90","","4463","6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H22 N4 O6 Zn -","- C18 H14 N4 O4 Zn -","- C144 H112 N32 O32 Zn8 -","8","1","","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","","0.1532","0.06","","","0.1476","0.1677","","","","","","1.005","","","","has coordinates","179869","2020-10-21","18:00:00","" "7016938","26.7628","0.0017","26.7351","0.0018","20.3079","0.0011","90","","90","","90","","14530.4","1.6","173","2","173","2","","","","","","","","9","P n n a","-P 2a 2bc","52","","","","- C64.5 H85 Cl F6 I3 N8 O0 P Rh2 -","- C58.5 H71 Cl F6 I3 N8 P Rh2 -","- C468 H568 Cl8 F48 I24 N64 P8 Rh16 -","8","1","","Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin","Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9911","9920","10.1039/c1dt11116g","","","0.71073","MoKα","","0.2121","0.0827","","","0.1977","0.2425","","","","","","0.837","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7017181","16.678","0.0009","17.1571","0.001","19.011","0.0011","90","","90","","90","","5439.9","0.5","298","2","298","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C53 H52 Cl2 Cu2 N14 O14 -","- C53 H52 Cl2 Cu2 N14 O14 -","- C212 H208 Cl8 Cu8 N56 O56 -","4","0.5","","Meng, Xianggao; Liu, Liang; Zhang, Hang; Luo, Yuanyuan; Liu, Changlin","Tris(benzimidazolyl)amine-Cu(ii) coordination units bridged by carboxylates: structures and DNA-condensing property.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12846","12855","10.1039/c1dt10695c","","","0.71073","Mokα","","0.1051","0.0675","","","0.1738","0.1957","","","","","","1.062","","","","has coordinates","179875","2020-10-21","18:00:00","" "7017350","9.8501","0.0012","18.1491","0.0018","15.1858","0.0014","90","","90","","90","","2714.8","0.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H22 Cu N4 O5 -","- C32 H22 Cu N4 O5 -","- C128 H88 Cu4 N16 O20 -","4","0.5","","Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng","Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11856","11865","10.1039/c1dt11130b","","","0.71073","MoKα","","0.072","0.0478","","","0.1161","0.128","","","","","","1.043","","","","has coordinates","179877","2020-10-21","18:00:00","" "7017889","24.684","0.005","27.669","0.011","19.703","0.005","90","","90","","90","","13457","7","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C118 H105 Fe6 N O34 -","- C118 H105 Fe6 N O34 -","- C472 H420 Fe24 N4 O136 -","4","0.5","","Harben, Spencer M.; Mosselmans, J Frederick W; Ryan, Áine T; Whitwood, Adrian C.; Walton, Paul H.","Polymer imprinting with iron-oxo-hydroxo clusters: [Fe6O2(OH)2(O2CC(Cl)=CH2)12(H2O)2], [Fe6O2(OH)2(O2C-Ph-(CH)=CH2)12(H2O)2] and [{Fe(O2CC(Cl)=CH2)(OMe)2}10].","Dalton transactions (Cambridge, England : 2003)","2012","41","1","208","218","10.1039/c1dt11614b","","","0.71069","MoKα","","0.1468","0.0659","","","0.1774","0.2031","","","","","","0.908","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00","" "7019247","24.569","0.004","14.682","0.002","22.399","0.003","90","","90","","90","","8080","2","278","2","278","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H30 Cu6 N18 O28 S5 -","- C24 H30 Cu6 N18 O28 S5 -","- C96 H120 Cu24 N72 O112 S20 -","4","0.5","","Murdock, Christopher R.; Lu, Zheng; Jenkins, David M.","Utilizing a copper MOF as a reagent in a solvent mediated reaction to form a topologically distinct MOF.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7839","7841","10.1039/c2dt30078h","","","0.71073","MoKα","","0.1204","0.0997","","","0.2924","0.3151","","","","","","1.232","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00","" "7020892","13.848","0.004","17.564","0.005","19.573","0.002","90","","90","","90","","4761","2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C56 H40 Cu2 I2 N4 -","- C56 H40 Cu2 I2 N4 -","- C224 H160 Cu8 I8 N16 -","4","0.5","","Papanikolaou, Panagiotis; Mohanraj, John; Czapik, Agnieszka; Gdaniec, Maria; Accorsi, Gianluca; Akrivos, Pericles","Capturing the geometry of the emissive state of a Cu(i) red emitter through strong intramolecular stacking forces","Dalton Transactions","2013","42","10","3357","","10.1039/c2dt32324a","","","0.71073","MoKα","","0.0812","0.0628","","","0.1397","0.1531","","","","","","1.039","","","","has coordinates","179913","2020-10-21","18:00:00","" "7021089","23.9585","0.0008","17.9749","0.0004","12.0272","0.0003","90","","90","","90","","5179.5","0.2","180","2","180","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H12 B2 Li N -","- C2 H12 B2 Li N -","- C64 H384 B64 Li32 N32 -","32","4","","Less, Robert J.; Simmonds, Hayley R.; Dane, Sarah B. J.; Wright, Dominic S.","Stoichiometric and catalytic reactions of LiAlH4 with Me2NHBH3.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6337","6343","10.1039/c2dt32569a","","","0.71073","MoKα","","0.1246","0.0619","","","0.1806","0.1973","","","","","","0.935","","","","has coordinates","179915","2020-10-21","18:00:00","" "7021346","27.692","0.007","23.442","0.006","14.633","0.003","90","","90","","90","","9499","4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C90.5 H104 N6 O10.5 Zn3 -","- C90.25 H104 N6 O10.25 Zn3 -","- C361 H416 N24 O41 Zn12 -","4","0.5","","Anselmo, Daniele; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7962","7970","10.1039/c3dt00067b","","","0.71073","MoKα","","0.1864","0.0993","","","0.2954","0.3151","","","","","","0.987","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7022009","16.7526","0.0005","26.7988","0.0008","16.5905","0.0005","90","","90","","90","","7448.3","0.4","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C68 H72 F12 N4 O12 Zn4 -","- C68 H72 F12 N4 O12 Zn4 -","- C272 H288 F48 N16 O48 Zn16 -","4","0.5","","Abtab, Sk Md Towsif; Audhya, Anandalok; Kundu, Nabanita; Samanta, Swarna Kamal; Sardar, Pinki Saha; Butcher, Ray J.; Ghosh, Sanjib; Chaudhury, Muktimoy","Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of carboxylate ligands in a rare η2:η2:μ4-bridging mode: syntheses, structures and emission properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1848","1861","10.1039/c2dt30347g","","","0.71073","MoKα","","0.0812","0.0435","","","0.1053","0.1141","","","","","","1.087","","","","has coordinates,has disorder","301848","2025-08-21","12:23:39","" "7023237","10.4385","0.0014","27.184","0.002","9.3482","0.0009","90","","90","","90","","2652.6","0.5","293","2","291","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H40 Eu2 O19 -","- C36 H40 Eu2 O19 -","- C72 H80 Eu4 O38 -","2","0.25","","Zhou, Xin-Hui; Li, Liang; Li, Hong-Hui; Li, Ao; Yang, Tao; Huang, Wei","A flexible Eu(III)-based metal-organic framework: turn-off luminescent sensor for the detection of Fe(III) and picric acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12403","12409","10.1039/c3dt51081f","","","0.71073","MoKα","","0.1126","0.0774","","","0.2045","0.2317","","","","","","1.075","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00","" "7023802","18.819","0.004","8.8399","0.0018","11.508","0.002","90","","90","","90","","1914.4","0.7","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10.7 H17.8 Mn2 N5 O11.7 -","- C10.7 H14.4 Mn2 N5 O11.7 -","- C42.8 H57.6 Mn8 N20 O46.8 -","4","0.5","","Liu, Zhong-Yi; Zou, Hong-Ai; Hou, Zhao-Jun; Yang, En-Cui; Zhao, Xiao-Jun","Structural motif-dependent magnetic diversity observed in three-dimensional tetrazolyl-based MMOFs: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15716","15725","10.1039/c3dt52190g","","","0.71073","MoKα","","0.0969","0.0942","","","0.3434","0.3466","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7024122","22.0069","0.0003","25.202","0.0005","24.8731","0.0003","90","","90","","90","","13795.1","0.4","160","1","160","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","bis[5,5""-bis-(4-methoxy-2,6-dimethylphenyl)- [2,2':6,2""]terpyridine]nickel(II) hexafluorophosphate tri-acetonitrile solvate","","- C72 H71 F12 N9 Ni O4 P2 -","- C72 H69.5 F12 N9 Ni O4 P2 -","- C576 H556 F96 N72 Ni8 O32 P16 -","8","1","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.1059","0.0563","","","0.1196","0.144","","","","","","1.03","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00","" "7024123","22.0072","0.0003","24.9787","0.0004","25.1014","0.0003","90","","90","","90","","13798.5","0.3","160","1","160","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","bis[5,5""-bis-(4-methoxy-2,6-dimethylphenyl)- [2,2':6,2""]terpyridine]copper(II) hexafluorophosphate 2.5-acetonitrile solvate","","- C71 H69.5 Cu F12 N8.5 O4 P2 -","- C66 H62 Cu F12 N6 O4 P2 -","- C528 H496 Cu8 F96 N48 O32 P16 -","8","1","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.1321","0.0984","","","0.2407","0.2595","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7024124","22.0637","0.0002","25.1063","0.0004","25.1199","0.0004","90","","90","","90","","13914.9","0.3","160","1","160","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","bis[5,5""-bis-(4-methoxy-2,6-dimethylphenyl)- [2,2':6,2""]terpyridine]zinc(II) hexafluorophosphate 2.82-acetonitrile solvate","","- C71.65 H70.47 F12 N8.82 O4 P2 Zn -","- C71.648 H68.972 F12 N8.824 O4 P2 Zn -","- C573.184 H551.776 F96 N70.592 O32 P16 Zn8 -","8","1","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.1116","0.0603","","","0.1338","0.1587","","","","","","1.018","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00","" "7024476","8.8326","0.0018","10.159","0.002","13.979","0.003","90","","90","","90","","1254.3","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C9 H5 N0 O7 Y -","- C9 H3 O7 Y -","- C36 H12 O28 Y4 -","4","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","","0.1067","0.0935","","","0.275","0.2843","","","","","","1.126","","","","has coordinates","179949","2020-10-21","18:00:00","" "7024644","26.0986","0.0001","22.3068","0.0003","13.8496","0.0003","90","","90","","90","","8062.9","0.2","150","","150","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C56 H32 Co3 O16 -","- C56 H32 Co3 O16 -","- C224 H128 Co12 O64 -","4","0.5","","Du, Yi; Thompson, Amber L.; Russell, Nicola; O'Hare, Dermot","Resin-assisted solvothermal synthesis of transition metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3384","3395","10.1039/b919675g","","","0.71073","MoKα","","0.0808","0.0732","","0.0852","0.0765","0.0753","","","","","","1.0007","","","","has coordinates","179951","2020-10-21","18:00:00","" "7025690","19.8071","0.0012","23.3437","0.0015","16.0781","0.0009","90","","90","","90","","7434","0.8","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C62 H92 Co2 Dy2 N6 O20 -","- C58 H86 Co2 Dy2 N4 O20 -","- C232 H344 Co8 Dy8 N16 O80 -","4","0.5","","Zhao, Xiao-Qing; Lan, Yanhua; Zhao, Bin; Cheng, Peng; Anson, Christopher E.; Powell, Annie K.","Synthesis, structures and magnetic properties of a series of 3d-4f tetranuclear Co(II)₂Ln(III)₂ cubanes.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4911","4917","10.1039/c002841j","","","0.71073","MoKα","","0.0869","0.0635","","","0.1504","0.1613","","","","","","0.997","","","","has coordinates","179962","2020-10-21","18:00:00","" "7028108","12.038","0.004","22.323","0.005","7.665","0.004","90","","90","","90","","2059.8","1.4","296.2","","296.2","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C6 H6 Ag0.5 Cl0.5 N2 O2 S2 -","- C6 H6 Ag0.25 Cl0.25 N2 O2 S2 -","- C48 H48 Ag2 Cl2 N16 O16 S16 -","8","1","","Suenaga, Yusaku; Yan, Sheng Gang; Wu, Liang Ping; Ino, Ichiro; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu","Self-assembly of copper(I) and silver(I) complexes with square-grid and channel structures","Journal of the Chemical Society, Dalton Transactions","1998","","7","1121","","10.1039/a707617g","","","0.7107","MoKα","","","0.07","","","0.097","","","","","3.44","3.44","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7028629","16.7661","0.0015","14.0696","0.0013","20.4444","0.0019","90","","90","","90","","4822.7","0.8","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C48 H44 Cl4 N6 O7 Zn2 -","- C48 H31 Cl4 N6 O7 Zn2 -","- C192 H124 Cl16 N24 O28 Zn8 -","4","0.5","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.0723","0.0478","","","0.1287","0.1472","","","","","","1.041","","","","has coordinates","179992","2020-10-21","18:00:00","" "7028788","19.2359","0.0018","18.1915","0.0015","10.2582","0.0009","90","","90","","90","","3589.7","0.5","113","2","113","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H56 N4 O8 Zr -","- C32 H56 N4 O8 Zr -","- C128 H224 N16 O32 Zr4 -","4","0.5","","Banerjee, Manish; Seidel, Rüdiger W; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; Devi, Anjana","Novel β-ketoiminato complexes of zirconium: synthesis, characterization and evaluation for solution based processing of ZrO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2384","2396","10.1039/c3dt52335g","","","0.71073","MoKα","","0.1294","0.0608","","","0.1266","0.155","","","","","","1.02","","","","has coordinates","301848","2025-08-21","12:23:50","" "7028892","24.641","0.009","15.066","0.005","16.081","0.005","90","","90","","90","","5970","3","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C42 H96 Ag6 P2 S6 -","- C42 H96 Ag6 P2 S6 -","- C168 H384 Ag24 P8 S24 -","4","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0792","0.0411","","","0.0878","0.1056","","","","","","1.026","","","","has coordinates,has disorder","301848","2025-08-21","12:23:50","" "7034811","13.152","0.003","17.365","0.004","9.3149","0.0019","90","","90","","90","","2127.4","0.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Li, Zuo-Xi; Ye, Gan; Han, Juan; Yang, Ying; Zou, Kang-Yu; Wang, Xin; Wang, Xiao-Ling; Gou, Xiao-Feng","1D-3D mixed-ligand frameworks with an unusual dmp topology tuned by intersection angles of isomeric benzenedicarboxylates: magnetic properties, gas-dependent calcination-thermolysis and energy storage performances.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9209","9220","10.1039/c5dt00963d","","","0.71073","MoKα","","0.0542","0.0416","","","0.0938","0.0991","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00","" "7036476","23.5795","0.0004","16.9585","0.0003","9.1362","0.0002","90","","90","","90","","3653.32","0.12","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C40 H42 Co N4 O6 S2 -","- C40 H42 Co N4 O6 S2 -","- C160 H168 Co4 N16 O24 S8 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Wang, Jun-Jie; Ng, Seik Weng","A series of phenyl sulfonate metal coordination polymers as catalysts for one-pot Biginelli reactions under solvent-free conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17829","17840","10.1039/c5dt03135d","","","1.54184","CuKα","","0.1016","0.0943","","","0.2348","0.2463","","","","","","1.026","","","","has coordinates,has disorder","161890","2020-10-21","18:00:00","" "7036681","14.044","0.003","20.297","0.004","23.635","0.005","90","","90","","90","","6737","2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C43 H61 Cd3 N28 O12 -","- C30 H20 Cd3 N25 O3 -","- C120 H80 Cd12 N100 O12 -","4","0.5","","Liu, Yan-Qing; Ren, Guo-Jian; Zhang, Ying-Hui; Xu, Jian; Bu, Xian-He","Constructing novel Cd(ii) metal-organic frameworks based on different highly connected secondary building units via alteration of reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20361","20366","10.1039/c5dt02987b","","","0.71073","MoKα","","0.1138","0.0818","","","0.2123","0.2257","","","","","","0.959","","","","has coordinates","171242","2020-10-21","18:00:00","" "7037005","13.0574","0.0005","9.9328","0.0004","17.5051","0.0006","90","","90","","90","","2270.35","0.15","293","","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Liu, Min-Min; Bi, Yan-Lin; Dang, Qin-Qin; Zhang, Xian-Ming","Reversible single-crystal-to-single-crystal transformation from a mononuclear complex to a fourfold interpenetrated MOF with selective adsorption of CO2.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19796","19799","10.1039/c5dt03570h","","","0.71073","MoKα","","0.0667","0.0423","","","0.1198","0.1292","","","","","","1.062","","","","has coordinates","171137","2020-10-21","18:00:00","" "7037010","16.3472","0.0001","15.8805","0.0001","16.0853","0.0001","90","","90","","90","","4175.77","0.04","123","2","123.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H32 Cl6 Ga2 N8 -","- C40 H32 Cl6 Ga2 N8 -","- C160 H128 Cl24 Ga8 N32 -","4","0.5","","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","","0.0281","0.0258","","","0.0713","0.0734","","","","","","1.045","","","","has coordinates,has disorder","171240","2020-10-21","18:00:00","" "7037850","6.772","0.002","13.756","0.005","10.34","0.004","90","","90","","90","","963.2","0.6","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H3 Cs N8 O3 -","- C4 H3 Cs N8 O3 -","- C16 H12 Cs4 N32 O12 -","4","0.5","","Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai","Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3590","3598","10.1039/c5dt04731e","","","0.71073","MoKα","","0.0619","0.0568","","","0.0863","0.0881","","","","","","1.401","","","","has coordinates","177833","2020-10-21","18:00:00","" "7040880","13.1891","0.0006","10.685","0.0006","6.6081","0.0003","90","","90","","90","","931.25","0.08","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- Co F H3 O5 S -","- Co F H3 O5 S -","- Co8 F8 H24 O40 S8 -","8","1","","Marri, Subba R.; Kumar, Jitendra; Panyarat, Kitt; Horike, Satoshi; Behera, J. N.","Kagome-type isostructural 3D-transition metal fluorosulfates with spin 3/2 and 1: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17792","17797","10.1039/c6dt03173k","","","0.71073","MoKα","","0.0563","0.0541","","","0.1241","0.1248","","","","","","1.408","","","","has coordinates,has disorder","190183","2020-10-21","18:00:00","" "7040881","13.0149","0.0003","10.6079","0.0003","6.5455","0.0002","90","","90","","90","","903.68","0.04","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- F H3 Ni O5 S -","- F H3 Ni O5 S -","- F8 H24 Ni8 O40 S8 -","8","1","","Marri, Subba R.; Kumar, Jitendra; Panyarat, Kitt; Horike, Satoshi; Behera, J. N.","Kagome-type isostructural 3D-transition metal fluorosulfates with spin 3/2 and 1: synthesis, structure and characterization.