# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-13T22:05:36+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41 c d' 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
"1100825","29.2318","0.0015","29.2318","0.0015","10.1105","0.0007","90","","90","","90","","8639.4","0.9","163","2","163","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H35 Si Y -","- C23 H30 Si Y -","- C368 H480 Si16 Y16 -","16","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0485","0.0361","","","0.0896","0.0965","","","","","","1.074","","","","has coordinates","282633","2023-04-14","12:40:04",""
"1100973","12.708","0.0012","12.708","0.0012","21.9553","0.002","90","","90","","90","","3545.6","0.6","293","","293","","","","","","","","","4","I 41 c d","I 4bw -2c","110","hydrazinium germanium(IV) selenide","hydrazinium germanium(IV) selenide","","- Ge2 H20 N8 Se6 -","- Ge2 H20 N8 Se6 -","- Ge16 H160 N64 Se48 -","8","0.5","","David B. Mitzi","Synthesis, Structure, and Thermal Properties of Soluble Hydrazinium Germanium(IV) and Tin(IV) Selenide Salts","Inorganic Chemistry","2005","44","","3755","3761","10.1021/ic048276l","","x-ray","0.7093","MolybdenumKα","","0.019","0.019","","0.027","0.027","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505514","16.7363","0.0003","16.7363","0.0003","34.0261","0.0011","90","","90","","90","","9530.8","0.4","100","2","100","2","","","","","","","","2","I 41 c d","I 4bw -2c","110","","","","- C38 H24 -","- C38 H24 -","- C608 H384 -","16","1","","Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra","Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials.","Organic letters","2007","9","21","4091","4094","10.1021/ol7015466","","","1.54178","CuKα","","0.0215","0.021","","","0.0557","0.0559","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508607","19.454","0.004","19.454","0.004","39.146","0.008","90","","90","","90","","14815","5","273","","273","","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C75 H76 Ag2 F22 N8 O7 S2 -","- C75 H75 Ag2 F22 N8 O7 S2 -","- C600 H600 Ag16 F176 N64 O56 S16 -","8","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0834","0.0719","","","0.2011","0.213","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511473","9.479","","9.479","","10.29","","90","","90","","90","","924.571","","","","","","","","","","","","","3","I 41 c d","I 4bw -2c","110","","Li2 (B4 O7)","","- B4 Li2 O7 -","- B4 Li2 O7 -","- B32 Li16 O56 -","8","0.5","","Muradyan, L.A.; Malakhova, L.F.; Burak, Ya.V.; Simonov, V.I.; Radaev, S.F.","Atomic structure and electron density of lithium tetraborate Li2 B4 O7","Kristallografiya","1989","34","","1400","1407","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520353","16.2982","0.0006","16.2982","0.0006","17.0833","0.0006","90","","90","","90","","4537.9","0.3","120","2","120","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","N-(2-tert-butylphenyl)acetamide","","- C12 H17 N O -","- C12 H17 N O -","- C192 H272 N16 O16 -","16","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-tert-butylphenyl)acetamide","Crystal Structure Report Archive","2009","","","1369","","","","","0.71073","MoKα","","0.107","0.0621","","","0.1219","0.1393","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530039","15.626","","15.626","","19.659","","90","","90","","90","","4800.17","","","","","","","","","","","","","3","I 41 c d","I 4bw -2c","110","","Pr8 Sb2 S15","","- Pr8 S15 Sb2 -","- Pr8 S15 Sb2 -","- Pr64 S120 Sb16 -","8","0.5","","Guseinov, G.G.; Mamedov, F.Kh.; Mamedov, Kh.S.; Amiraslanov, I.R.","The crystal structure of Pr8 Sb2 S15","Kristallografiya","1981","26","","831","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","155001","2020-10-21","18:00:00",""