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17792","17797","10.1039/c6dt03173k","","","0.71073","MoKα","","0.0572","0.0503","","","0.1143","0.1164","","","","","","1.359","","","","has coordinates,has disorder","190183","2020-10-21","18:00:00","" "7041137","14.6557","0.001","22.6968","0.0016","10.1625","0.0008","90","","90","","90","","3380.4","0.4","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30.75 H28.75 Br2 Cl2 N4 Zn -","- C30.68 H28.68 Br2 Cl2.04 N4 Zn -","- C122.72 H114.72 Br8 Cl8.16 N16 Zn4 -","4","0.5","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0756","0.0619","","","0.1885","0.198","","","","","","1.091","","","","has coordinates,has disorder","190214","2020-10-21","18:00:00","" "7041138","14.4863","0.0013","22.1482","0.0019","11.089","0.0011","90","","90","","90","","3557.9","0.6","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C15.38 H14.38 Cl1.25 I N2 Zn0.5 -","- C15.4 H14.4 Cl1.3 I N2 Zn0.5 -","- C123.2 H115.2 Cl10.4 I8 N16 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0936","0.0558","","","0.1585","0.1766","","","","","","1.111","","","","has coordinates,has disorder","190214","2020-10-21","18:00:00","" "7041139","14.7372","0.0011","22.7121","0.0016","9.9658","0.0008","90","","90","","90","","3335.7","0.4","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H14.5 Cl2.5 N2 Zn0.5 -","- C16 H14.5 Cl2.5 N2 Zn0.5 -","- C128 H116 Cl20 N16 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0967","0.0839","","","0.2415","0.2599","","","","","","1.04","","","","has coordinates,has disorder","190214","2020-10-21","18:00:00","" "7041140","14.7485","0.0014","22.317","0.002","10.457","0.0011","90","","90","","90","","3441.8","0.6","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C17 H17 Cl N3 Zn0.5 -","- C17 H17 Cl N3 Zn0.5 -","- C136 H136 Cl8 N24 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0536","0.0384","","","0.1002","0.1111","","","","","","1.017","","","","has coordinates","190214","2020-10-21","18:00:00","" "7041141","14.8955","0.0011","22.5127","0.0017","10.2599","0.0007","90","","90","","90","","3440.5","0.4","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C17 H17 Br N3 Zn0.5 -","- C17 H17 Br N3 Zn0.5 -","- C136 H136 Br8 N24 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.1355","0.106","","","0.2787","0.307","","","","","","0.96","","","","has coordinates","190214","2020-10-21","18:00:00","" "7041142","15.077","0.003","22.57","0.004","10.412","0.002","90","","90","","90","","3543.1","1.2","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16.5 H15.75 I N2.5 Zn0.5 -","- C16 H14 I N2.5 Zn0.5 -","- C128 H112 I8 N20 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.2136","0.1506","","","0.3736","0.4593","","","","","","1.004","","","","has coordinates","190214","2020-10-21","18:00:00","" "7041143","14.9803","0.0014","22.733","0.0019","10.0998","0.0008","90","","90","","90","","3439.5","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16.5 H17 I N2.5 Zn0.5 -","- C16 H14 I N2.5 Zn0.5 -","- C128 H112 I8 N20 Zn4 -","8","1","","Cametti, Massimo; Martí-Rujas, Javier","Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18832","18837","10.1039/c6dt03803d","","","1.54178","CuKα","","0.0726","0.0513","","","0.1247","0.137","","","","","","1.154","","","","has coordinates","190214","2020-10-21","18:00:00","" "7041277","12.90542","0.00015","25.563","0.0003","22.9782","0.0003","90","","90","","90","","7580.54","0.16","120","1","120","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C66 H84 Cl2 La N6 Ni2 O20 -","- C66 H84 Cl2 La N6 Ni2 O20 -","- C264 H336 Cl8 La4 N24 Ni8 O80 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0718","0.0614","","","0.1723","0.1789","","","","","","1.073","","","","has coordinates","301850","2025-08-21","14:32:47","" "7041278","12.91505","0.00016","25.5924","0.0003","22.9435","0.0003","90","","90","","90","","7583.45","0.16","120","1","120","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C66 H84 Ce Cl2 N6 Ni2 O20 -","- C66 H84 Ce Cl2 N6 Ni2 O20 -","- C264 H336 Ce4 Cl8 N24 Ni8 O80 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0834","0.0775","","","0.1796","0.1823","","","","","","1.217","","","","has coordinates","301850","2025-08-21","14:32:47","" "7041279","12.94563","0.00015","25.5344","0.0003","22.9043","0.0003","90","","90","","90","","7571.22","0.16","120","1","120","1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C66 H84 Cl2 N6 Nd Ni2 O20 -","- C66 H84 Cl2 N6 Nd Ni2 O20 -","- C264 H336 Cl8 N24 Nd4 Ni8 O80 -","4","0.5","","Comba, Peter; Enders, Markus; Großhauser, Michael; Hiller, Markus; Müller, Dennis; Wadepohl, Hubert","Solution and solid state structures and magnetism of a series of linear trinuclear compounds with a hexacoordinate Ln(III) and two terminal Ni(II) centers.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","138","149","10.1039/c6dt03488h","","x-ray","0.71073","MoKα","","0.0729","0.0671","","","0.1655","0.1683","","","","","","1.169","","","","has coordinates","301850","2025-08-21","14:32:47","" "7041969","16.44713","0.00019","64.8158","0.0007","16.02847","0.00018","90","","90","","90","","17086.9","0.3","293","2","293","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C84 H96 Au2 F12 N8 P2 -","- C84 H96 Au2 F12 N8 P2 -","- C672 H768 Au16 F96 N64 P16 -","8","1","","Lozada-Rodríguez, Leticia; Pelayo-Vázquez, José B; Rangel-Salas, Irma I; Alvarado-Rodríguez, José G; Peregrina-Lucano, A Aarón; Pérez-Centeno, Armando; López-Dellamary-Toral, Fernando A; Cortes-Llamas, Sara A","From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3809","3811","10.1039/c7dt00322f","","","1.54184","CuKα","","0.0907","0.0857","","","0.1924","0.1951","","","","","","1.276","","","","has coordinates,has disorder","301850","2025-08-21","14:32:48","" "7042552","13.6038","0.0004","25.613","0.0007","11.863","0.0003","90","","90","","90","","4133.5","0.2","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H20 Br2 N2 Si2 Zn -","- C14 H20 Br2 N2 Si2 Zn -","- C112 H160 Br16 N16 Si16 Zn8 -","8","1","","Choi, Eunkyung; Ryu, Minjoo; Lee, Haeri; Jung, Ok-Sang","Enantiomeric two-fold interpenetrated 3D zinc(ii) coordination networks as a catalytic platform: significant difference between water within the cage and trace water in transesterification.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4595","4601","10.1039/c7dt00217c","","","0.71073","MoKα","","0.0386","0.0298","","","0.0677","0.071","","","","","","1.095","","","","has coordinates","196452","2020-10-21","18:00:00","" "7042760","16.2943","0.0003","16.7239","0.0003","10.502","0.0001","90","","90","","90","","2861.84","0.08","173","","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H28 B2 Cu F8 N4 -","- C26 H28 B2 Cu F8 N4 -","- C104 H112 B8 Cu4 F32 N16 -","4","0.5","","Kondo, Atsushi; Suzuki, Takayuki; Kotani, Ryosuke; Maeda, Kazuyuki","Liquid/Vapor-Induced Reversible Dynamic Structural Transformation of a Three-Dimensional Cu-based MOF to a One-Dimensional MOF Showing Gate Adsorption","Dalton Trans.","2017","","","","","10.1039/C7DT01126A","","","1.54187","CuKα","","0.0501","0.0441","","","0.1206","0.1262","","","","","","1.052","","","","has coordinates","195737","2020-10-21","18:00:00","" "7043093","14.007","0.003","13.557","0.003","11.661","0.003","90","","90","","90","","2214.3","0.9","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H28 Al Cl N2 O2 -","- C22 H28 Al Cl N2 O2 -","- C88 H112 Al4 Cl4 N8 O8 -","4","0.5","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mukherjee, Goutam; Rajaraman, Gopalan; Selvarajan, Nagendran","A Cationic Aluminium Complex: An Efficient Mononuclear Main-Group Catalyst for the Cyanosilylation of Carbonyl Compounds","Dalton Trans.","2017","","","","","10.1039/C7DT01760J","","","0.71073","MoKα","","0.0619","0.0572","","","0.1393","0.1425","","","","","","1.153","","","","has coordinates","196923","2020-10-21","18:00:00","" "7044260","11.0779","0.0011","22.03","0.002","11.4217","0.001","90","","90","","90","","2787.4","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H18 N4 O5 Zn -","- C27 H18 N4 O5 Zn -","- C108 H72 N16 O20 Zn4 -","4","0.5","","Liu, Zhi-Qiang; Zhao, Yue; Zhang, Xiu-Du; Kang, Yan-Shang; Lu, Qingyi; Azam, Mohammad; Al-Resayes, Saud I; Sun, Wei-Yin","Metal-organic frameworks with 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylate ligands for selectively sensing Fe(III) Ion and ketone molecules","Dalton Trans.","2017","","","","","10.1039/C7DT02981K","","","0.71073","MoKα","","0.1042","0.0655","","","0.1655","0.1872","","","","","","0.92","","","","has coordinates","201012","2020-10-21","18:00:00","" "7045052","10.8699","0.0001","24.1347","0.0002","24.7076","0.0002","90","","90","","90","","6481.84","0.1","150","","150","","","","","","","","synthesized","5","P n n a","-P 2a 2bc","52","","","","- C64 H52 N12 Ni O10 -","- C64 H52 N12 Ni O10 -","- C256 H208 N48 Ni4 O40 -","4","0.5","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.0762","0.0718","","0.2099","0.2069","0.2099","","","","","","1.069","","","","has coordinates","230077","2020-10-21","18:00:00","" "7045362","26.0789","0.0005","22.3894","0.0005","13.9388","0.0003","90","","90","","90","","8138.7","0.3","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C79 H99 Co3 N7 O25 -","- C56 H32 Co3 O16 -","- C224 H128 Co12 O64 -","4","0.5","","Wu, Zhao-Feng; Tan, Bin; Ma, Wen; Xiong, Wei-Wei; Xie, Zai-Lai; Huang, Xiao-Ying","Mg2+ incorporated Co-based MOF precursors for hierarchical CNT-containing porous carbons with ORR activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2810","2819","10.1039/c7dt04354f","","","0.71073","MoKα","","0.0739","0.0469","","","0.1143","0.1221","","","","","","1.009","","","","has coordinates","229400","2020-10-21","18:00:00","" "7045363","26.0566","0.0007","22.3986","0.0006","13.8669","0.0004","90","","90","","90","","8093.2","0.4","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C77 H96 Co2 Mg N6 O25 -","- C56 H32 Co2 Mg O16 -","- C224 H128 Co8 Mg4 O64 -","4","0.5","","Wu, Zhao-Feng; Tan, Bin; Ma, Wen; Xiong, Wei-Wei; Xie, Zai-Lai; Huang, Xiao-Ying","Mg2+ incorporated Co-based MOF precursors for hierarchical CNT-containing porous carbons with ORR activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2810","2819","10.1039/c7dt04354f","","","0.71073","MoKα","","0.0613","0.0497","","","0.1363","0.1455","","","","","","1.018","","","","has coordinates","229400","2020-10-21","18:00:00","" "7045426","14.277","0.004","16.766","0.005","11.966","0.005","90","","90","","90","","2864.3","1.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C9 H36 N15 O15 Y -","- C9 H36 N15 O15 Y -","- C36 H144 N60 O60 Y4 -","4","0.5","","Janicki, Rafał; Lindqvist-Reis, Patric","Eu(iii) and Cm(iii) tetracarbonates - in the quest for the limiting species in solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2393","2405","10.1039/c7dt04836j","","","0.71073","MoKα","","0.0842","0.0425","","","0.0875","0.0916","","","","","","1.009","","","","has coordinates","229790","2020-10-21","18:00:00","" "7045664","19.0979","0.0009","19.8019","0.0009","12.9663","0.0006","90","","90","","90","","4903.5","0.4","100","2","100","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32 H28 Ce N12 O20 Ru -","- C32 H28 Ce N12 O20 Ru -","- C128 H112 Ce4 N48 O80 Ru4 -","4","0.5","","Viere, Erin J.; Kuhn, Ashley E.; Roeder, Margaret H.; Piro, Nicholas A.; Kassel, W. Scott; Dudley, Timothy J.; Paul, Jared J.","Spectroelectrochemical studies of a ruthenium complex containing the pH sensitive 4,4'-dihydroxy-2,2'-bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4149","4161","10.1039/c7dt04554a","","","0.71073","MoKα","","0.0453","0.0346","","","0.0805","0.0877","","","","","","1.073","","","","has coordinates","301850","2025-08-21","14:34:43","" "7045736","27.431","0.003","37.714","0.004","13.8529","0.001","90","","90","","90","","14331","2","99.91","0.19","99.91","0.19","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C64 H92 Au4 S8 -","- C64 H92 Au4 S8 -","- C512 H736 Au32 S64 -","8","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.1291","0.067","","","0.1561","0.1933","","","","","","1.002","","","","has coordinates,has disorder","229740","2020-10-21","18:00:00","" "7045966","7.5462","0.0004","22.2417","0.0012","13.1833","0.0007","90","","90","","90","","2212.7","0.2","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C15 H15 Ag3 I4 N2 -","- C15 H15 Ag3 I4 N2 -","- C60 H60 Ag12 I16 N8 -","4","0.5","","Li, Xia; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Two photochromic iodoargentate hybrids with adjustable photoresponsive mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6031","6035","10.1039/c8dt00829a","","","0.71073","MoKα","","0.0386","0.0364","","","0.0929","0.0944","","","","","","1.093","","","","has coordinates","229539","2020-10-21","18:00:00","" "7046501","10.101","0.0006","40.7504","0.0015","15.1414","0.001","90","","90","","90","","6232.5","0.6","103","2","103","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C44 H43 Cl4 N14 O13 Pd2 Sm -","- C44 H32 Cl4 N8 O10 Pd2 Sm -","- C176 H128 Cl16 N32 O40 Pd8 Sm4 -","4","0.5","","You, Li-Xin; Cui, Lan-Xin; Zhao, Bai-Bei; Xiong, Gang; Ding, Fu; Ren, Bao-Yi; Shi, Zhong-Liang; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang","Tailoring the structure, pH sensitivity and catalytic performance in Suzuki-Miyaura cross-couplings of Ln/Pd MOFs based on the 1,1'-di(p-carboxybenzyl)-2,2'-diimidazole linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8755","8763","10.1039/c8dt01288a","","","1.54184","CuKα","","0.1008","0.0889","","","0.1926","0.2009","","","","","","1.177","","","","has coordinates,has disorder","229518","2020-10-21","18:00:00","" "7046502","10.1709","0.0007","40.82","0.002","15.1189","0.0012","90","","90","","90","","6277","0.7","101.98","0.18","101.98","0.18","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C44 H38 Cl4 Eu N8 O10.5 Pd2 -","- C44 H32 Cl4 Eu N8 O10 Pd2 -","- C176 H128 Cl16 Eu4 N32 O40 Pd8 -","4","0.5","","You, Li-Xin; Cui, Lan-Xin; Zhao, Bai-Bei; Xiong, Gang; Ding, Fu; Ren, Bao-Yi; Shi, Zhong-Liang; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang","Tailoring the structure, pH sensitivity and catalytic performance in Suzuki-Miyaura cross-couplings of Ln/Pd MOFs based on the 1,1'-di(p-carboxybenzyl)-2,2'-diimidazole linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8755","8763","10.1039/c8dt01288a","","x-ray","1.54184","CuKα","","0.122","0.084","","","0.1563","0.1839","","","","","","0.872","","","","has coordinates,has disorder","229518","2020-10-21","18:00:00","" "7046503","10.1189","0.0004","40.7335","0.0017","15.0742","0.001","90","","90","","90","","6213.3","0.5","102.23","0.1","102.23","0.1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C44 H46 Cl4 N8 O14.5 Pd2 Tb -","- C44 H32 Cl4 N8 O10 Pd2 Tb -","- C176 H128 Cl16 N32 O40 Pd8 Tb4 -","4","0.5","","You, Li-Xin; Cui, Lan-Xin; Zhao, Bai-Bei; Xiong, Gang; Ding, Fu; Ren, Bao-Yi; Shi, Zhong-Liang; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang","Tailoring the structure, pH sensitivity and catalytic performance in Suzuki-Miyaura cross-couplings of Ln/Pd MOFs based on the 1,1'-di(p-carboxybenzyl)-2,2'-diimidazole linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8755","8763","10.1039/c8dt01288a","","x-ray","1.54184","CuKα","","0.1558","0.0987","","","0.172","0.205","","","","","","1.046","","","","has coordinates,has disorder","229518","2020-10-21","18:00:00","" "7047351","18.1857","0.0003","30.4174","0.0005","12.6976","0.0002","90","","90","","90","","7023.8","0.2","90","","90","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C58 H108 Si10 -","- C58 H108 Si10 -","- C232 H432 Si40 -","4","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro","The selective formation of a 1,2-disilabenzene from the reaction of a disilyne with phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13318","13322","10.1039/c8dt03081b","","","0.30241","synchrotron","","0.0365","0.0348","","","0.0957","0.0973","","","","","","1.062","","","","has coordinates,has disorder","230031","2020-10-21","18:00:00","" "7049415","32.3271","0.0018","28.2199","0.0014","19.686","0.0006","90","","90","","90","","17958.9","1.4","297.99","0.1","297.99","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C42 