"1532852","12.25008","","12.25008","","8.35891","","90","","90","","90","","1254.38","","","","","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Pb (Ni1.88 Mg0.12) (V O4)2","","- Mg0.12 Ni1.88 O8 Pb V2 -","- Mg0.138 Ni1.862 O8 Pb V2 -","- Mg1.104 Ni14.896 O64 Pb8 V16 -","8","0.5","","Mastoraki, I.; Lappas, A.; Toebbens, D.M.; Giapintzakis, J.; Hernandez-Velasco, J.","Relations of crystal structure to magnetic properties in the quasi-one-dimensional compound Pb Ni1.88 Mg0.12 V2 O8","Journal of Solid State Chemistry","2004","177","","2404","2414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1549469","44.7776","0.0058","44.7776","0.0058","7.6581","0.0039","90","","90","","90","","15355","8","298","","298","","","","1013","","","","","6","I 41 c d","I 4bw -2c","110","","","Zr-CAU-30","- C44 N4 Ni O22 P4 Zr2 -","- C44 N4 Ni O21.052 P4 Zr2 -","- C352 N32 Ni8 O168.416 P32 Zr16 -","8","0.5","","Rhauderwiek, Timo; Zhao, Haishuang; Hirschle, Patrick; Döblinger, Markus; Bueken, Bart; Reinsch, Helge; De Vos, Dirk; Wuttke, Stefan; Kolb, Ute; Stock, Norbert","Highly stable and porous porphyrin-based zirconium and hafnium phosphonates - electron crystallography as an important tool for structure elucidation.","Chemical science","2018","9","24","5467","5478","10.1039/c8sc01533c","","x-ray","1.54059","CuKα1","","","","","","","","","","","","","","","","","has coordinates","228631","2020-10-21","18:00:00",""
"1550751","24.7912","0.0003","24.7912","0.0003","31.0121","0.0006","90","","90","","90","","19060.1","0.5","149.97","0.1","149.97","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C49 H63 Cl N2 Pd -","- C49 H63 Cl N2 Pd -","- C784 H1008 Cl16 N32 Pd16 -","16","1","","Du, Cheng; Zhong, Liu; Gao, Jie; Zhong, Shuhuang; Liao, Heng; Gao, Haiyang; Wu, Qing","Living (co)polymerization of ethylene and bio-based furfuryl acrylate using dibenzobarrelene derived α-diimine palladium catalysts","Polymer Chemistry","2019","10","16","2029","","10.1039/C9PY00126C","","x-ray","1.54178","CuKα","","0.047","0.041","","","0.1008","0.1063","","","","","","1.067","","","","has coordinates,has disorder","288248","2023-12-12","12:55:26",""
"1553938","31.825","0.009","31.825","0.009","8.303","0.002","90","","90","","90","","8410","4","296","2","296.15","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C432 H368 N48 O16 -","16","1","","Zhang, Chen; Pi, Junxia; Chen, Shu; Liu, Ping; Sun, Peipei","Construction of a 4H-pyrido[4,3,2-gh]phenanthridin-5(6H)-one skeleton via a catalyst-free radical cascade addition/cyclization using azo compounds as radical sources","Organic Chemistry Frontiers","2018","5","5","793","","10.1039/C7QO00926G","","","0.71073","MoKα","","0.0381","0.0329","","","0.0924","0.0969","","","","","","1.126","","","","has coordinates","236182","2020-10-21","18:00:00",""
"1556041","31.5316","0.001","31.5316","0.001","18.8701","0.0012","90","","90","","90","","18761.4","1.5","100","","100","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C19 H37 Br Cu N3 P2 -","- C19 H37 Br Cu N3 P2 -","- C608 H1184 Br32 Cu32 N96 P64 -","32","2","","Mastalir, Matthias; Pittenauer, Ernst; Stöger, Berthold; Allmaier, Günter; Kirchner, Karl","Three Different Reactions, One Catalyst: A Cu(I) PNP Pincer Complex as Catalyst for C-C and C-N Cross-Couplings.","Organic letters","2017","19","8","2178","2181","10.1021/acs.orglett.7b00857","","x-ray","0.71073","MoKα","","0.0324","0.0228","","","0.0233","0.0243","","","","1.04","1.04","1","","","","has coordinates","239362","2020-10-21","18:00:00",""
"1556596","28.4159","0.0012","28.4159","0.0012","19.2051","0.001","90","","90","","90","","15507.4","1.2","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C38 H47 In N2 O -","- C38 H47 In N2 O -","- C608 H752 In16 N32 O16 -","16","1","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0859","0.0505","","","0.116","0.1532","","","","","","1.095","","","","has coordinates","245216","2020-10-21","18:00:00",""