H30 In N3 O8 -","- C40 H22 In N2 O8 -","- C320 H176 In8 N16 O64 -","8","1","","Huang, Pan; Chen, Cheng; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","An indium-organic framework for the efficient storage of light hydrocarbons and selective removal of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5527","5533","10.1039/c9dt00902g","","","1.3405","GaKα","","0.0724","0.051","","","0.1463","0.1567","","","","","","1.055","","","","has coordinates","224114","2020-10-21","18:00:00","" "7050012","7.5852","0.0011","12.1545","0.0017","22.829","0.003","90","","90","","90","","2104.7","0.5","273","2","150","1","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H22 Br2 N4 O4 Zn -","- C16 H22 Br2 N4 O4 Zn -","- C64 H88 Br8 N16 O16 Zn4 -","4","0.5","","Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming","Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide","New Journal of Chemistry","2005","29","10","1254","","10.1039/b508293e","","","0.71073","MoKα","","0.0484","0.0339","","","0.0812","0.0887","","","","","","1.039","","","","has coordinates","180054","2020-10-21","18:00:00","" "7050013","7.4152","0.0002","11.8222","0.0003","22.7057","0.0007","90","","90","","90","","1990.47","0.1","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H22 Cl2 N4 O4 Zn -","- C16 H22 Cl2 N4 O4 Zn -","- C64 H88 Cl8 N16 O16 Zn4 -","4","0.5","","Tzeng, Biing-Chiau; Chen, Bo-So; Lee, Shih-Yang; Liu, Wei-Hsin; Lee, Gene-Hsiang; Peng, Shie-Ming","Anion-directed assembly of supramolecular zinc(ii) halides with N,N′-bis-4-methyl-pyridyl oxalamide","New Journal of Chemistry","2005","29","10","1254","","10.1039/b508293e","","","0.71073","MoKα","","0.0891","0.0501","","","0.1152","0.1287","","","","","","1.103","","","","has coordinates,has disorder","180054","2020-10-21","18:00:00","" "7051770","27.3364","0.0011","15.9057","0.0006","24.5589","0.0009","90","","90","","90","","10678.3","0.7","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C116 H84 F12 N22 P2 Ru -","- C116 H84 F12 N22 P2 Ru -","- C464 H336 F48 N88 P8 Ru4 -","4","0.5","","Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.","Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core","New Journal of Chemistry","2008","32","1","73","","10.1039/b708572a","","","0.71073","MoKα","","0.0742","0.0599","","","0.1722","0.1837","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:39","" "7053620","13.571","0.003","16.443","0.005","8.265","0.004","90","","90","","90","","1844.3","1.1","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","0.5","","Aijaz, Arshad; Lama, Prem; Sañudo, E. Carolina; Mishra, Rupali; Bharadwaj, Parimal K.","Coordination polymers of various architectures built with mixed imidazole/benzimidazole and carboxylate donor ligands and different metal ions: syntheses, structural features and magnetic properties","New Journal of Chemistry","2010","34","11","2502","","10.1039/c0nj00302f","","","0.71073","MoKα","","0.0385","0.0328","","","0.0767","0.0833","","","","","","1.061","","","","has coordinates","180090","2020-10-21","18:00:00","" "7056953","7.9159","0.0004","18.3331","0.001","13.4273","0.0007","90","","90","","90","","1948.61","0.18","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C19 H20 N4 O7 Zn -","- C19 H20 N4 O7 Zn -","- C76 H80 N16 O28 Zn4 -","4","0.5","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","42","5","3619","3632","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0353","0.0278","","","0.0735","0.079","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:57","" "7058215","20.1821","0.0003","35.3003","0.0004","13.25738","0.00019","90","","90","","90","","9445","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C98 H72 N18 O29 Zn5 -","- C98 H72 N18 O29 Zn5 -","- C392 H288 N72 O116 Zn20 -","4","0.5","","Qin, Yin; Li, Yilin; Guo, Kaimeng; Tang, Huabiao; Hou, Lifen; Li, Gang","Water-assisted proton conductivity of two highly stable imidazole multi-carboxylate-based MOFs","New Journal of Chemistry","2019","43","12","4859","","10.1039/C9NJ00400A","","x-ray","1.54184","CuKα","","0.0579","0.0455","","","0.1212","0.131","","","","","","1.027","","","","has coordinates,has disorder","224995","2020-10-21","18:00:00","" "7060716","14.8749","0.0002","22.8089","0.0002","10.34","0.0001","90","","90","","90","","3508.16","0.07","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C36 H42 I2 N4 Zn -","- C36 H42 I2 N4 Zn -","- C144 H168 I8 N16 Zn4 -","4","0.5","","Caruso, Manfredi; Cametti, Massimo; Rissanen, Kari; Martí-Rujas, Javier","Selective guest inclusion of linear C6 hydrocarbons in a Zn(ii) 1D coordination polymer","New Journal of Chemistry","2021","45","28","12448","12452","10.1039/D1NJ02175C","","","0.82656","Synchrotron","","0.0941","0.0908","","","0.2627","0.2666","","","","","","1.08","","","","has coordinates","268845","2021-09-06","11:59:06","" "7061733","9.2146","0.0005","22.905","0.002","17.524","0.001","90","","90","","90","","3698.6","0.4","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30 H44 Cu F6 N4 O6 -","- C30 H44 Cu F6 N4 O6 -","- C120 H176 Cu4 F24 N16 O24 -","4","0.5","","Almada, Stephanie; Maia, Luísa B.; Waerenborgh, João C.; Vieira, Bruno J. C.; Mira, Nuno P.; R. Silva, Elisabete; Cerqueira, Fátima; Pinto, Eugénia; Alves, Luis G.","Cyclam-based iron(iii) and copper(ii) complexes: synthesis, characterization and application as antifungal agents","New Journal of Chemistry","2022","46","35","16764","16770","10.1039/D2NJ03161B","","","0.71073","MoKα","","0.1223","0.0833","","","0.2409","0.2659","","","","","","1.04","","","","has coordinates","278464","2022-10-07","01:14:04","" "7061775","9.07","0.06","15.98","0.11","12.33","0.09","90","","90","","90","","1787","2","293.15","","293.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","C8H7ClN3Ni0.5O0.5","","- C8 H7 Cl N3 Ni0.5 O0.5 -","- C8 H7 Cl N3 Ni0.5 O0.5 -","- C64 H56 Cl8 N24 Ni4 O4 -","8","1","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Debnath, Rakesh; Roy, Suvojit; Kotakonda, Muddukrishnaiah; Adak, Mrinal Kanti; Biswas, Bhaskar; Sankar Das, Hari","A hemilabile 2-(2′-pyridyl)-imidazole based nickel(ii) complex: proton-coupled-electron-transfer, bactericidal and cytotoxicity studies","New Journal of Chemistry","2022","46","36","17517","17526","10.1039/D2NJ03063B","","","0.71073","MoKα","","0.1349","0.053","","","0.1005","0.1255","","","","","","1.001","","","","has coordinates","278450","2022-10-07","01:09:07","" "7062785","8.9711","0.0017","13.666","0.003","14.756","0.003","90","","90","","90","","1809.1","0.6","210","2","210","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H16 Ce N O12 -","- C16 H9 Ce N O9 -","- C64 H36 Ce4 N4 O36 -","4","0.5","","Zhao, Peiran; Liu, Yuqian; He, Cheng; Duan, Chunying","A dual-functional 3D cerium MOF heterogeneous catalyst for catalysing Knoevenagel condensation and cyanosilylation","New Journal of Chemistry","2023","47","41","19114","19121","10.1039/D3NJ02630B","","","0.71073","MoKα","","0.0282","0.0252","","","0.0666","0.0697","","","","","","1.0642","","","","has coordinates","287374","2023-11-06","07:59:01","" "7062786","8.9732","0.0006","13.3957","0.0008","14.6655","0.0009","90","","90","","90","","1762.83","0.19","296","2","296","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H16 N O12 Tb -","- C16 H9 N O9 Tb -","- C64 H36 N4 O36 Tb4 -","4","0.5","","Zhao, Peiran; Liu, Yuqian; He, Cheng; Duan, Chunying","A dual-functional 3D cerium MOF heterogeneous catalyst for catalysing Knoevenagel condensation and cyanosilylation","New Journal of Chemistry","2023","47","41","19114","19121","10.1039/D3NJ02630B","","","0.71073","MoKα","","0.0503","0.0358","","","0.0733","0.0799","","","","","","1.0523","","","","has coordinates","287374","2023-11-06","07:59:04","" "7063692","11.604","0.0011","24.366","0.002","8.4503","0.0007","90","","90","","90","","2389.3","0.4","296.3","0.5","296.3","0.5","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- I9 K2 Na O24 -","- I9 K2 Na O24 -","- I36 K8 Na4 O96 -","4","0.5","","Lin, Min-Quan; Duan, Meng-Fan; Mao, Jiang-Gao; Yang, Bing-Ping","K2Na(I3O8)3: a promising mid-infrared birefringent material with two different structures of octaoxotriiodate(v) polyanions","New Journal of Chemistry","2025","49","15","6103","6108","10.1039/D5NJ00763A","","x-ray","0.71073","MoKα","","0.0501","0.0349","","","0.0716","0.0811","","","","","","1.049","","","","has coordinates","301066","2025-07-06","17:36:01","" "7064131","15.8568","0.0008","21.4138","0.0011","15.4243","0.001","90","","90","","90","","5237.4","0.5","296.15","","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H74 Gd N O29 V2 -","- C36 H73.3332 Gd N O28.6666 V2 -","- C144 H293.333 Gd4 N4 O114.666 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Matiukhina, Anna K.; Vasilev, Pavel N.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Novel bimetallic LnIII/VIV (Ln = Gd, Tb, Dy, Er, Yb, Lu) compounds with cyclopropane-1,1-dicarboxylate anions and bulky tetrabutylammonium cations: synthesis, structure, magnetic properties, and thermal decomposition","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03452C","","","0.71073","MoKα","","0.0617","0.0484","","","0.1063","0.1137","","","","","","1.121","","","","has coordinates,has disorder","303397","2025-11-25","15:19:27","" "7064132","15.7781","0.0012","21.2907","0.0015","15.4105","0.001","90","","90","","90","","5176.8","0.6","296.15","","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H73.33 Dy N O28.67 V2 -","- C36 H73.3332 Dy N O28.6666 V2 -","- C144 H293.333 Dy4 N4 O114.666 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Matiukhina, Anna K.; Vasilev, Pavel N.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Novel bimetallic LnIII/VIV (Ln = Gd, Tb, Dy, Er, Yb, Lu) compounds with cyclopropane-1,1-dicarboxylate anions and bulky tetrabutylammonium cations: synthesis, structure, magnetic properties, and thermal decomposition","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03452C","","","0.71073","MoKα","","0.0816","0.0537","","","0.1124","0.1275","","","","","","1.085","","","","has coordinates,has disorder","303397","2025-11-25","15:19:29","" "7064133","15.7396","0.0009","21.332","0.001","15.4082","0.0007","90","","90","","90","","5173.4","0.4","296.15","","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C36 H73.33 N O28.67 Tb V2 -","- C36 H73.3332 N O28.6666 Tb V2 -","- C144 H293.333 N4 O114.666 Tb4 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Matiukhina, Anna K.; Vasilev, Pavel N.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Novel bimetallic LnIII/VIV (Ln = Gd, Tb, Dy, Er, Yb, Lu) compounds with cyclopropane-1,1-dicarboxylate anions and bulky tetrabutylammonium cations: synthesis, structure, magnetic properties, and thermal decomposition","New Journal of Chemistry","2025","","","","","10.1039/D5NJ03452C","","","0.71073","MoKα","","0.0573","0.0506","","","0.099","0.1018","","","","","","1.192","","","","has coordinates,has disorder","303397","2025-11-25","15:19:29","" "7101869","56.792","0.011","14.331","0.003","32.17","0.006","90","","90","","90","","26183","9","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H72 Cu3 N30 O30 -","- C96 H72 Cu3 N26 O22 -","- C384 H288 Cu12 N104 O88 -","4","0.5","","Hong, Seunghee; Zou, Yang; Moon, Dohyun; Lah, Myoung Soo","An unprecedented twofold interpenetrating (3,4)-connected 3-D metal-organic framework.","Chemical communications (Cambridge, England)","2007","","17","1707","1709","10.1039/b702216f","","","0.7","synchrotron","","0.1664","0.0787","","","0.1739","0.193","","","","","","0.688","","","","has coordinates","176432","2020-10-21","18:00:00","" "7102419","21.5758","0.001","25.1163","0.0011","11.942","0.0005","90","","90","","90","","6471.4","0.5","150","1","150","1","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H39 Ag6 Cl9 N24 O18 -","- C39 H39 Ag6 Cl9 N24 O18 -","- C156 H156 Ag24 Cl36 N96 O72 -","4","0.5","","Dong, Yu-Bin; Zhao, Xia; Tang, Bo; Wang, Huai-You; Huang, Ru-Qi; Smith, Mark D; Zur Loye, Hans-Conrad","Novel organic-inorganic composite coordination polymers generated from new multidentate Schiff-base ligand and Ag(I) salts.","Chemical communications (Cambridge, England)","2004","","2","220","221","10.1039/b311510k","","","0.71073","MoKα","","0.0476","0.0405","","","0.0941","0.0983","","","","","","1.073","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00","" "7102630","29.312","0.004","15.887","0.002","16.428","0.002","90","","90","","90","","7650.2","1.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C44 H54 Cl12 Co N2 O17 -","- C44 Cl12 Co N2 O17 -","- C176 Cl48 Co4 N8 O68 -","4","0.5","","Jaume Veciana; Daniel Maspoch; Concepcio Rovira; Daniel Ruiz-Molina; Klaus Wurst","A new (63).(69.81) non-interpenetrated paramagnetic network with helical nanochannels based on a tricarboxylic perchlorotriphenylmethyl radical","Chemical communications (Cambridge, England)","2004","","10","1164","1165","10.1039/b315147f","","","0.71073","MoKα","","0.188","0.1363","","","0.3477","0.3783","","","","","","1.361","","","","has coordinates","180128","2020-10-21","18:00:00","" "7103745","8.102","0.0016","20.964","0.004","20.06","0.004","90","","90","","90","","3407.2","1.2","253","2","253","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C44 H28 Au Cl N4 O4 -","- C44 H28 Au Cl N4 O4 -","- C176 H112 Au4 Cl4 N16 O16 -","4","0.5","","Che, Chi-Ming; Sun, Raymond Wai-Yin; Yu, Wing-Yiu; Ko, Chi-Bun; Zhu, Nianyong; Sun, Hongzhe","Gold(III) porphyrins as a new class of anticancer drugs: cytotoxicity, DNA binding and induction of apoptosis in human cervix epitheloid cancer cells","Chemical Communications (Cambridge, United Kingdom)","2003","","14","1718","1719","10.1039/b303294a","","","0.71073","MoKα","","0.0645","0.0308","","","0.079","0.104","","","","","","0.934","","","","has coordinates","213973","2020-10-21","18:00:00","" "7103980","20.0363","0.0001","24.8375","0.0003","10.0921","0.0004","90","","90","","90","","5022.3","0.2","173","","173","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C20 H24 Ag B F4 N2 O7 -","- C20 H24 Ag0.5 B F4 N2 O6.5 -","- C160 H192 Ag4 B8 F32 N16 O52 -","8","1","","Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Molecular tectonics: infinite cationic double stranded helical coordination networks","Chemical Communications (Cambridge, United Kingdom)","2003","","4","472","473","10.1039/b211226b","","","0.71073","Mo-Kα","","0.145","0.067","","0.429","","0.079","","","6.042","","","1.022","","","","has coordinates","213973","2020-10-21","18:00:00","" "7104206","12.9822","0.00078","10.54179","0.00054","6.51038","0.00039","90","","90","","90","","890.98","","","","","","","","","","","","","4","P n n a","-P 2a 2bc","52","Pnna KTP","","","?","- K8 O40 P8 Ti8 -","- K8 O40 P8 Ti8 -","","","","Yashima, Masatomo; Komatsu, Takafumi","Order-disorder and displacive components in the ferroelectric-paraelectric phase transition of potassium titanyl phosphate KTiOPO4.","Chemical communications (Cambridge, England)","2009","34","9","1070","1072","10.1039/b817280c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180145","2020-10-21","18:00:00","" "7104207","12.961","0.00079","10.53218","0.00054","6.49534","0.00039","90","","90","","90","","886.66","","","","","","","","","","","","","4","P n n a","-P 2a 2bc","52","Pnna KTP","","","?","- K8 O40 P8 Ti8 -","- K8 O40 P8 Ti8 -","","","","Yashima, Masatomo; Komatsu, Takafumi","Order-disorder and displacive components in the ferroelectric-paraelectric phase transition of potassium titanyl phosphate KTiOPO4.","Chemical communications (Cambridge, England)","2009","34","9","1070","1072","10.1039/b817280c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180145","2020-10-21","18:00:00","" "7104654","16.0798","0.0014","22.7096","0.0019","38.484","0.003","90","","90","","90","","14053","2","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Yb-PVDC-2","","","- C78 H60 O18 Yb2 -","- C78 H60 O18 Yb2 -","- C312 H240 O72 Yb8 -","4","0.5","","White, Kiley A; Chengelis, Demetra A; Zeller, Matthias; Geib, Steven J; Szakos, Jessica; Petoud, Stéphane; Rosi, Nathaniel L","Near-infrared emitting ytterbium metal-organic frameworks with tunable excitation properties.","Chemical communications (Cambridge, England)","2009","34","30","4506","4508","10.1039/b909658b","","","0.71073","MoKα","","0.1046","0.0581","","","0.2103","0.2528","","","","","","1.028","","","","has coordinates,has disorder","180149","2020-10-21","18:00:00","" "7106200","11.0597","0.0008","29.913","0.002","9.2876","0.0007","90","","90","","90","","3072.6","0.4","93","2","93","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C33 H26 F6 N4 S2 -","- C33 H26 F6 N4 S2 -","- C132 H104 F24 N16 S8 -","4","0.5","","Masakazu Morimoto; Masahiro Irie","Photochemical control of dielectric properties based on intermolecular proton transfer in a hydrogen-bonded diarylethene