"1558313","17.6517","0.0004","17.6517","0.0004","36.5175","0.001","90","","90","","90","","11378.2","0.5","250","2","250","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","JL376-17_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C576 H464 B16 F32 N32 -","16","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0632","0.0378","","","0.0988","0.1486","","","","","","1.01","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1560442","15.7871","0.0006","15.7871","0.0006","19.7992","0.0016","90","","90","","90","","4934.6","0.5","293","2","293","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- Ce8 S15 Sb2 -","- Ce8 S15 Sb2 -","- Ce64 S120 Sb16 -","8","0.5","","Zhao, Hua-Jun; Zhong, Xiao-Ai","Synthesis, crystal structure, and optical properties of the noncentrosymmetric sulfide Ce 8 Sb 2 S 15","Journal of Solid State Chemistry","2017","251","","65","69","10.1016/j.jssc.2017.04.011","","","0.71073","MoKα","","0.0225","0.022","","","0.0457","0.0459","","","","","","1.143","","","","has coordinates","262027","2021-02-17","09:39:10",""
"1573160","17.2516","0.0002","17.2516","0.0002","47.4743","0.0008","90","","90","","90","","14129.2","0.3","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C84 H100 Ga2 N4 -","- C84 H100 Ga2 N4 -","- C672 H800 Ga16 N32 -","8","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0442","0.0336","","","0.078","0.0826","","","","","","1.109","","","","has coordinates","298088","2025-03-04","18:55:54",""
"2000531","15.582","0.005","15.582","0.005","17.528","0.005","90","","90","","90","","4256","2","","","","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C176 H224 N32 O32 -","16","1","NA1000","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of (<i>E</i>)-4-benzoylbutyramide oxime","Acta Crystallographica Section C","1992","48","10","1819","1821","10.1107/S0108270192004463","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205964","2020-10-21","18:00:00",""
"2001596","16.9","0.02","16.9","0.02","33.31","0.03","90","","90","","90","","9514","18","","","","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C51.5 H44 Cl2 Ir2 N4 -","- C55 H40 Cl2 Ir2 N4 -","- C440 H320 Cl16 Ir16 N32 -","8","0.5","CR1031","Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.","Structures of <i>ortho</i>-metalated [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes","Acta Crystallographica Section C","1993","49","6","1117","1120","10.1107/S0108270193000836","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205964","2020-10-21","18:00:00",""
"2002120","12.1617","0.0013","12.1617","0.0013","8.3247","0.0014","90","","90","","90","","1231.3","","","","","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","Strontium dinickel bis(vanadate)","","- Ni2 O8 Sr V2 -","- Ni2 O8 Sr V2 -","- Ni16 O64 Sr8 V16 -","8","0.5","","Wichmann, R; Muller-Buschbaum, H","Sr Ni2 V2 O8: Ein neuer Strukturtyp der ErdalkaliOxometallate","Revue de Chimie Minerale","1986","23","","1","7","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002647","12.267","0.001","12.267","0.001","8.424","0.001","90","","90","","90","","1267.6","","","","","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","Strontium dicobaltodivanadate","","- Co2 O8 Sr V2 -","- Co2 O8 Sr V2 -","- Co16 O64 Sr8 V16 -","8","0.5","","Osterloh, D; Mueller-Buschbaum, Hk","Zur Kenntnis von Sr Co2 V2 O8 und Sr Co2 (As O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1994","49","","923","926","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002870","12.1595","0.001","12.1595","0.001","8.2241","0.0028","90","","90","","90","","1216","","","","","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Strontium nickel arsenate vanadate (1/2/1.38/.62)","","- As1.38 Ni2 O8 Sr V0.62 -","- As1.38 Ni2 O8 Sr V0.62 -","- As11.04 Ni16 O64 Sr8 V4.96 -","8","0.5","","Mueller-Buschbaum, Hk; Scheske, St","Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62)","Journal of the Less-Common Metals","1991","171","","313","320","10.1016/0022-5088(91)90153-U","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005770","11.963","0.001","11.963","0.001","15.282","0.002","90","","90","","90","","2187.1","0.4","296","","296","","","","","","","","","4","I 41 c d","I 4bw -2c","110","γ-aminobutyric acid","4-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","1","FR1001","Dobson, A. J.; Gerkin, R. E.","γ-Aminobutyric