crystal","Chem.Commun.","2011","47","","4186","","10.1039/c0cc05729k","","","0.71073","MoKα","","0.0602","0.0576","","","0.1496","0.1521","","","","","","1.102","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00","" "7106201","11.0788","0.0012","29.771","0.003","9.3271","0.001","90","","90","","90","","3076.3","0.6","93","2","93","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C33 H26 F6 N4 S2 -","- C33 H26 F6 N4 S2 -","- C132 H104 F24 N16 S8 -","4","0.5","","Masakazu Morimoto; Masahiro Irie","Photochemical control of dielectric properties based on intermolecular proton transfer in a hydrogen-bonded diarylethene crystal","Chem.Commun.","2011","47","","4186","","10.1039/c0cc05729k","","","0.71073","MoKα","","0.0721","0.0676","","","0.1717","0.1751","","","","","","1.118","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00","" "7106202","11.0607","0.001","29.907","0.003","9.2892","0.0008","90","","90","","90","","3072.8","0.5","93","2","93","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C33 H26 F6 N4 S2 -","- C33 H26 F6 N4 S2 -","- C132 H104 F24 N16 S8 -","4","0.5","","Masakazu Morimoto; Masahiro Irie","Photochemical control of dielectric properties based on intermolecular proton transfer in a hydrogen-bonded diarylethene crystal","Chem.Commun.","2011","47","","4186","","10.1039/c0cc05729k","","","0.71073","MoKα","","0.0699","0.0661","","","0.1573","0.16","","","","","","1.163","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00","" "7108210","16.3","0.002","21.497","0.003","25.42","0.003","90","","90","","90","","8907","2","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H138 N6 O7 U2 -","- C96 H138 N6 O7 U2 -","- C384 H552 N24 O28 U8 -","4","0.5","","Anna-Corina Schmidt; Alexey V. Nizovtsev; Andreas Scheurer; Frank W. Heinemann; Karsten Meyer","Uranium-Mediated Reductive Conversion of CO2 to CO and Carbonate in a Single-Vessel, Closed Synthetic Cycle","Chem.Commun.","2012","48","","8634","","10.1039/c2cc34150f","","","0.71073","MoKα","","0.0489","0.0254","","","0.0484","0.0568","","","","","","1.028","","","","has coordinates","301853","2025-08-21","21:50:08","" "7108921","26.092","0.007","15.839","0.004","17.659","0.005","90","","90","","90","","7298","3","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Cd4 N O26 Rb -","- C72 H50 Cd4 N O26 Rb -","- C288 H200 Cd16 N4 O104 Rb4 -","4","0.5","","Huabin Zhang; Ping Lin; Xiaochen Shan; Fenglei Du; Qipeng Li; Shaowu Du","An inorganic-organic composite framework with an unprecedented 3D heterometallic inorganic connectivity and white-light emission","Chemical communications (Cambridge, England)","2013","49","22","2231","2233","10.1039/c3cc38655d","","","0.71073","MoKα","","0.0896","0.0756","","","0.2211","0.2409","","","","","","1.135","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00","" "7110027","16.9124","0.0007","40.3","0.004","35.5336","0.0013","90","","90","","90","","24219","3","153","2","153","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C62 H64 Cl4 Fe N6 O5 S2 -","- C55 H40 Fe N6 S2 -","- C440 H320 Fe8 N48 S16 -","8","1","","Xiang-Yi Chen; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Temperature, light and solvent-induced spin transition in a 3D 2-fold interpenetrated PtS-type porous coordination polymer","Chem.Commun.","2013","49","","10977","","10.1039/c3cc45691a","","","1.54184","CuKα","","0.1833","0.0938","","","0.2032","0.2304","","","","","","0.976","","","","has coordinates","180214","2020-10-21","18:00:00","" "7111057","16.785","0.004","19.727","0.006","15.847","0.003","90","","90","","90","","5247","2","153","2","153","2","","","","","","","selfmade","5","P n n a","-P 2a 2bc","52","","","","- C28.5 H32.5 Cl N2 Yb0.5 -","- C28.5 H32.5 Cl N2 Yb0.5 -","- C228 H260 Cl8 N16 Yb4 -","8","1","","Abernethy, Colin D.; Macdonald, Charles L. B.; Cowley, Alan H.; Clyburne, Jason A. C.","A persistent C‒H‥C(π) T-stacked cation","Chemical Communications","2001","","1","61","","10.1039/b005450j","","","0.71073","MoKα","","0.1014","0.0403","","0.0804","0.0664","","","","1.104","1.237","1.237","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111113","39.824","0.003","15.584","0.0009","11.2915","0.0009","90","","90","","90","","7007.7","0.9","193","2","193","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C80 H72 N6 Ni O6 -","- C80 H60 N6 Ni O6 -","- C320 H240 N24 Ni4 O24 -","4","0.5","","Biradha, Kumar; Fujita, Makoto","Selective formation of rectangular grid coordination polymers with grid dimensions 10 ×15, 10 ×20 and 15 ×20 Å","Chemical Communications","2001","","1","15","","10.1039/b007014i","","","0.71073","MoKα","","0.091","0.0685","","","0.1732","0.1864","","","","","","1.056","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111743","11.1845","0.001","14.4724","0.0012","11.3596","0.001","90","","90","","90","","1838.7","0.3","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C6 H3 N3 O S4 -","- C6 H3 N3 O S4 -","- C48 H24 N24 O8 S32 -","8","1","","Winter, Stephen M.; Roberts, Ryan J.; Mailman, Aaron; Cvrkalj, Kristina; Assoud, Abdeljalil; Oakley, Richard T.","Thermal conversion of a pyridine-bridged bisdithiazolyl radical to a zwitterionic bisdithiazolopyridone","Chemical Communications","2010","46","25","4496","4498","10.1039/c0cc00775g","","","0.71073","MoKα","","0.0557","0.0375","","","0.0674","0.0747","","","","","","1.13","","","","has coordinates","180231","2020-10-21","18:00:00","" "7114874","17.656","0.004","24.275","0.006","12.263","0.003","90","","90","","90","","5256","2","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H29 Cl4 N4 O0.5 -","- C25 H28 Cl4 N4 O0.5 -","- C200 H224 Cl32 N32 O4 -","8","1","","Keegan, Jennifer; Kruger, Paul E.; Nieuwenhuyzen, Mark; O’Brien, John; Martin, Noreen","Anion directed assembly of a dinuclear double helicateElectronic supplementary information (ESI) available: Fig. S1: stereoviews showing the packing of 1 in the solid state. Fig. S2: partial 1H NMR spectra of L2 and 1 and their assignment. See http://www.rsc.org/suppdata/cc/b1/b106981k/","Chemical Communications","2001","","21","2192","","10.1039/b106981k","","","0.71073","MoKα","","0.1092","0.0662","","","0.1625","0.1878","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114950","24.8153","0.0003","16.0695","0.0003","8.6204","0.0002","90","","90","","90","","3437.55","0.11","295","2","295","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C26 H40 Cr2 Mo N2 O10 Se2 -","- C26 H40 Cr2 Mo N2 O10 Se2 -","- C104 H160 Cr8 Mo4 N8 O40 Se8 -","4","0.5","","Shieh, Minghuey; Ho, Li-Fang; Jang, Li-Fing; Ueng, Chuen-Her; Peng, Shie-Ming; Liu, Yi-Huang","First selenium-capped carbonyltrichromium complex [Se2Cr3(CO)10]2−: a novel Cr3 ring cluster","Chemical Communications","2001","","11","1014","","10.1039/b101283p","","","0.71073","MoKα","","0.0774","0.0495","","0.1697","0.1442","","","","1.098","1.167","1.167","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7115001","34.037","0.005","19.467","0.004","10.0362","0.0012","90","","90","","90","","6650","1.9","293","2","293","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C56 H46 Ag2 Cl2 N20 O9 Ru2 -","- C56 H44 Ag2 Cl2 N20 O9 Ru2 -","- C224 H176 Ag8 Cl8 N80 O36 Ru8 -","4","0.5","","Majumdar, Partha; Kamar, Kunal K.; Goswami, Sreebrata; Castiñeiras, Alfonso","Unusual binding mode of the biimidazolate bridging ligand in two novel heteropolynuclear complexes with an M2Ag2 [M = Ru(ii) or Os(ii)] core","Chemical Communications","2001","","14","1292","","10.1039/b100171j","","","1.54184","CuKα","","0.1778","0.0782","","","0.2151","0.2514","","","","","","0.876","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115073","10.02","0.001","15.1945","0.0015","13.6885","0.0013","90","","90","","90","","2084.1","0.4","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] dichloromethane solvate","","- C10.5 H9 Cl N O2 Zn0.5 -","- C10.5 H9 Cl N O2 Zn0.5 -","- C84 H72 Cl8 N8 O16 Zn4 -","8","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.0483","0.0444","","","0.1146","0.1167","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115074","9.676","0.003","15.47","0.005","13.547","0.005","90","","90","","90","","2027.8","1.2","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] methanol solvate","","- C10.5 H9.5 N O2.5 Zn0.5 -","- C10.5 H9.5 N O2.5 Zn0.5 -","- C84 H76 N8 O20 Zn4 -","8","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.1072","0.0505","","","0.1032","0.1146","","","","","","0.805","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115151","13.8843","0.0004","15.7193","0.0004","18.149","0.0006","90","","90","","90","","3961","0.2","120","2","120","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C9 H17 Ag B11 I Mo O3 -","- C9 H17 Ag B11 I Mo O3 -","- C72 H136 Ag8 B88 I8 Mo8 O24 -","8","1","","Patmore, Nathan J.; Weller, Andrew S.; Steed, Jonathan W.","Transition metal complexes of the weakly coordinating carborane anion [CB11H12]−: the first isolation and structural characterisation of an intermediate in a silver salt metathesis reaction","Chemical Communications","2000","","12","1055","","10.1039/b002585m","","","0.71073","MoKα","","0.0725","0.0563","","","0.1101","0.1145","","","","","","1.229","","","","has coordinates","180265","2020-10-21","18:00:00","" "7115694","14.6631","0.0003","22.9825","0.0004","13.3003","0.0002","90","","90","","90","","4482.13","0.14","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21.5 H19 Cl N2 O2 S -","- C21.5 H19 Cl N2 O2 S -","- C172 H152 Cl8 N16 O16 S8 -","8","1","","Wenyan Hao; Jiangbo Zeng; Mingzhong Cai","The copper(I)-catalyzed tandem reaction of o-alkynylphenyl isothiocyanates with isocyanides: a rapid synthesis of 5H-benzo[d]imidazo[5,1-b][1,3]thiazines","Chem.Commun.","2014","50","","11686","","10.1039/C4cc04057K","","","0.71073","MoKα","","0.0618","0.0528","","","0.1425","0.1486","","","","","","1.009","","","","has coordinates","301857","2025-08-21","22:47:24","" "7117571","14.7556","0.001","22.5021","0.0014","10.5208","0.0007","90","","90","","90","","3493.2","0.4","399","2","399","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C30 H28 Cl2 N4 Zn -","- C30 H28 Cl2 N4 Zn -","- C120 H112 Cl8 N16 Zn4 -","4","0.5","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.1278","0.102","","","0.3057","0.3315","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00","" "7117572","14.6608","0.0009","22.7977","0.0016","9.9218","0.0007","90","","90","","90","","3316.2","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C31 H28 Cl5 N4 Zn -","- C31 H28 Cl5 N4 Zn -","- C124 H112 Cl20 N16 Zn4 -","4","0.5","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.0793","0.076","","","0.2231","0.2268","","","","","","1.106","","","","has coordinates,has disorder","152971","2020-10-21","18:00:00","" "7117573","14.6639","0.0009","22.7525","0.0014","9.8535","0.0006","90","","90","","90","","3287.5","0.3","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C62 H60 Cl8 N8 Zn2 -","- C62 H60 Cl8 N8 Zn2 -","- C124 H120 Cl16 N16 Zn4 -","2","0.25","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.0722","0.0696","","","0.1842","0.1885","","","","","","0.97","","","","has coordinates,has disorder","152971","2020-10-21","18:00:00","" "7117574","14.7255","0.0009","22.4827","0.0015","10.2852","0.0007","90","","90","","90","","3405.1","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H28 Cl4 N4 Zn -","- C32 H28 Cl4 N4 Zn -","- C128 H112 Cl16 N16 Zn4 -","4","0.5","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.0862","0.0765","","","0.2036","0.2187","","","","","","1.053","","","","has coordinates,has disorder","152971","2020-10-21","18:00:00","" "7118335","17.8685","0.0002","23.0557","0.0002","18.5326","0.0002","90","","90","","90","","7634.89","0.14","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","7?AcOH","","- C70 H68 N4 O7 Zn2 -","- C70 H68 N4 O7 Zn2 -","- C280 H272 N16 O28 Zn8 -","4","0.5","","He, Shixiong; Wang, Fuli; Tong, Wah-Leung; Yiu, Shek-Man; Chan, Michael C. W.","Topologically diverse shape-persistent bis-(Zn-salphen) catalysts: efficient cyclic carbonate formation under mild conditions.","Chemical communications (Cambridge, England)","2016","52","5","1017","1020","10.1039/c5cc08794e","","","1.54178","CuKα","","0.0678","0.0537","","","0.1558","0.1671","","","","","","1.043","","","","has coordinates,has disorder","173528","2020-10-21","18:00:00","" "7118803","6.4553","0.0014","15.35","0.003","15.588","0.003","90","","90","","90","","1544.6","0.5","90","","90","","","","","","","","","4","P n n a","-P 2a 2bc","52","","6-methoxy-9-phenyl-3H-xanthen-3-one, HBr complex","","- C19 H13 Br O3 -","- C19 H13 Br O3 -","- C76 H52 Br4 O12 -","4","0.5","","Sezukuri, Kyohei; Suzuki, Mitsuharu; Hayashi, Hironobu; Kuzuhara, Daiki; Aratani, Naoki; Yamada, Hiroko","A laterally π-expanded fluorone dye as an efficient near infrared fluorophore.","Chemical communications (Cambridge, England)","2016","52","27","4872","4875","10.1039/c6cc00237d","","","0.71073","MoKα","","0.045","0.0279","","","0.07","0.0791","","","","","","1.05","","","","has coordinates","301857","2025-08-21","22:47:32","" "7118950","14.6162","0.0011","16.3774","0.0008","12.5927","0.0011","90","","90","","90","","3014.4","0.4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H20 Br2 Co N4 O4 -","- C28 H20 Br2 Co N4 O4 -","- C112 H80 Br8 Co4 N16 O16 -","4","0.5","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.7107","MoKα","","0.1571","0.0934","","","0.2749","0.336","","","","","","1.048","","","","has coordinates,has disorder","183716","2020-10-21","18:00:00","" "7120242","21.8487","0.0008","40.9986","0.0016","27.4044","0.001","90","","90","","90","","24547.9","1.6","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H208 Cu16 Na16 O260 W44 -","- C8 H12 Cu16 Na10 O220.8 W44 -","- C32 H48 Cu64 Na40 O883.2 W176 -","4","0.5","","Cronin, Lee; Zhan, Caihong; Busche, Christoph; Long, Deliang; Molina, Pedro I.; Winter, Ross S.","Encapsulation of a {Cu16} cluster containing four [Cu4O4] cubanes within an isopolyoxometalate {W44} cluster","Chem. Commun.","2017","","","","","10.1039/C7CC03544F","","","0.71073","MoKα","","0.1079","0.0774","","","0.1646","0.184","","","","","","1.185","","","","has coordinates","197667","2020-10-21","18:00:00","" "7120826","15.5714","0.0013","17.6017","0.0014","28.163","0.002","90","","90","","90","","7719","1","120","2","119.99","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H26 Cl2 Co N6 O4 -","- C39 H26 Cl2 Co N6 O4 -","- C312 H208 Cl16 Co8 N48 O32 -","8","1","","Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; Hawes, Chris Samuel; Savyasachi, A. J.; Blasco, Salvador; Kitchen, Jonathan A.","Supramolecular coordination polymers using a close to ‘V-shaped’ fluorescent 4-amino-1,8-naphthalimide Tröger’s base scaffold","Chem. Commun.","2017","","","","","10.1039/C7CC07333J","","","1.54178","CuKα","","0.1352","0.0862","","","0.258","0.3083","","","","","","1.045","","","","has coordinates,has disorder","202336","2020-10-21","18:00:00","" "7121088","25.456","0.004","20.581","0.003","13.704","0.002","90","","90","","90","","7179.7","1.9","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C68 H36 Cd3 N9 O18 -","- C68 H36 Cd3 N9 O18 -","- C272 H144 Cd12 N36 O72 -","4","0.5","","Wang, Jian; Liu, Yanhong; Jiang, Min; Li, Yang; Xia, Lingling; Wu, Pengyan","Aldehyde-functionalized metal-organic frameworks for selective sensing of homocysteine over Cys, GSH and other natural amino acids.","Chemical communications (Cambridge, England)","2018","54","8","1004","1007","10.1039/c7cc08414e","","","0.71075","MoKα","","0.1422","0.1099","","","0.2973","0.3314","","","","","","1.035","","","","has coordinates","228106","2020-10-21","18:00:00","" "7121979","14.4972","0.0006","14.78","0.0005","28.496","0.002","90","","90","","90","","6105.8","0.5","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C11 H12 F13 N O -","- C11 H12 F13 N O -","- C176 H192 F208 N16 O16 -","16","2","","Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo","The perfluorinated alcohols c-C6F11OH, c-C6F10-1,1-(OH)2 and c-C6F10-1-(CF3)OH.","Chemical communications (Cambridge, England)","2018","54","67","9294","9297","10.1039/c8cc05148h","","x-ray","0.71073","MoKα","","0.0847","0.0459","","","0.1041","0.1191","","","","","","1.052","","","","has coordinates","301860","2025-08-22","09:24:08","" "7122271","14.8153","0.0012","14.334","0.0012","11.4471","0.001","90","","90","","90","","2430.9","0.4","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C7 H8 Cu4 I4 N5 -","- C7 H8 Cu4 I4 N5 -","- C28 H32 Cu16 I16 N20 -","4","0.5","","Zhao, Nian; Yang, Lun; Pan, Qiyun; Han, Juanjuan; Li, Xiang; Liu, Meifeng; Xie, Bo; Wang, Yu; Wang, Xiuzhang; Zhu, Guangshan","Organic amines as templates: pore imprints with exactly size matching in a series of metal-organic frameworks","Chemical Communications","2018","","","","","10.1039/C8CC05404E","","","0.71073","MoKα","","0.0522","0.0369","","","0.1005","0.1094","","","","","","1.086","","","","has coordinates,has disorder","210242","2020-10-21","18:00:00","" "7125164","18.6528","0.0002","43.7692","0.0005","10.50646","0.00011","90","","90","","90","","8577.66","0.16","120","2","120","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C52 H58 Fe O -","- C52 H58 Fe O -","- C416 H464 Fe8 O8 -","8","1","","Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.","Chemical communications (Cambridge, England)","2017","53","5","937","940","10.1039/c6cc07243g","","x-ray","1.54184","CuKα","","0.0512","0.0456","","","0.1038","0.1067","","","","","","1.078","","","","has coordinates,has disorder","234567","2020-10-21","18:00:00","" "7125389","11.4575","0.0001","10.6962","0.0001","27.0458","0.0002","90","","90","","90","","3314.51","0.05","170.01","0.1","170.01","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H28 N4 O2 -","- C36 H28 N4 O2 -","- C144 H112 N16 O8 -","4","0.5","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54184","CuKα","","0.0431","0.0404","","","0.1154","0.1217","","","","","","1.053","","","","has coordinates","301860","2025-08-22","09:26:38","" "7128930","23.1971","0.0003","31.5985","0.0005","10.45124","0.00016","90","","90","","90","","7660.7","0.2","93","2","93","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C90 H90 N8 O4 P2 Pd4 -","- C90 H90 N8 O4 P2 Pd4 -","- C360 H360 N32 O16 P8 Pd16 -","4","0.5","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","1.54184","CuKα","","0.0655","0.056","","","0.15","0.1564","","","","","","1.111","","","","has coordinates","268367","2021-09-02","21:58:41","" "7129496","21.96","0.0004","15.2357","0.0003","18.1317","0.0004","90","","90","","90","","6066.4","0.2","100","","100","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C54 H64 I2 O8 -","- C54 H64 I2 O8 -","- C216 H256 I8 O32 -","4","0.5","","Li, Guobi; Smith, Rhett; Gembicky, Milan; Rheingold, Arnold L.; Protasiewicz, John D.","Sterically crowded 1,4-diiodobenzene as a precursor to difunctional hypervalent iodine compounds","Chemical Communications","2022","","","","","10.1039/D1CC06486J","","x-ray","0.71073","MoKα","K-L~3~","0.076","0.0385","","","0.0918","0.1196","","","","","","1.007","","","","has coordinates,has disorder","271792","2022-01-04","22:54:01","" "7154115","27.5775","0.0009","27.9449","0.001","10.4795","0.0004","90","","90","","90","","8076","0.5","173.01","0.1","173.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C23 H20 Cd Cl2 N4 -","- C23 H20 Cd Cl2 N4 -","- C276 H240 Cd12 Cl24 N48 -","12","1.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0752","0.0487","","","0.1309","0.1438","","","","","","0.975","","","","has coordinates","180327","2020-10-21","18:00:00","" "7201708","13.7786","0.0006","34.1194","0.0014","18.7021","0.0007","90","","90","","90","","8792.2","0.6","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C255 H88 Cl17 N33 Pb3 -","- C55 H88 Cl17 N33 Pb3 -","- C220 H352 Cl68 N132 Pb12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0701","0.029","","","0.0576","0.0826","","","","","","0.907","","","","has coordinates","180348","2020-10-21","18:00:00","" "7202234","8.256","0.003","14.494","0.006","13.663","0.005","90","","90","","90","","1634.9","1.1","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 Er N2 O11 -","- C14 H6 Ag3 Er N2 O11 -","- C56 H24 Ag12 Er4 N8 O44 -","4","0.5","","Zhao, B.; Zhao, X-Q.; Chen, Z.; Shi, W.; Cheng, P.; Yan, S-P.; Liao, D-Z.","Structures and near-infrared luminescence of unique 4d‒4f heterometal‒organic frameworks (HMOF)","CrystEngComm","2008","10","9","1144","","10.1039/b807491g","","","0.71073","MoKα","","0.0355","0.0281","","","0.0648","0.0689","","","","","","1.065","","","","has coordinates","180353","2020-10-21","18:00:00","" "7203198","12.632","0.003","32.034","0.006","6.2215","0.0012","90","","90","","90","","2517.6","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H32 N2 O2 S -","- C32 H32 N2 O2 S -","- C128 H128 N8 O8 S4 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1351","0.0433","","","0.0634","0.0769","","","","","","0.826","","","","has coordinates","180362","2020-10-21","18:00:00","" "7203319","19.6228","0.0008","10.4307","0.0004","12.7867","0.0005","90","","90","","90","","2617.18","0.18","123","2","123","2","","","","","","","","4","P n n a","-P 2a 2bc","52","silver(I) 2-methylimidazolate","","","- C22 H26 Ag4 N8 -","- C22 H26 Ag4 N8 -","- C88 H104 Ag16 N32 -","4","0.5","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","mokα","","0.0274","0.0249","","","0.0642","0.0656","","","","","","1.048","","","","has coordinates","180364","2020-10-21","18:00:00","" "7203445","25.359","0.002","22.2099","0.0019","12.1129","0.001","90","","90","","90","","6822.2","1","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","tetra-(3-pyridyl)ethynyl calixarene","tetra-(3-pyridyl)ethynyl calixarene","","- C82 H83 N5 O10 -","- C82 H83 N5 O10 -","- C328 H332 N20 O40 -","4","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.0638","0.0558","","","0.1338","0.1401","","","","","","1.076","","","","has coordinates","180365","2020-10-21","18:00:00","" "7203606","19.1267","0.0017","11.4655","0.0009","9.0154","0.0013","90","","90","","90","","1977.1","0.4","295","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H4 Ag Cl I N3 O4 -","- C4 H4 Ag Cl I N3 O4 -","- C32 H32 Ag8 Cl8 I8 N24 O32 -","8","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0791","0.0501","","","0.0983","0.1091","","","","","","1.052","","","","has coordinates","180367","2020-10-21","18:00:00","" "7204945","10.2793","0.0008","11.5639","0.0009","7.4822","0.0006","90","","90","","90","","889.4","0.12","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C4 H4 Co N2 O6 V2 -","- C4 H4 Co N2 O6 V2 -","- C16 H16 Co4 N8 O24 V8 -","4","0.5","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.036","0.0273","","0.0626","0.0596","","","","1.058","1.085","1.085","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7205194","18.861","0.005","16.141","0.004","13.487","0.004","90","","90","","90","","4105.9","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H24 Cu N6 O10 S -","- C14 H24 Cu N6 O10 S -","- C112 H192 Cu8 N48 O80 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0986","0.0486","","","0.119","0.1405","","","","","","1.045","","","","has coordinates","180382","2020-10-21","18:00:00","" "7205202","13.607","0.002","17.518","0.003","9.3722","0.0016","90","","90","","90","","2234","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","0.5","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0496","0.0342","","","0.0685","0.0734","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00","" "7206021","33.6784","0.0009","25.4699","0.0007","19.5175","0.0005","90","","90","","90","","16741.8","0.8","100","2","100","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C60 H72 O8 -","- C60 H68 O8 -","- C720 H816 O96 -","12","1.5","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54178","CuKα","","0.0817","0.065","","","0.1726","0.1841","","","","","","1.042","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00","" "7206474","17.7014","0.0004","11.4494","0.0003","10.9541","0.0006","90","","90","","90","","2220.07","0.14","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H28 Cu3 I4 N -","- C12 H28 Cu3 I4 N -","- C48 H112 Cu12 I16 N4 -","4","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0789","0.0388","","","0.0819","0.0946","","","","1.08","1.08","1.01","","","","has coordinates","176453","2020-10-21","18:00:00","" "7206637","17.835","0.004","12.421","0.003","19.029","0.004","90","","90","","90","","4215.5","1.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C37 H33 Ag5 N12 O14 -","- C37 H29 Ag5 N12 O14 -","- C148 H116 Ag20 N48 O56 -","4","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Tan, Jing-Bo; Pan, Mei; Fan, Jun; Zhang, Wei-Guang","An unprecedented supramolecular network with channels filled by 1D coordination polymer chains: Cocrystallization of Ag(i)-4,4′-bipyridine and Ag(i)-benzimidazole complexes","CrystEngComm","2011","13","21","6345","","10.1039/c1ce05535f","","","0.71073","MoKα","","0.1612","0.1085","","","0.3256","0.3678","","","","","","1.042","","","","has coordinates","180397","2020-10-21","18:00:00","" "7206655","32.9876","0.0014","15.2044","0.0006","15.3966","0.0006","90","","90","","90","","7722.3","0.5","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C87 H61 Cu6 N15 O2 -","- C87 H57 Cu6 N15 -","- C348 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0885","0.0492","","","0.1225","0.139","","","","","","0.985","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00","" "7207423","14.198","0.0006","21.2033","0.0006","8.7574","0.0003","90","","90","","90","","2636.37","0.16","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H22 Cl2 Cu N12 O11 -","- C12 H16 Cl2 Cu N12 O11 -","- C48 H64 Cl8 Cu4 N48 O44 -","4","0.5","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.086","0.0661","","","0.1854","0.2057","","","","","","1.072","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00","" "7207494","12.251","0.003","18.631","0.004","20.976","0.004","90","0.03","90","0.03","90","0.03","4787.7","1.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H16 In N O8 -","- C32 H16 In N O8 -","- C128 H64 In4 N4 O32 -","4","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.0829","0.0754","","","0.2198","0.2276","","","","","","1.132","","","","has coordinates","180405","2020-10-21","18:00:00","" "7208060","8.709","0.004","11.587","0.005","8.28","0.003","90","","90","","90","","835.5","0.6","120","2","120","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H8 Mg N2 O6 -","- C4 H8 Mg N2 O6 -","- C16 H32 Mg4 N8 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.0331","0.0293","","","0.0791","0.0819","","","","","","1.109","","","","has coordinates","180411","2020-10-21","18:00:00","" "7208061","8.391","0.002","11.831","0.002","8.842","0.001","90","","90","","90","","877.8","0.3","298","2","298","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mg N3 O6 -","- C4 H9 Mg N3 O6 -","- C16 H36 Mg4 N12 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.1345","0.1031","","","0.2709","0.3236","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00","" "7208511","18.6545","0.0008","21.7602","0.0009","12.6058","0.0005","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1071","0.0982","","","0.2089","0.2127","","","","","","1.195","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00","" "7208701","6.0308","0.0002","28.4845","0.0011","7.0345","0.0003","90","","90","","90","","1208.42","0.08","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 K O5 -","- C14 H9 K O5 -","- C56 H36 K4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0461","0.0343","","","0.0899","0.0946","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:30","" "7208702","6.3248","0.0002","28.4469","0.0009","7.0194","0.0002","90","","90","","90","","1262.94","0.07","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 O5 Rb -","- C14 H9 O5 Rb -","- C56 H36 O20 Rb4 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0431","0.0273","","","0.0679","0.0733","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:07:30","" "7208703","6.7477","0.0001","28.4272","0.0003","7.0986","0.0001","90","","90","","90","","1361.64","0.03","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 Cs O5 -","- C14 H9 Cs O5 -","- C56 H36 Cs4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0373","0.0291","","","0.0727","0.0762","","","","","","1.015","","","","has coordinates","301863","2025-08-22","13:07:30","" "7209162","16.95","0.003","13.32","0.003","13.85","0.003","90","","90","","90","","3127","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H20 N10 O4 S2 Zn -","- C24 H20 N10 O4 S2 Zn -","- C96 H80 N40 O16 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0631","0.0598","","","0.2037","0.2162","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00","" "7209163","17.125","0.003","13.543","0.003","13.762","0.003","90","","90","","90","","3191.7","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H20 F6 N8 S2 Zn -","- C26 H20 F6 N8 S2 Zn -","- C104 H80 F24 N32 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0869","0.0709","","","0.2327","0.2734","","","","","","1.339","","","","has coordinates","180422","2020-10-21","18:00:00","" "7210045","16.836","0.0004","21.2727","0.0004","15.8167","0.0004","90","","90","","90","","5664.7","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H18 Cu2 N10 O15 -","- C22 H18 Cu2 N10 O15 -","- C176 H144 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0569","0.0298","","","0.0593","0.0623","","","","","","0.823","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00","" "7210061","28.3641","0.0005","23.7876","0.0005","15.0216","0.0003","90","","90","","90","","10135.3","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C68 H138 Mn Mo6 N7 O30 -","- C68 H136 Mn Mo6 N7 O30 -","- C272 H544 Mn4 Mo24 N28 O120 -","4","0.5","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0673","0.0482","","","0.1211","0.1302","","","","","","1.065","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00","" "7210716","12.4702","0.0002","22.7872","0.0004","11.0779","0.0002","90","","90","","90","","3147.91","0.09","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C30 H28 N4 Ni O8 -","- C30 H28 N4 Ni O8 -","- C120 H112 N16 Ni4 O32 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0736","0.042","","","0.1109","0.1285","","","","","","1.072","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00","" "7211615","24.328","0.005","31.067","0.006","16.658","0.004","90","","90","","90","","12590","5","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C50 H60 Ag2.5 Cl2.5 N10 O15 Si2.5 -","- C50 H50 Ag2.5 Cl2.5 N10 O10.25 Si2.5 -","- C400 H400 Ag20 Cl20 N80 O82 Si20 -","8","1","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1376","0.0768","","","0.2095","0.2443","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00","" "7211637","8.909","0.002","12.33","0.003","17.476","0.004","90","","90","","90","","1919.7","0.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H3 Cu2 N O7 -","- C8 H3 Cu2 N O7 -","- C64 H24 Cu16 N8 O56 -","8","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0755","0.0581","","","0.1274","0.1351","","","","","","1.076","","","","has coordinates","180447","2020-10-21","18:00:00","" "7211768","19.543","0.009","24.565","0.005","13.837","0.003","90","","90","","90","","6643","4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H25 Cl4 Gd3 N8 O16 -","- C8 H25 Cl4 Gd3 N8 O16 -","- C64 H200 Cl32 Gd24 N64 O128 -","8","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0744","0.0553","","","0.1181","0.1271","","","","","","1.103","","","","has coordinates","180448","2020-10-21","18:00:00","" "7212352","27.353","0.004","17.844","0.003","10.6753","0.0017","90","","90","","90","","5210.5","1.4","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H46 Cu2 N2 O16 -","- C41 H46 Cu2 N2 O16 -","- C164 H184 Cu8 N8 O64 -","4","0.5","","Liang, Li-Li; Zhang, Jun; Ren, Shi-Bin; Ge, Gen-Wu; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Rational synthesis of a microporous metal‒organic framework with PtS topology using a semi-rigid tetrahedral linker","CrystEngComm","2010","12","7","2008","","10.1039/b925903a","","","0.71073","MoKα","","0.0578","0.0463","","","0.1144","0.1185","","","","","","1.094","","","","has coordinates","180454","2020-10-21","18:00:00","" "7212579","19.1014","0.0013","22.2971","0.0015","11.1094","0.0008","90","","90","","90","","4731.6","0.6","297","2","297","2","","","","","","","","6","P n n a","-P 2a 2bc","52","CF3CO2Ag-4-pyridylethynide","","","- C33 H16 Ag9 F18 N3 O14 -","- C33 H12 Ag9 F18 N3 O14 -","- C132 H48 Ag36 F72 N12 O56 -","4","0.5","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0897","0.0718","","","0.1776","0.1892","","","","","","1.071","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00","" "7212655","14.0625","0.0013","21.702","0.002","13.4908","0.0013","90","","90","","90","","4117.2","0.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C34 H36 Br4 Cu4 N8 O6 -","- C34 H36 Br4 Cu4 N8 O6 -","- C136 H144 Br16 Cu16 N32 O24 -","4","0.5","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1368","0.1028","","","0.1761","0.1897","","","","","","1.203","","","","has coordinates","180457","2020-10-21","18:00:00","" "7214595","28.764","0.004","21.682","0.003","10.933","0.0014","90","","90","","90","","6818.5","1.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C29 H34 Co3 N3 O15 -","- C23 H20 Co3 N O13 -","- C184 H160 Co24 N8 O104 -","8","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.0794","0.047","","","0.0995","0.1081","","","","","","1.036","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00","" "7214995","14.498","0.003","14.899","0.003","17.473","0.004","90","","90","","90","","3774.3","1.