Acid: a Novel Tetragonal Phase","Acta Crystallographica Section C","1996","52","12","3075","3078","10.1107/S0108270196010001","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006898","21.4236","0.0009","21.4236","0.0009","25.757","0.003","90","","90","","90","","11821.7","1.5","170","2","170","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","(μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-terbium(III)-titanium (μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-erbium(III)-titanium","","- C42 H98 Er0.4 O15 Tb3.6 Ti -","- C42 H98 Er0.4 O15 Tb3.6 Ti -","- C336 H784 Er3.2 O120 Tb28.8 Ti8 -","8","0.5","AB1489","Marat Moustiakimov; Mikael Kritikos; Gunnar Westin","(Tb~0.9~,Er~0.1~)~4~TiO(O^<i>i^</i>Pr)~14~, a Novel Pentanuclear Oxo‒Alkoxide","Acta Crystallographica Section C","1998","54","1","29","31","10.1107/S0108270197010664","","","0.71073","MoKα","","0.0393","0.0238","","0.0632","0.0597","","","","0.997","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007979","14.795","0.001","14.795","0.001","16.634","0.002","90","","90","","90","","3641","0.6","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dichloro bis (1-phenylpyrazole) copper (II)","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C144 H128 Cl16 Cu8 N32 -","8","0.5","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.034","0.027","","","","0.063","","","","","","0.923","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009698","17.352","0.002","17.352","0.002","16.522","0.003","90","","90","","90","","4974.6","1.2","294","","","","","","","","","","","5","I 41 c d","","","","","","- C6 H12 Cl3 Fe S3 -","- C6 H12 Cl3 Fe S3 -","- C96 H192 Cl48 Fe16 S48 -","16","1","HH1079","Ballester, Joanne; Parker, O. Jerry; Breneman, Gary L.","Trichloro(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')iron(III), [FeCl~3~(C~6~H~12~S~3~)]","Acta Crystallographica Section C","1994","50","5","712","714","10.1107/S0108270193012247","","","0.71073","MoKα","","","0.03","","","0.033","","","","","0.91","0.91","","","","","has coordinates","199470","2020-10-21","18:00:00",""
"2011906","21.186","0.004","21.186","0.004","36.633","0.001","90","","90","","90","","16443","4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H27 F O4 -","- C23 H27 F O4 -","- C736 H864 F32 O128 -","32","2","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.057","0.0433","","","","0.0825","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012311","18.286","0.002","18.286","0.002","41.345","0.006","90","","90","","90","","13825","3","294","","294","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn) toluene hemisolvate","","- C36.5 H26 Mn2 O8 P2 -","- C36.5 H24.5 Mn2 O8 P2 -","- C584 H392 Mn32 O128 P32 -","16","1","FR1342","Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John","μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate","Acta Crystallographica Section C","2001","57","11","1292","1294","10.1107/S0108270101013130","","","0.71073","MoKα","","0.065","0.045","","0.079","","0.038","","","1.32","","","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013510","20.9438","0.0004","20.9438","0.0004","13.9169","0.0002","90","","90","","90","","6104.55","0.19","160","2","160","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","3-Methyl-N-(2-naphthyloxymethylcarbonyl)piperidine","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C288 H336 N16 O32 -","16","1","SK1646","Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-(2-Naphthyloxy)acetate derivatives. I. A new class of antiamnesic agents","Acta Crystallographica Section C","2003","59","8","o422","o425","10.1107/S0108270103012332","","","0.71073","MoKα","","0.0361","0.031","","","0.0809","0.0845","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015313","13.11","0.003","13.11","0.003","38.751","0.008","90","","90","","90","","6660","3","102","","102","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dimethylammonium hydrogen diphenyldiphosphonate","","- C28 H38 N2 