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","1","0.125","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0599","0.0458","","","0.1393","0.1473","","","","","","1.108","","","","has coordinates","180480","2020-10-21","18:00:00","" "7215405","7.5131","0.0007","18.2935","0.0018","18.7247","0.0018","90","","90","","90","","2573.5","0.4","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H9.5 N O7.5 P2 Zn -","- C8 H9.5 N O7.5 P2 Zn -","- C64 H76 N8 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0351","0.0288","","","0.0769","0.0805","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216412","29.157","0.003","26.193","0.002","13.1814","0.0012","90","","90","","90","","10066.8","1.6","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H61 Mn3 N2 O12 S2 -","- C39 H61 Mn3 N2 O12 S2 -","- C312 H488 Mn24 N16 O96 S16 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.0696","0.0515","","","0.1535","0.1711","","","","","","1.114","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00","" "7216571","21.904","0.006","12.9712","0.0004","6.7694","0.0002","90","","90","","90","","1923.3","0.5","120","2","120","2","","","","","","","","6","P n n a","-P 2a 2bc","52","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","","- C10 H24.6 Br2 Cu N8 O3.3 -","- C10 H20 Br2 Cu N8 O3.3 -","- C40 H80 Br8 Cu4 N32 O13.2 -","4","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0811","0.0503","","","0.1291","0.1435","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216848","8.5322","0.0017","22.025","0.008","15.088","0.003","90","","90","","90","","2835.4","1.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C64 H46 Co2 N8 O11 -","- C64 H44 Co2 N8 O11 -","- C128 H88 Co4 N16 O22 -","2","0.25","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1238","0.1162","","","0.2665","0.2721","","","","","","1.237","","","","has coordinates","180499","2020-10-21","18:00:00","" "7217809","21.2969","0.0015","26.3582","0.0019","8.7744","0.0006","90","","90","","90","","4925.5","0.6","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C160 H168 Br8 Cd8 N32 O32 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0708","0.0438","","","0.1058","0.1146","","","","","","1.009","","","","has coordinates","180509","2020-10-21","18:00:00","" "7217811","8.7933","0.0007","17.7457","0.0016","14.8568","0.0012","90","","90","","90","","2318.3","0.3","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C80 H84 Br4 Cd4 N16 O16 -","4","0.5","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0498","0.029","","","0.063","0.0706","","","","","","1.005","","","","has coordinates","180509","2020-10-21","18:00:00","" "7218890","12.996","0.003","16.994","0.003","10.668","0.002","90","","90","","90","","2356.1","0.8","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0862","0.0804","","","0.1454","0.149","","","","","","1.028","","","","has coordinates","180519","2020-10-21","18:00:00","" "7218892","13.2835","0.0004","17.3692","0.0006","10.6116","0.0003","90","","90","","90","","2448.35","0.13","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C112 H88 Cd4 N16 O16 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0472","0.0284","","","0.0618","0.0707","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00","" "7219068","11.5514","0.001","8.5414","0.0008","18.5063","0.0017","90","","90","","90","","1825.9","0.3","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H18 Cu N4 O4 -","- C18 H18 Cu N4 O4 -","- C72 H72 Cu4 N16 O16 -","4","0.5","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0631","0.0382","","","0.115","0.1594","","","","","","1.077","","","","has coordinates","180521","2020-10-21","18:00:00","" "7219447","23.984","0.005","13.122","0.003","11.917","0.002","90","","90","","90","","3750.5","1.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C34 H34 Cd2 N12 O6 -","- C34 H34 Cd2 N12 O6 -","- C136 H136 Cd8 N48 O24 -","4","0.5","","Wang, Dongmei; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Luminescent MOF Material based on Cadmium(II) and Mixed Ligands: Application for Sensing Volatile Organic Solvent Molecules","RSC Adv.","2015","","","","","10.1039/C4RA16599C","","","0.71073","MoKα","","0.064","0.0401","","","0.0844","0.0919","","","","","","1.041","","","","has coordinates","180525","2020-10-21","18:00:00","" "7221582","9.4744","0.0004","17.5789","0.0008","14.41","0.0007","90","","90","","90","","2399.98","0.19","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H22 Cd N6 O8 S -","- C20 H22 Cd N6 O8 S -","- C80 H88 Cd4 N24 O32 S4 -","4","0.5","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.053","0.0443","","","0.1429","0.1556","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "7221770","32.47","0.001","22.115","0.001","20.273","0.001","90","","90","","90","","14557.5","1.1","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C114 H144 Cu9 N20 O79 -","- C84 H44 Cu9 N12 O56 -","- C336 H176 Cu36 N48 O224 -","4","0.5","","Zhang, Na; Zhang, Jian-Yong; Jia, qin xiang; Deng, Wei; Gao, En-Qing","Solvent-controlled Structural Diversity Observed in Three Cu(II) MOFs with 2,2'-dinitro-biphenyl-4,4'-dicarboxylate Ligand: Synthesis, Structures and Magnetism","RSC Adv.","2015","","","","","10.1039/C5RA10459A","","","0.71073","MoKα","","0.1102","0.0663","","","0.1718","0.1827","","","","","","1.194","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "7222263","18.134","0.002","13.8355","0.0016","9.3325","0.001","90","","90","","90","","2341.5","0.5","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H20 Co F4 N4 O5 -","- C20 H20 Co F4 N4 O5 -","- C80 H80 Co4 F16 N16 O20 -","4","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.068","0.0382","","","0.0714","0.0811","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00","" "7222469","14.481","0.004","25.238","0.007","7.5208","0.0019","90","","90","","90","","2748.6","1.3","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H9 Cd N O7 -","- C14 H9 Cd N O7 -","- C112 H72 Cd8 N8 O56 -","8","1","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0279","0.0234","","","0.0633","0.0678","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00","" "7222472","14.5661","0.001","25.0223","0.0017","7.4491","0.0006","90","","90","","90","","2715","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H9 Mn N O7 -","- C14 H9 Mn N O7 -","- C112 H72 Mn8 N8 O56 -","8","1","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0577","0.0412","","","0.0975","0.112","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00","" "7223266","11.579","0.002","25.062","0.005","31.421","0.006","90","","90","","90","","9118","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C69 H124 N16 Ni2 O26 -","- C57 H76 N12 Ni2 O12 -","- C228 H304 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0757","0.0704","","","0.1926","0.1963","","","","","","1.164","","","","has coordinates","185168","2020-10-21","18:00:00","" "7223267","11.7659","0.0007","25.7333","0.0015","31.1417","0.0019","90","","90","","90","","9428.9","1","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C71 H126 N16 Ni2 O25 -","- C59 H80 N12 Ni2 O12 -","- C236 H320 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1565","0.0655","","","0.1803","0.197","","","","","","1.039","","","","has coordinates","185168","2020-10-21","18:00:00","" "7223268","11.817","0.002","24.76","0.005","32.256","0.007","90","","90","","90","","9438","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C61 H124 N12 Ni2 O32 -","- C61 H84 N12 Ni2 O12 -","- C244 H336 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1482","0.1202","","","0.3256","0.3528","","","","","","0.962","","","","has coordinates","185168","2020-10-21","18:00:00","" "7223269","12.0122","0.0008","25.023","0.0018","31.873","0.003","90","","90","","90","","9580.4","1.3","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C63 H124 N12 Ni2 O30 -","- C63 H88 N12 Ni2 O12 -","- C252 H352 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.129","0.0794","","","0.2384","0.2592","","","","","","0.997","","","","has coordinates","185168","2020-10-21","18:00:00","" "7223930","12.6905","0.0004","29.8425","0.0013","12.0229","0.0005","90","","90","","90","","4553.3","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C48 H66 N2 O2 Zr -","- C48 H66 N2 O2 Zr -","- C192 H264 N8 O8 Zr4 -","4","0.5","","Zhang, Yu; Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi","Intramolecular hydroamination reactions catalyzed by zirconium complexes bearing bridged bis(phenolato) ligands","RSC Adv.","2016","","","","","10.1039/C5RA23270H","","","0.71073","MoKα","","0.1392","0.096","","","0.1831","0.1934","","","","","","1.102","","","","has coordinates","174569","2020-10-21","18:00:00","" "7224027","15.2508","0.001","23.2887","0.0016","12.9853","0.0008","90","","90","","90","","4612","0.5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine][salicylaldehydo]copper(II) perchlorate dimer methanol solvate","","- C49 H42 Cl2 Cu2 N8 O15 -","- C49 H42 Cl2 Cu2 N8 O15 -","- C196 H168 Cl8 Cu8 N32 O60 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0619","0.0399","","","0.0959","0.1077","","","","","","1.033","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00","" "7224279","21.638","0.005","20.983","0.005","12.364","0.005","90","","90","","90","","5614","3","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O5 -","- C26 H18 Co N4 O5 -","- C208 H144 Co8 N32 O40 -","8","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0843","0.0569","","","0.15","0.1727","","","","","","1.019","","","","has coordinates","185287","2020-10-21","18:00:00","" "7225646","13.846","0.003","16.556","0.003","8.239","0.0016","90","","90","","90","","1888.7","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.0419","0.0318","","","0.0816","0.0865","","","","","","1.06","","","","has coordinates","185673","2020-10-21","18:00:00","" "7226764","11.7568","0.0009","15.0687","0.001","11.1422","0.0007","90","","90","","90","","1973.9","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C88 H72 Fe4 N8 O20 Zn4 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","1.54184","CuKα","","0.031","0.0277","","","0.0785","0.081","","","","","","1.061","","","","has coordinates","191568","2020-10-21","18:00:00","" "7226765","12.016","0.002","14.441","0.002","11.1347","0.0015","90","","90","","90","","1932.1","0.5","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C88 H72 Cu4 Fe4 N8 O20 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","0.71073","MoKα","","0.0666","0.0467","","","0.1227","0.1416","","","","","","1.073","","","","has coordinates","191568","2020-10-21","18:00:00","" "7227134","12.396","0.003","13.262","0.003","15.772","0.003","90","","90","","90","","2592.8","1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C72 H56 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2084","0.0753","","","0.1912","0.2263","","","","","","0.859","","","","has coordinates","191577","2020-10-21","18:00:00","" "7227136","12.471","0.003","13.306","0.003","15.711","0.003","90","","90","","90","","2607.1","1","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H14 I0.1 N2 O4 Zn -","- C18 H14 I0.1 N2 O4 Zn -","- C72 H56 I0.4 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2318","0.0894","","","0.1491","0.2079","","","","","","1.051","","","","has coordinates","191577","2020-10-21","18:00:00","" "7227351","12.2945","0.0006","18.6277","0.0008","11.5504","0.0006","90","","90","","90","","2645.3","0.2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","1f","","- C27 H28 Ag Cl N4 O6 -","- C27 H28 Ag Cl N4 O6 -","- C108 H112 Ag4 Cl4 N16 O24 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0659","0.062","","","0.1788","0.1849","","","","","","1.08","","","","has coordinates","193763","2020-10-21","18:00:00","" "7227477","14.4266","0.0005","16.319","0.0006","27.6414","0.0011","90","","90","","90","","6507.6","0.4","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C148 H104 Ag2 B6 F16 N20 O9 -","- C148 H96 Ag2 B6 F16 N20 O9 -","- C296 H192 Ag4 B12 F32 N40 O18 -","2","0.25","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1281","0.0635","","","0.1782","0.2147","","","","","","1.054","","","","has coordinates","193757","2020-10-21","18:00:00","" "7227593","25.3124","0.0012","29.7294","0.0014","9.5415","0.0004","90","","90","","90","","7180.2","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C288 H200 Br24 La8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0687","0.0349","","","0.0716","0.0829","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:17:12","" "7227597","25.242","0.005","29.691","0.006","9.5673","0.0018","90","","90","","90","","7170","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H46 Br6 Ce2 N6 O14 -","- C72 H46 Br6 Ce2 N6 O14 -","- C288 H184 Br24 Ce8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0968","0.0416","","","0.0876","0.1052","","","","","","1.005","","","","has coordinates","193755","2020-10-21","18:00:00","" "7227600","25.0965","0.0017","29.647","0.002","9.605","0.0007","90","","90","","90","","7146.5","0.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H47 Br6 N6 Nd2 O14 -","- C72 H47 Br6 N6 Nd2 O14 -","- C288 H188 Br24 N24 Nd8 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0562","0.0364","","","0.0785","0.0858","","","","","","1.118","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00","" "7227601","25.1741","0.0016","29.6104","0.0019","9.5656","0.0006","90","","90","","90","","7130.3","0.8","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C288 H200 Br24 N24 O56 Pr8 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid–terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0651","0.0454","","","0.1125","0.1223","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:17:12","" "7228588","8.187","0.005","15.276","0.01","17.425","0.011","90","","90","","90","","2179","2","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1736","0.0954","","","0.1719","0.2069","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:15","" "7228857","30.23","0.006","27.415","0.005","26.578","0.005","90","","90","","90","","22027","7","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","1Cu","","","- C70 H68 Cu4 N4 O20 -","- C70 H68 Cu4 N4 O20 -","- C560 H544 Cu32 N32 O160 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.1758","0.1137","","","0.3257","0.3668","","","","","","1.112","","","","has coordinates","199540","2020-10-21","18:00:00","" "7230242","24.343","0.003","15.987","0.004","17.571","0.005","90","","90","","90","","6838","3","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C72 H98 Br2 N2 O4 -","- C56 H66 Br2 N2 -","- C224 H264 Br8 N8 -","4","0.5","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1862","0.1047","","","0.2801","0.3288","","","","","","1.043","","","","has coordinates","206757","2020-10-21","18:00:00","" "7231702","21.9138","0.0009","8.3002","0.0003","11.1021","0.0004","90","","90","","90","","2019.35","0.13","130","2","130","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H14 Bi Br2 Cl5 N2 -","- C12 H14 Bi Br2 Cl5 N2 -","- C48 H56 Bi4 Br8 Cl20 N8 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0329","0.0249","","","0.0495","0.0522","","","","","","1.05","","","","has coordinates","229047","2020-10-21","18:00:00","" "7231840","10.8226","0.0004","23.0562","0.0008","10.5332","0.0003","90","","90","","90","","2628.33","0.15","100","2","100.01","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H19 Cl2 N5 O4 Zn -","- C28 H19 Cl2 N5 O4 Zn -","- C112 H76 Cl8 N20 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.0425","0.0351","","","0.0772","0.0794","","","","","","1.198","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00","" "7231976","24.506","0.005","8.0284","0.0016","4.7044","0.0009","90","","90","","90","","925.6","0.3","153","2","153.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H2 K2 N8 O5 -","- C2 H2 K2 N8 O5 -","- C8 H8 K8 N32 O20 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.036","0.0356","","","0.0881","0.0884","","","","","","1.166","","","","has coordinates","223583","2020-10-21","18:00:00","" "7232817","13.1863","0.0005","17.4063","0.0007","9.3405","0.0004","90","","90","","90","","2143.88","0.15","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0305","0.0266","","","0.0687","0.0708","","","","","","1.059","","","","has coordinates","223613","2020-10-21","18:00:00","" "7234781","17.2246","0.0006","23.0205","0.0009","22.831","0.0008","90","","90","","90","","9052.9","0.6","300","2","300","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C18 H28 Co N10 -","- C18 H10.5 Co N10 -","- C288 H168 Co16 N160 -","16","2","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.137","0.0747","","","0.2068","0.2717","","","","","","1.036","","","","has coordinates","220096","2020-10-21","18:00:00","" "7234785","17.1299","0.0005","22.9364","0.0006","22.6975","0.0006","90","","90","","90","","8917.8","0.4","300","2","300","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C18 H28 N10 Ni -","- C18 H17.5 N10 Ni -","- C288 H280 N160 Ni16 -","16","2","","J. M. Bermudez-Garcia; M. Sanchez-Andujar; S. Yanez-Vilar; S. Castro-Garcia; R. Artiaga; J. Lopez-Beceiro; L. Botana; A. Alegria; M. A. Senaris-Rodriguez","Multiple phase and dielectric transitions on a novel multi-sensitive [TPrA][M(dca)3] (M: Fe2+, Co2+ and Ni2+) hybrid inorganic-organic perovskite family","Journal of Materials Chemistry C","2016","4","","4889","4898","10.1039/C6TC00723F","","","0.71073","MoKα","","0.1075","0.0671","","","0.1814","0.2257","","","","","","1.042","","","","has coordinates","220100","2020-10-21","18:00:00","" "7236080","21.035","0.004","16.064","0.003","29.891","0.006","90","","90","","90","","10100","3","100","2","100.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","TMU-19","","- C21 H16 N3 O5 Zn -","- C21 H16 N3 O5 Zn -","- C168 H128 N24 O40 Zn8 -","8","1","","Tehrani, Alireza Azhdari; Abedi, Sedigheh; Morsali, Ali; Wang, Jun; Junk, Peter C.","Urea-containing metal-organic frameworks as heterogeneous organocatalysts","Journal of Materials Chemistry A","2015","3","40","20408","","10.1039/C5TA03835A","","","0.71073","MoKα","","0.0903","0.0786","","","0.2428","0.2532","","","","","","1.103","","","","has coordinates,has disorder","233907","2020-10-21","18:00:00","" "7236557","12.2298","0.0018","25.203","0.003","20.219","0.002","90","","90","","90","","6232.1","1.3","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H16 In N4 O8 -","- C28 H16 In N4 O8 -","- C112 H64 In4 N16 O32 -","4","0.5","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.0833","0.049","","","0.1161","0.1242","","","","","","0.928","","","","has coordinates","236303","2020-10-21","18:00:00","" "7237142","28.6596","0.0007","27.8917","0.0008","9.55","0.0003","90","","90","","90","","7633.9","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C54 H42 N15 O5 Zn2 -","- C54 H42 N15 O5 Zn2 -","- C216 H168 N60 O20 Zn8 -","4","0.5","","Fu, Hong-Ru; Yan, Li-Bing; Wu, Nai-Teng; Ma, Lu-Fang; Zang, Shuang-Quan","Dual-emission MOF⊃dye sensor for ratiometric fluorescence recognition of RDX and detection of a broad class of nitro-compounds","Journal of Materials Chemistry A","2018","6","19","9183","","10.1039/C8TA02857E","","","0.71073","MoKα","","0.1015","0.084","","","0.2605","0.2745","","","","","","1.06","","","","has coordinates","237447","2020-10-21","18:00:00","" "7238750","15.7091","0.0007","21.6243","0.0009","13.2974","0.0005","90","","90","","90","","4517.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C36 H50 Ca O19 Zn2 -","- C36 H50 Ca O19 Zn2 -","- C144 H200 Ca4 O76 Zn8 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0778","0.0539","","","0.1415","0.1596","","","","","","1.034","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00","" "7238751","16.0781","0.0005","21.0471","0.0006","12.8084","0.0004","90","","90","","90","","4334.3","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H48 O18 Zn3 -","- C36 H48 O18 Zn3 -","- C144 H192 O72 Zn12 -","4","0.5","","Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi","Fluorescent Zn-based hetero-MOFs design via single metal site substitution","RSC Advances","2012","2","31","11650","","10.1039/c2ra21863a","","","0.71073","MoKα","","0.0696","0.0577","","","0.1454","0.1547","","","","","","1.088","","","","has coordinates,has disorder","244329","2020-10-21","18:00:00","" "7239288","14.6107","0.0004","24.5125","0.0007","11.319","0.0003","90","","90","","90","","4053.84","0.19","296","2","296","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3.5 -","- C192 H192 N16 O28 -","8","1","","Manna, Susanta Kumar; Mondal, Suresh Kumar; Ahmed, Atiur; Mandal, Arabinda; Jana, Atanu; Ikbal, Mohammed; Samanta, Shubhankar; Ray, Jayanta K.","One-pot synthesis of highly fluorescent polycyclic benzimidazole derivatives","RSC Adv.","2014","4","5","2474","","10.1039/C3RA44521F","","","0.71073","MoKα","","0.0805","0.0495","","","0.1576","0.1829","","","","","","1.265","","","","has coordinates","244637","2020-10-21","18:00:00","" "7239911","9.1964","0.0018","13.197","0.003","14.447","0.003","90","","90","","90","","1753.4","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Gd O12 -","- C16 H13 Gd O12 -","- C64 H52 Gd4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.024","0.0233","","","0.053","0.0534","","","","","","1.135","","","","has coordinates","258134","2020-10-21","18:00:00","" "7239912","9.2104","0.0018","13.203","0.003","14.465","0.003","90","","90","","90","","1759","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 Eu O12 -","- C16 H13 Eu O12 -","- C64 H52 Eu4 O48 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0244","0.0239","","","0.0529","0.0531","","","","","","1.138","","","","has coordinates","258134","2020-10-21","18:00:00","" "7239913","9.1988","0.0018","13.161","0.003","14.406","0.003","90","","90","","90","","1744.1","0.6","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C16 H13 O12 Tb -","- C16 H13 O12 Tb -","- C64 H52 O48 Tb4 -","4","0.5","","Wang, Xue-Ting; Wei, Wei; Zhang, Kai; Du, Shao-Wu","A stable LnMOF as a highly efficient and selective luminescent sensor for detecting malachite green in water and real samples","RSC Advances","2020","10","11","6129","6134","10.1039/C9RA10870J","","","0.71073","MoKα","","0.0299","0.0293","","","0.073","0.0736","","","","","","1.106","","","","has coordinates","258134","2020-10-21","18:00:00","" "7240382","24.0649","0.0006","30.3771","0.0007","18.2553","0.0005","90","","90","","90","","13345","0.6","293","2","296","","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C60 H96 Co3 F20 N30 O90 V2 W18 -","- C60 H40 Co3 F20 N30 O64 V2 W18 -","- C240 H160 Co12 F80 N120 O256 V8 W72 -","4","0.5","","Shen, Nan; Feng, Tian; Chang, Jun; Huang, Kunlin; Zhang, Zhi-Hui; Feng, Xuejun; Gu, Jiande; Chen, Sheng-Chun; He, Mingyang; Chen, Qun","An unprecedented cobalt(II)-containing Wells-Dawson-type tungstovanadate-based metal-organic framework as efficient catalyst for ring-opening polymerization of -caprolactone","CrystEngComm","2020","","","","","10.1039/D0CE00309C","","","0.71073","MoKα","","0.0782","0.0607","","","0.1607","0.1784","","","","","","1.02","","","","has coordinates","251113","2020-10-21","18:00:00","" "7241049","17.4287","0.00048","15.29046","0.00051","13.21952","0.0005","90","","90","","90","","3522.9","0.2","","","298","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","CAU-50","- C36 Fe3 O12 Sc2 -","- C36 Fe3 O12 Sc2 -","- C144 Fe12 O48 Sc8 -","4","0.5","","Benecke, Jannick; Svensson Grape, Erik; Engesser, Tobias; Inge, Andrew Ken; Reinsch, Helge","Observation of Three Different Linker Conformers in a Scandium Ferrocenedicarboxylate Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00986E","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","255279","2020-10-21","18:00:00","" "7241198","25.1315","0.0006","11.8428","0.0003","15.9866","0.0003","90","","90","","90","","4758.05","0.19","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 N2 O4 Zn -","- C20 H20 N2 O4 Zn -","- C160 H160 N16 O32 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0697","0.0617","","","0.1989","0.2106","","","","","","1.059","","","","has coordinates","256289","2020-10-21","18:00:00","" "7242694","24.2206","0.001","18.2735","0.001","17.7634","0.0008","90","","90","","90","","7862","0.6","293","2","293.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H24 Cu2 N2 O10 -","- C28 H24 Cu2 N2 O10 -","- C224 H192 Cu16 N16 O80 -","8","1","","Li, Anqi; Ma, Xiaofan; Ma, Jie; Yuan, Qingyi; Zhang, Jun; Xuan, Xiaopeng","A self-made portable separation device based on 2-D MOF nanosheets for the efficient separation of dyes in solutions","CrystEngComm","2021","23","22","3989","3994","10.1039/D1CE00251A","","x-ray","1.54184","CuKα","","0.1148","0.0851","","","0.1985","0.2118","","","","","","0.968","","","","has coordinates,has disorder","267113","2021-07-05","17:08:19","" "7243623","27.0123","0.0016","21.1322","0.0011","11.5913","0.0006","90","","90","","90","","6616.7","0.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H30 Eu N2 O19.5 -","- C28 H15 Eu N2 O12 -","- C224 H120 Eu8 N16 O96 -","8","1","","Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei","The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution","CrystEngComm","2021","23","43","7581","7589","10.1039/D1CE01192H","","","0.71073","MoKα","","0.0401","0.0266","","","0.0571","0.0628","","","","","","1.041","","","","has coordinates","271164","2021-12-07","03:02:46","" "7243957","11.3429","0.001","12.4311","0.001","18.5115","0.0014","90","","90","","90","","2610.2","0.4","150","","150","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H32 N3.33 O6.67 Zn -","- C21 H20 N2 O4 Zn -","- C84 H80 N8 O16 Zn4 -","4","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0758","0.0501","","","0.1293","0.1502","","","","","","1.053","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46","" "7244007","23.977","0.011","12.069","0.005","8.344","0.004","90","","90","","90","","2414.6","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H24 Co Fe N2 O6 -","- C24 H24 Co Fe N2 O6 -","- C96 H96 Co4 Fe4 N8 O24 -","4","0.5","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.0912","0.0605","","","0.1042","0.1181","","","","","","1.141","","","","has coordinates","271117","2021-12-05","01:09:28","" "7244117","24.4715","0.0007","8.9399","0.0003","9.9133","0.0003","90","","90","","90","","2168.76","0.12","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C88 H80 Cd4 N16 O20 -","4","0.5","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0456","0.0289","","","0.0613","0.0662","","","","","","1.092","","","","has coordinates","271657","2022-01-01","00:11:11","" "7245380","18.1857","0.0003","30.4174","0.0005","12.6976","0.0002","90","","90","","90","","7023.8","0.2","90","","90","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C58 H108 Si10 -","- C58 H108 Si10 -","- C232 H432 Si40 -","4","0.5","","Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro","Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03068C","","","0.30241","synchrotron","","0.0794","0.0276","","","","0.0478","","","","","","3.178","","","","has coordinates","277400","2022-08-25","00:48:51","" "7245381","18.2272","0.001","30.5096","0.0016","12.6275","0.0007","90","","90","","90","","7022.2","0.7","90","","90","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H108 Ge2 Si8 -","- C58 H108 Ge2 Si8 -","- C232 H432 Ge8 Si32 -","4","0.5","","Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro","Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03068C","","","0.31979","Synchrotron","","0.0483","0.0162","","","","0.0345","","","","","","1.0041","","","","has coordinates","277400","2022-08-25","00:48:51","" "7245477","22.8351","0.0004","15.4202","0.0003","9.6337","0.0002","90","","90","","90","","3392.24","0.11","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C38 H26 N4 O10 Zn2 -","- C38 H26 N4 O10 Zn2 -","- C152 H104 N16 O40 Zn8 -","4","0.5","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0452","0.0277","","","0.0616","0.0688","","","","","","1.036","","","","has coordinates","277817","2022-09-13","22:33:42","" "7249921","14.6449","0.0017","16.654","0.003","14.6352","0.0015","90","","90","","90","","3569.5","0.8","120","0.11","120","","","","","","","","","6","P n n a","-P 2a 2bc","52","ZRFSIX-21-Cu-Beta","","","- C20 H22 Cu F6 N6 Zr -","- C20 H22 Cu F5.998 N6 Zr -","- C80 H88 Cu4 F23.992 N24 Zr4 -","4","0.5","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.1729","0.1131","","","0.2864","0.3335","","","","","","1.094","","","","has coordinates,has disorder","298870","2025-04-05","02:43:31","" "7250368","7.1705","0.0006","13.2915","0.0012","11.4194","0.0009","90","","90","","90","","1088.35","0.16","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H8 Ag N3 O3 -","- C10 H8 Ag N3 O3 -","- C40 H32 Ag4 N12 O12 -","4","0.5","","Dar, Rouf Ali; Hashmi, Athar Adil","Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers","CrystEngComm","2025","27","24","4090","4101","10.1039/D4CE01242A","","","0.71073","MoKα","","0.1153","0.0546","","","0.0925","0.1094","","","","","","1.147","","","","has coordinates","300677","2025-07-06","14:54:37","" "7250937","12.8121","0.0002","15.663","0.0002","20.3134","0.0004","90","","90","","90","","4076.41","0.11","298","1","298","1","","","","","","","","5","P n n a","-P 2a 2bc","52","ESRF-1","catena-[(m4-5,10,15,20-tetrakis(4-Pyridyl)porphyrin-N,N',N'',N''')-bis(chloro)-cadmium(ii)]","","- C40 H26 Cd Cl2 N8 -","- C40 H26 Cd Cl2 N8 -","- C160 H104 Cd4 Cl8 N32 -","4","0.5","","Ernst, Michelle; Poręba, Tomasz","Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration","CrystEngComm","2025","27","43","7032","7037","10.1039/D5CE00815H","","x-ray","0.40988","synchrotron","","0.0739","0.0675","","","0.2276","0.2327","","","","","","1.129","","","","has coordinates,has disorder","303685","2025-11-29","19:07:52","" "7251203","8.62011","0.00014","35.5418","0.0005","8.7191","0.00012","90","","90","","90","","2671.31","0.07","100","0.1","100","0.1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H3 As F15 N O Xe -","- C4 H3 As F15 N O Xe -","- C32 H24 As8 F120 N8 O8 Xe8 -","8","1","","Uran, Erik; Lozinšek, Matic","Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides","CrystEngComm","2025","","","","","10.1039/D5CE00956A","","x-ray","0.56087","AgKα","","0.0309","0.0264","","","0.0641","0.0662","","","","","","1.137","","","","has coordinates","303172","2025-11-05","00:31:45","" "7701417","13.5668","0.0006","12.9364","0.0006","9.2522","0.0004","90","","90","","90","","1623.81","0.13","295","0.2","295","0.2","","","","","","","","5","P n n a","-P 2a 2bc","52","","{[Co(dca)2(NH2pyz)2].H2O}n","","- C12 H12 Co N12 O -","- C12 H12 Co N12 O -","- C48 H48 Co4 N48 O4 -","4","0.5","","Palion-Gazda, Joanna; Choroba, Katarzyna; Machura, Barbara; Świtlicka, Anna; Kruszyński, Rafał; Cano, Joan; Lloret, Francesc; Julve, Miguel","Influence of the pyrazine substituent on the structure and magnetic properties of dicyanamide-bridged cobalt(II) complexes","Dalton Transactions","2019","","","","","10.1039/C9DT02976A","","","0.71073","MoKα","","0.0386","0.0293","","","0.0742","0.0789","","","","","","1.03","","","","has coordinates","219473","2020-10-21","18:00:00","" "7701535","16.1207","0.0019","42.286","0.005","15.3893","0.0018","90","","90","","90","","10491","2","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C72 H114 Co4 N40 O45 -","- C72 H114 Co4 N40 O45 -","- C288 H456 Co16 N160 O180 -","4","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang","Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10526","10536","10.1039/c9dt01391a","","","0.71073","MoKα","","0.0934","0.0707","","","0.1636","0.1707","","","","","","1.149","","","","has coordinates","301878","2025-08-22","23:10:55","" "7703381","10.71","0.002","17.59","0.004","11.29","0.002","90","","90","","90","","2126.9","0.7","263","2","263","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","NibpyfcdHp","","- C21 H22 Fe N2 Ni O5 P2 -","- C21 H22 Fe N2 Ni O5 P2 -","- C84 H88 Fe4 N8 Ni4 O20 P8 -","4","0.5","","Khrizanforova, Vera; Shekurov, Ruslan; Miluykov, Vasily; Khrizanforov, Mikhail; Bon, Volodymyr; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","3D Ni and Co redox-active metal-organic frameworks based on ferrocenyl diphosphinate and 4,4'-bipyridine ligands as efficient electrocatalysts for the hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2794","2802","10.1039/c9dt04834k","","","0.88556","synchrotron","","0.0542","0.0426","","","0.1078","0.123","","","","","","1.234","","","","has coordinates,has disorder","248980","2020-10-21","18:00:00","" "7704374","23.599","0.005","37.492","0.007","19.73","0.004","90","","90","","90","","17457","6","193","2","193","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C208 H148 Cl4 Cu0 N4 O2 P8 Pt4 -","- C208 H148 Cl4 N4 O2 P8 Pt4 -","- C832 H592 Cl16 N16 O8 P32 Pt16 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.72","synchrotron","","0.0685","0.0627","","","0.1729","0.1762","","","","","","1.077","","","","has coordinates","253861","2020-10-21","18:00:00","" "7704577","10.613","0.001","10.2771","0.001","12.5111","0.0012","90","","90","","90","","1364.6","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C10 H8 Ag F6 N4 P -","- C10 H8 Ag F6 N4 P -","- C40 H32 Ag4 F24 N16 P4 -","4","0.5","","Maity, Suvendu; Naskar, Kaushik; Bhowmik, Tanmay; Bera, Amalendu; Weyhermüller, Thomas; Sinha, Chittaranjan; Ghosh, Prasanta","Coordination polymers of Ag(i) and Hg(i) ions with 2,2'-azobispyridine: synthesis, characterization and enhancement of conductivity in the presence of Cu(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8438","8442","10.1039/d0dt01470b","","","0.71073","MoKα","","0.0373","0.0338","","","0.0874","0.0895","","","","","","1.136","","","","has coordinates","253891","2020-10-21","18:00:00","" "7706965","19.4566","0.0008","15.5539","0.0006","22.9545","0.0009","90","","90","","90","","6946.6","0.5","120","2","120.15","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C39 H25 Co Cr2 Mn2 N15 O33 -","- C38 H22 Co Cr2 Mn2 N14 O24 -","- C152 H88 Co4 Cr8 Mn8 N56 O96 -","4","0.5","","Palacios-Corella, M; García-López, V; Sánchez-Sánchez, C; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Insertion of single-ion magnets based on mononuclear Co(II) complexes into ferromagnetic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5931","5942","10.1039/d1dt00595b","","","0.71073","MoKα","","0.2034","0.0846","","","0.2552","0.2988","","","","","","1.017","","","","has coordinates","266005","2021-06-05","18:31:49","" "7707372","18.8286","0.0014","14.4611","0.0009","8.3598","0.0006","90","","90","","90","","2276.2","0.3","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H24 Be I2 N2 -","- C21 H24 Be I2 N2 -","- C84 H96 Be4 I8 N8 -","4","0.5","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0351","0.0284","","","0.074","0.0781","","","","","","1.032","","","","has coordinates","267150","2021-07-05","17:31:19","" "7709497","19.6139","0.0004","14.3164","0.0003","7.582","0.0001","90","","90","","90","","2129.03","0.07","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H24 Br2 N2 Se -","- C21 H24 Br2 N2 Se -","- C84 H96 Br8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0331","0.0255","","","0.0601","0.0635","","","","","","1.044","","","","has coordinates","272982","2022-02-15","23:59:43","" "7710586","11.1341","0.0004","27.736","0.0012","21.0109","0.0009","90","","90","","90","","6488.5","0.5","149.25","","149.25","","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C55 H27 B4 Br4 Cl6 F20 N4 O8 -","- C55 H27 B4 Br4 Cl6 F20 N4 O8 -","- C220 H108 B16 Br16 Cl24 F80 N16 O32 -","4","0.5","","Yeung, Jason; Becker, Matthias; Stephan, Douglas W.","Towards macrocyclic frustrated Lewis pairs","Dalton Transactions","2022","","","","","10.1039/D2DT01716D","","","0.71073","MoKα","","0.0803","0.047","","","0.0872","0.0989","","","","","","1.028","","","","has coordinates","276212","2022-06-23","23:18:58","" "7711976","26.864","0.007","15.259","0.004","17.79","0.004","90","","90","","90","","7292","3","153","","153","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C77 H63 B Br Fe N7 O6 -","- C77 H63 B Br Fe N7 O6 -","- C308 H252 B4 Br4 Fe4 N28 O24 -","4","0.5","","Matsubara, Kouki; Yamada, Yuji; Iwasaki, Haruka; Ikeda, Hayao; Kanetsugu, Yuki; Kawata, Satoshi; Koga, Yuji","A 1,2,3-triazole-derived pincer-type mesoionic carbene complex of iron(II): carbonyl elimination and hydrosilylation of aromatic aldehydes via the concerted reaction with hydrosilane and a base.