O10 P4 -","- C14 H19 N O5 P2 -","- C224 H304 N16 O80 P32 -","16","1","HJ1093","Courtney, Brandy H.; Juma, Booker W. O.; Watkins, Steven F.; Fronczek, Frank R.; Stanley, George G.","Symmetric hydrogen bonding in dimethylammonium hydrogen diphenyldiphosphonate","Acta Crystallographica Section C","2006","62","5","o268","o270","10.1107/S0108270106009528","","","0.71073","MoKα","","0.074","0.043","","","0.086","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019290","26.3705","0.0017","26.3705","0.0017","16.79","0.0011","90","","90","","90","","11675.8","1.3","200","2","200","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II) dichloromethane monosolvate","","- C27 H26 Cl2 I2 Ni P2 -","- C27 H26 Cl2 I2 Ni P2 -","- C432 H416 Cl32 I32 Ni16 P32 -","16","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0426","0.0353","","","0.0699","0.0746","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2023071","24.069","0.003","24.069","0.003","6.4468","0.0008","90","","90","","90","","3734.7","0.8","123","2","123","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","4,4'-Dimethoxybiphenyl-3,3',5,5'-tetracarboxylic acid dihydrate","","- C18 H18 O12 -","- C18 H18 O12 -","- C144 H144 O96 -","8","0.5","EX2080","Hanauer, Thomas; Seichter, Wilhelm; Mazik, Monika","Crystal structure and Hirshfeld surface analysis of 4,4'-di-meth-oxy-biphenyl-3,3',5,5'-tetra-carb-oxy-lic acid dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","413","417","10.1107/S2056989024002305","","","0.71073","MoKα","","0.0617","0.0394","","","0.0824","0.0929","","","","","","1.083","","","","has coordinates","291725","2024-05-06","04:21:23",""
"2101422","23.3334","0.0018","23.3334","0.0018","7.7186","0.0011","90","","90","","90","","4202.4","0.8","294","1","294","1","","","","","","","","4","I 41 c d","I 4bw -2c","110","1-Ferrocenylethanol","1-Ferrocenylethanol","","- C12 H14 Fe O -","- C12 H14 Fe O -","- C192 H224 Fe16 O16 -","16","1","AB0340","Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G.","Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol","Acta Crystallographica Section B","1996","52","1","110","121","10.1107/S0108768195007531","","","0.7107","MolybdenumKα","","0.049","0.025","","0.033","0.029","","","","","0.99","0.99","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101598","12.1617","0.0013","12.1617","0.0013","8.3247","0.0014","90","","90","","90","","1231.3","0.3","","","","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- Ni2 O8 Sr V2 -","- Ni16 O64 Sr8 V16 -","- Ni16 O64 Sr8 V16 -","","","AN0527","Abrahams, S. C.","New ferroelectric inorganic materials predicted in point group 4<i>mm</i>","Acta Crystallographica Section B","1996","52","5","790","805","10.1107/S0108768196004594","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","205964","2020-10-21","18:00:00",""
"2103750","18.586","0.003","18.586","","22.345","0.004","90","","90","","90","","7718.8","1.9","296","","296","","","","","","","","","6","I 41 c d","I 4bw -2c","110","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bispyrimidinecopper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-pyrimidine-N1:N3] copper(II)","","- C14 H6 Cu F12 N2 O4 -","- C14 H6 Cu F12 N2 O4 -","- C224 H96 Cu16 F192 N32 O64 -","16","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.0653","0.045","","","","0.1388","","","","","","1.071","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103751","18.3757","0.0017","18.3757","","22.137","0.003","90","","90","","90","","7474.9","1.2","120","","120","","","","","","","","","6","I 41 c d","I 4bw -2c","110","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bispyrimidinecopper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-pyrimidine-N1:N3] copper(II)","","- C14 H6 Cu F12 N2 O4 -","- C14 H6 Cu F12 N2 O4 -","- C224 H96 Cu16 F192 N32 O64 -","16","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.0342","0.0296","","","","0.0827","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201897","12.988","0.0004","12.988","0.0004","20.9435","0.0012","90","","90","","90","","3532.9","0.3","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","[Bis(4-maleimidophenyl)]methane","","- C21 H14 N2 O4 -","- C21 H14 N2 O4 -","- C168 H112 N16 O32 -","8","0.5","CI6215","Anwar Usman; Hoong-Kun Fun; Hai-Liang Zhu; Gang Ke","Bis(4-maleimidophenyl)methane","Acta Crystallographica Section E","2003","59","5","o652","o653","10.1107/S1600536803007670","","","0.71073","MoKα","","0.0345","0.032","","","0.0879","0.0915","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210390","13.446","0.001","13.446","","27.98","0.002","90","","90","","90","","5058.6","0.5","295","2","295","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","Poly[[bis(μ~2~-3,5-diamino-1,2,4-triazole)- κ^2^<i>N</i>^2^:<i>N</i>^4^;κ^2^<i>N</i>^4^:<i>N</i>^2^- μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>'-cadmium(II)] monohydrate]","","- C4 H12 Cd N10 O5 S -","- C4 H12 Cd N10 O5 S -","- C64 H192 Cd16 N160 O80 S16 -","16","1","TK2060","Zhang, Guo-Fang; Zhao, Shu-Min; She, Jiang-Bo; Ng, Seik Weng","Poly[[bis(μ~2~-3,5-diamino-1,2,4-triazole)-κ^2^<i>N</i>^2^:<i>N</i>^4^;κ^2^<i>N</i>^4^:<i>N</i>^2^-μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>'-cadmium(II)] monohydrate]","Acta Crystallographica Section E","2006","62","9","m2148","m2150","10.1107/S1600536806029096","","","0.71073","MoKα","","0.034","0.032","","","0.082","0.085","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2224154","14.977","0.002","14.977","0.002","17.142","0.003","90","","90","","90","","3845.1","1","113","2","113","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone","","- C10 H12 O4 -","- C10 H12 O4 -","- C160 H192 O64 -","16","1","CI2962","He, Jun; Yang, Jin-cheng","1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone","Acta Crystallographica Section E","2009","65","12","o3030","","10.1107/S1600536809046285","","","0.71073","MoKα","","0.0283","0.0278","","","0.0767","0.0771","","","","","","1.155","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229452","22.58","0.0004","22.58","0.0004","13.7196","0.0005","90","","90","","90","","6995","0.3","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol","","- C23 H14 N4 O -","- C23 H14 N4 O -","- C368 H224 N64 O16 -","16","1","LH5209","Wang, Xiu-Yan; Ma, Shuai; He, Yu","1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol","Acta Crystallographica Section E","2011","67","3","o725","","10.1107/S1600536811005861","","","0.71073","MoKα","","0.0351","0.0307","","","0.077","0.0811","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2231225","16.122","0.002","16.122","0.002","12.446","0.003","90","","90","","90","","3235","1","150","2","150","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","2-Amino-3-carboxypyridinium nitrate","","- C6 H7 N3 O5 -","- C6 H7 N3 O5 -","- C96 H112 N48 O80 -","16","1","LX2193","Berrah, Fadila; Bouacida, Sofiane; Roisnel, Thierry","2-Amino-3-carboxypyridinium nitrate","Acta Crystallographica Section E","2011","67","8","o2057","o2058","10.1107/S1600536811027978","","","0.71073","MoKα","","0.1093","0.0593","","","0.1308","0.1577","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231815","13.3038","0.0009","13.3038","0.0009","22.7868","0.0011","90","","90","","90","","4033.1","0.4","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","1,8-Bis-(4-methoxy-3-nitrophenyl)naphthalene","","- C24 H18 N2 O6 -","- C24 H18 N2 O6 -","- C192 H144 N16 O48 -","8","0.5","BT5623","Prabhakaran, Panchami; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","1,8-Bis(4-methoxy-3-nitrophenyl)naphthalene","Acta Crystallographica Section E","2011","67","10","o2630","","10.1107/S1600536811036567","","","0.71073","MoKα","","0.0394","0.0348","","","0.085","0.0875","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234068","32.7078","0.0018","32.7078","0.0018","7.4976","0.0006","90","","90","","90","","8020.9","0.9","200","2","200","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","tris(3-nitro-acetylacetonato)cobalt(III)","Tris(3-nitropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H18 