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","572","582","10.1039/d2dt03617g","","","0.71075","MoKα","","0.0847","0.076","","","0.2012","0.2077","","","","","","1.137","","","","has coordinates","283342","2023-05-05","02:40:32","" "7712211","16.2539","0.0003","24.0871","0.0005","20.0157","0.0005","90","","90","","90","","7836.3","0.3","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C56 H98 F18 O23 P6 S6 Sn3 -","- C36 H48 F18 O18 P6 S6 Sn3 -","- C144 H192 F72 O72 P24 S24 Sn12 -","4","0.5","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","0.71073","MoKα","K-L~3~","0.0959","0.0602","","","0.1519","0.1674","","","","","","1.042","","","","has coordinates,has disorder","283245","2023-05-05","01:47:01","" "7713148","14.655","0.002","27.476","0.004","13.511","0.002","90","","90","","90","","5440.3","1.4","296","2","296","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C27 H20 Cl Cu N6 O4 S -","- C27 H20 Cl Cu N6 O4 S -","- C216 H160 Cl8 Cu8 N48 O32 S8 -","8","1","","Kartikeyan, Radhakrishnan; Murugan, Dhanashree; Ajaykamal, Tamilarasan; Varadhan, Manikandan; Rangasamy, Loganathan; Velusamy, Marappan; Palaniandavar, Mallayan; Venugopal, Rajendiran","Mixed Ligand Copper(II)-Diimine Complexes of 2-Formylpyridine-N4-Phenylthiosemicarbazone: Diimine Co-ligands Tune the in Vitro Nanomolar Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00213F","","","0.71073","MoKα","","0.1247","0.0569","","","0.1427","0.1874","","","","","","1.021","","","","has coordinates","283980","2023-05-23","22:54:55","" "7714631","14.931","0.007","49.55","0.03","11.093","0.008","90","","90","","90","","8207","9","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C96 H74 B6 Cl8 N2 O -","- C96 H74 B6 Cl8 N2 O -","- C384 H296 B24 Cl32 N8 O4 -","4","0.5","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","","0.71073","MoKα","","0.081","0.0612","","","0.1292","0.1379","","","","","","1.103","","","","has coordinates,has disorder","289536","2024-02-04","12:04:40","" "7715115","5.1416","0.0006","25.327","0.003","21.599","0.003","90","","90","","90","","2812.6","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C15 H14 Mn0.5 O5 P -","- C15 H14 Mn0.5 O5 P -","- C120 H112 Mn4 O40 P8 -","8","1","","Zhang, Xu; Zhang, Yana; Li, Xin; Yu, Jiahui; Chi, Weijia; Wang, Zikang; Zheng, Hanwen; Sun, Zhengang; Zhu, Yanyu; Jiao, Chengqi","A stable Mn(II) coordination polymer demonstrating proton conductivity and quantitative sensing of oxytetracycline in aquaculture.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5034","5042","10.1039/d3dt03882c","","","1.54178","CuKα","","0.0811","0.0617","","","0.1473","0.1597","","","","","","1.069","","","","has coordinates","290970","2024-04-04","23:33:01","" "7717597","14.1189","0.0005","7.9834","0.0003","22.9967","0.0007","90","","90","","90","","2592.12","0.16","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 Al Br3 N4 -","- C20 H20 Al Br3 N4 -","- C80 H80 Al4 Br12 N16 -","4","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2025","54","6","2301","2307","10.1039/d4dt03148b","","","0.71073","MoKα","","0.0381","0.0293","","","0.0706","0.0744","","","","","","1.054","","","","has coordinates,has disorder","298897","2025-04-05","03:01:02","" "7718423","6.8155","0.00011","13.6335","0.0002","17.8897","0.0003","90","","90","","90","","1662.3","0.05","130","1","130","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 N2 Ni O2 -","- C20 H20 N2 Ni O2 -","- C80 H80 N8 Ni4 O8 -","4","0.5","","Szarłan, Bartłomiej; Robaszkiewicz, Jakub; Pawluć, Piotr; Kubicki, Maciej; Zaranek, Maciej","Salen-type nickel(II) complexes for distinct selective hydrosilylation of alkenes under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2025","54","17","7088","7094","10.1039/d4dt03257h","","x-ray","1.54184","CuKα","","0.035","0.033","","","0.0962","0.0979","","","","","","1.128","","","","has coordinates","300818","2025-07-06","15:55:09","" "7719751","15.9203","0.0004","30.1729","0.0011","9.7094","0.0003","90","","90","","90","","4664","0.3","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C16 H37 Cu N2 O37.12 P4 V5 -","- C16 H41 Cu N2 O37.118 P4 V5 -","- C64 H164 Cu4 N8 O148.472 P16 V20 -","4","0.5","","Morla, Kalyankumar S.; Sahu, Rajulal; Ahamed, Subuhan; Ghosh, Saurav; Mondal, Kartik Chandra; Sankapal, Babasaheb R.; Banerjee, Abhishek","Ligand-directed assembly and transformation of hybrid oxo-vanadates into 3d-3d oxo-vanado-cuprates: structural diversification and superior electrochemical performance in a prototype liquid-configured-device-grade supercapacitor.","Dalton transactions (Cambridge, England : 2003)","2025","54","46","17322","17335","10.1039/d5dt01786f","","","1.34143","GaKα","","0.1368","0.0641","","","0.1635","0.1901","","","","","","0.965","","","","has coordinates,has disorder","303786","2025-11-29","20:50:12","" "8000162","12.809","0.003","9.3747","0.0019","11.205","0.002","90","","90","","90","","1345.5","0.5","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C0 H10 N O14 P3 Ti2 -","- H6 N1.04 O14 P3 Ti2 -","- H24 N4.16 O56 P12 Ti8 -","4","0.5","","Zhao, Yongnan; Yang, Yang; Yang, Xiaoqin; Guo, Wenjun","A New Open-structured Titanophosphate with Intersecting 12-Ring Channels","Chemistry Letters","2007","36","3","456","","10.1246/cl.2007.456","","","0.71073","MoKα","","0.0646","0.0527","","","0.1293","0.1368","","","","","","1.099","","","","has coordinates","211175","2020-10-21","18:00:00","" "8000201","26.1476","0.0011","14.1409","0.0006","14.6773","0.0006","90","","90","","90","","5426.9","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 Cs Er F52 O8 -","- C44 Cs Er F52 O8 -","- C176 Cs4 Er4 F208 O32 -","4","0.5","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.0346","0.0215","","","0.0415","0.0456","","","","","","1.019","","","","has coordinates","176728","2020-10-21","18:00:00","" "8000267","8.3106","0.0003","11.699","0.0005","8.9515","0.0004","90","","90","","90","","870.32","0.06","150.05","0.1","150.05","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0392","0.0388","","","0.1033","0.1036","","","","","","1.298","","","","has coordinates","211175","2020-10-21","18:00:00","" "8000271","8.3501","0.0003","11.7353","0.0005","8.9456","0.0004","90","","90","","90","","876.59","0.06","270.02","0.1","270.02","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0178","0.0169","","","0.0496","0.05","","","","","","1.124","","","","has coordinates","211175","2020-10-21","18:00:00","" "8000273","8.3606","0.0003","11.7463","0.0005","8.9453","0.0004","90","","90","","90","","878.48","0.06","300.03","0.1","300.03","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0177","0.0169","","","0.0492","0.0495","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00","" "8000274","8.3202","0.0003","11.7079","0.0005","8.9497","0.0004","90","","90","","90","","871.81","0.06","180.01","0.1","180.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0329","0.0325","","","0.0897","0.0901","","","","","","1.264","","","","has coordinates","211175","2020-10-21","18:00:00","" "8000275","8.301","0.0003","11.6888","0.0005","8.9533","0.0004","90","","90","","90","","868.73","0.06","120.12","0.19","120.12","0.19","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","x-ray","0.71073","MoKα","","0.0394","0.0391","","","0.1044","0.1046","","","","","","1.289","","","","has coordinates","211175","2020-10-21","18:00:00","" "8000276","8.3302","0.0003","11.7153","0.0005","8.9475","0.0004","90","","90","","90","","873.19","0.06","210.05","0.1","210.05","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0187","0.0181","","","0.0534","0.0537","","","","","","1.166","","","","has coordinates","211175","2020-10-21","18:00:00","" "8000278","8.34","0.0003","11.7244","0.0005","8.9461","0.0004","90","","90","","90","","874.76","0.06","240.02","0.1","240.02","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0178","0.017","","","0.0499","0.0503","","","","","","1.13","","","","has coordinates","211175","2020-10-21","18:00:00","" "8102196","11.0915","0.0009","42.064","0.004","5.0972","0.0004","90","","90","","90","","2378.1","0.4","292","2","292","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","triaqua-cis-bis((2-carboxybenzene)sulfonylglycinato)zinc(II)","","- C18 H22 N2 O15 S2 Zn -","- C18 H22 N2 O15 S2 Zn -","- C72 H88 N8 O60 S8 Zn4 -","4","0.5","","Ma, Lu-Fang; Wu, Ye; Lu, Dan-Hua","Crystal structure of triaqua-cis-bis((2-carboxybenzene)sulfonylglycinato) zinc(II), Zn(H~2~O)~3~(C~9~H~8~NO~6~S)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","435","436","","","","0.71073","MoKα","","0.0348","0.0298","","","0.0845","0.0883","","","","","","1.044","","","","has coordinates","301880","2025-08-22","23:45:47","" "8102557","25.206","0.005","15.132","0.005","7.647","0.005","90","0.005","90","0.005","90","0.005","2917","2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","poly-[[biphenylethene-4,4'-dicarboxylato] zinc(II)-bis[2-methyl-1H-imidazole]] hydrate","","- C24 H23 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C96 H88 N16 O20 Zn4 -","4","0.5","","Da-Jun Sun; Ya-Ping Li; Hu Zang; Li-Ying Han; Yu-Lin Li","Crystal structure of (biphenylethene-4,4'-dicarboxylato)-bis(2-methyl-1H-imidazole)zinc(II) hydrate, Zn(C16H10O4)(C4H6N2)2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","671","","","","","1.5418","CuKα","","0.1012","0.0834","","","0.1358","0.1631","","","","","","1.102","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103762","5.58","","11.626","","4.924","","90","","90","","90","","319.435","","","","","","","","","","","","","4","P n n a","-P 2a 2bc","52","","Bi (Nb0.79 Ta0.21) O4","","- Bi Nb0.79 O4 Ta0.21 -","- Bi Nb0.79 O4 Ta0.21 -","- Bi4 Nb3.16 O16 Ta0.84 -","4","0.5","","Kazantsev, S.S.; Sapozhnikov, A.N.; Pushcharovskii, D.Yu.; Molchanov, V.N.; Werner, S.; Maximov, B.A.; Schneider, J.","Phase transitions in solid solution series bismutocolumbite - stibiocolumbite (Bi - Sb) (Nb0.79 Ta0.21) O4","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","542","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103763","5.6219","","11.7861","","4.9596","","90","","90","","90","","328.624","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","(Sb0.52 Bi0.48) (Nb0.71 Ta0.29) O4","","- Bi0.48 Nb0.71 O4 Sb0.52 Ta0.29 -","- Bi0.48 Nb0.71 O4 Sb0.52 Ta0.29 -","- Bi1.92 Nb2.84 O16 Sb2.08 Ta1.16 -","4","0.5","","Kazantsev, S.S.; Pushcharovskii, D.Yu.; Maximov, B.A.; Molchanov, V.N.; Werner, S.; Schneider, J.; Sapozhnikov, A.N.","Phase transitions in solid solution series bismutocolumbite - stibiocolumbite (Bi - Sb) (Nb0.79 Ta0.21) O4","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","542","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","157153","2020-10-21","18:00:00","" "8103981","7.773","","10.275","","10.191","","90","","90","","90","","813.93","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Tl (Fe Br4)","","- Br4 Fe Tl -","- Br4 Fe Tl -","- Br16 Fe4 Tl4 -","4","0.5","","Thiele, G.; Armbruster, M.","Crystal structure of thallium tetrabromoferrate(III), TlFeBr4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","689","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8104007","8.601","","11.186","","11.363","","90","","90","","90","","1093.24","","","","","","","","","","","","","4","P n n a","-P 2a 2bc","52","","(N H4) (In I4)","","- H4 I4 In N -","- H4 I4 In N -","- H16 I16 In4 N4 -","4","0.5","","Burnus, R.; Hinz, D. J.; Meyer, G.","Crystal structure of ammonium tetraiodoindate(III), NH4InI4","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","686","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00","" "8104139","12.612","","10.172","","6.205","","90","","90","","90","","796.035","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","K (Al F (P O4))","","- Al F K O4 P -","- Al F K O4 P -","- Al8 F8 K8 O32 P8 -","8","1","","Kirkby, S.J.; Lough, A.J.; Ozin, G.A.","Crystal structure of potassium aluminium fluoride phosphate, K Al F P O4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","956","956","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8106051","16.921","0.002","19.211","0.002","10.2928","0.0012","90","","90","","90","","3345.9","0.7","296","2","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H13 Br Co N4 O4 -","- C16 H13 Br Co N4 O4 -","- C128 H104 Br8 Co8 N32 O32 -","8","1","","Han, Min-Le; Wang, San-Tai; Li, Zhong-Qi","Crystal structure of catena-(μ3-5-bromoisophthatato-κO,O′: O′′,O′′′′)-(1,2-bis(imidazol-1-yl)ethane-κN:N′)cobalt(II), C16H13CoN4O4Br","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","79","81","10.1515/ncrs-2017-0168","","","0.71073","MoKα","","0.0598","0.0335","","","0.0621","0.0713","","","","","","1.038","","","","has coordinates","279191","2022-11-10","09:34:15","" "9000983","16.119","","22.472","","9.551","","90","","90","","90","","3459.62","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","Carnallite","- Cl3 H12 K Mg O6 -","- Cl3 H12 K Mg O6 -","- Cl36 H144 K12 Mg12 O72 -","12","1.5","","Schlemper, E. O.; Sen Gupta, P. K.; Zoltai, T.","Refinement of the structure of carnallite, Mg(H2O)6KCl3","American Mineralogist","1985","70","","1309","1313","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40","" "9001420","13.874","","18.66","","10.697","","90","","90","","90","","2769.33","","","","","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","Armenite","- Al6 Ba Ca2 H2 O32 Si9 -","- Al6 Ba Ca2 H4 O32 Si9 -","- Al24 Ba4 Ca8 H16 O128 Si36 -","4","0.5","","Armbruster, T.; Czank, M.","H2O ordering and superstructures in armenite, BaCa2Al6Si9O30.2H2O: A single-crystal X-ray and TEM study sample from Remigny, Quebec, Canada","American Mineralogist","1992","77","","422","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:38:57","" "9007595","5.627","","11.6486","","4.9973","","90","","90","","90","","327.556","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- O4 Sn W -","- O4 Sn W -","- O16 Sn4 W4 -","4","0.5","","Jeitschko, W.; Sleight, A. W.","Alpha stannous tungstate: Properties, crystal structure and relationship to ferroelectric SbTaO4 type compounds","Acta Crystallographica, Section B","1974","30","","2088","2094","10.1107/S0567740874006534","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9009419","5.668","","11.725","","4.971","","90","","90","","90","","330.359","","","","","","","","","","","","Malkhan field, Central Transbaikalia, Russia","4","P n n a","-P 2a 2bc","52","","","Bismutocolumbite","- Bi Nb0.79 O4 Ta0.21 -","- Bi Nb0.79 O4 Ta0.21 -","- Bi4 Nb3.16 O16 Ta0.84 -","4","0.5","","Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Smolin, A. S.; Tillmanns, E.; Brandstatter, F.; Hammer, V.; Peretyazhko, I. S.; Sapozhnikov, A. N.; Kashaev, A. A.","Bismutocolumbite, Bi(Nb.79Ta.21)O4, stibiocolumbite, Sb(Nb.67Ta.33)O4 and their structural relation to the other ABO4 minerals with stibiotantalite (SbTaO4) structure Locality: Malkhan field, Central Transbaikalia, Russia","Neues Jahrbuch fur Mineralogie, Monatshefte","2002","2002","","145","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31","" "9009433","14.465","","11.625","","5.235","","90","","90","","90","","880.295","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","Stokesite","- Ca H4 O11 Si3 Sn -","- Ca H4 O11 Si3 Sn -","- Ca4 H16 O44 Si12 Sn4 -","4","0.5","","Vorma, A.","Crystal structure of stokesite, CaSnSi3O9*2H2O","Mineralogical Magazine","1963","33","","615","617","10.1180/minmag.1963.033.262.10","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""