Co N3 O12 -","- C15 H18 Co N3 O12 -","- C240 H288 Co16 N48 O192 -","16","1","ZL2451","Johnston, Dean H.; Brangham, Jack T.; Rapp, Christopher D.","Tris(3-nitropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","Acta Crystallographica Section E","2012","68","3","m312","m313","10.1107/S160053681200668X","","","0.71073","MoKα","","0.0292","0.0258","","","0.0599","0.0613","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234397","15.2803","0.0003","15.2803","0.0003","16.4339","0.0007","90","","90","","90","","3837.1","0.2","200","2","200","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Dichloridobis(2-phenylpyridine-κ<i>N</i>)zinc(II)","","- C22 H18 Cl2 N2 Zn -","- C22 H18 Cl2 N2 Zn -","- C176 H144 Cl16 N16 Zn8 -","8","0.5","SJ5207","Dharmalingam, Sivanesan; Lee, Ha-Jin; Yoon, Sungho","Dichloridobis(2-phenylpyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2012","68","4","m431","m432","10.1107/S1600536812010616","","","0.71073","MoKα","","0.0498","0.0314","","","0.0614","0.074","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235170","21.8234","0.0002","21.8234","","18.8025","0.0005","90","","90","","90","","8954.9","0.3","298","2","298","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4,5-Dibromo-2,7-di-<i>tert</i>-butyl-9,9-dimethyl-9<i>H</i>-thioxanthene","","- C23 H28 Br2 S -","- C23 H28 Br2 S -","- C368 H448 Br32 S16 -","16","1","NG5262","Rubio, Omayra H.; Fuentes de Arriba, Angel L.; Sanz, Francisca; Muniz, Francisco M.; Morán, Joaquín R.","4,5-Dibromo-2,7-di-<i>tert</i>-butyl-9,9-dimethyl-9<i>H</i>-thioxanthene","Acta Crystallographica Section E","2012","68","6","o1814","","10.1107/S1600536812020624","","","1.54178","CuKα","","0.043","0.0396","","","0.1114","0.1141","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2240232","18.288","0.003","18.288","0.003","18.511","0.004","90","","90","","90","","6191","2","123","1","123","1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Iodidotris(tetrahydrofuran-κ<i>O</i>)lithium","","- C12 H24 I Li O3 -","- C12 H24 I Li O3 -","- C192 H384 I16 Li16 O48 -","16","1","","Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus","About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs","Acta Crystallographica Section E","2014","70","12","555","558","10.1107/S160053681402529X","","","0.71073","MoKα","","0.0397","0.0269","","","0.0559","0.058","","","","","","0.953","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241740","17.4072","0.0016","17.4072","0.0016","14.4881","0.001","90","","90","","90","","4390","0.6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","<i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide","","- C10 H7 N3 O4 S -","- C10 H7 N3 O4 S -","- C160 H112 N48 O64 S16 -","16","1","HB7593","Cardoso, Laura N. F.; Nogueira, Thais C. M.; Wardell, James L.; Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Jotani, Mukesh M.; Tiekink, Edward R. T.","<i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","7","1025","1031","10.1107/S2056989016009968","","","0.71073","MoKα","","0.0508","0.0449","","","0.1093","0.1134","","","","","","1.048","","","","has coordinates,has Fobs","183939","2020-10-21","18:00:00",""
"2243213","28.3247","0.0007","28.3247","0.0007","7.282","0.0002","90","","90","","90","","5842.3","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","1-(2,7-Dimethylimidazo[1,2-<i>a</i>]pyridin-3-yl)-2-(1,3-dithiolan-2-ylidene)ethanone monohydrate","","- C14 H16 N2 O2 S2 -","- C14 H16 N2 O2 S2 -","- C224 H256 N32 O32 S32 -","16","1","VM2224","Bibila Mayaya Bisseyou, Yvon; Ouattara, Mahama; Soro, Pénétjiligué Adama; Yao-Kakou, R. C. A.; Tenon, Abodou Jules","Crystal structure, Hirshfeld surface analysis and contact enrichment ratios of 1-(2,7-dimethylimidazo[1,2-<i>a</i>]pyridin-3-yl)-2-(1,3-dithiolan-2-ylidene)ethanone monohydrate","Acta Crystallographica Section E","2019","75","12","1934","1939","10.1107/S2056989019015755","","","0.71073","MoKα","","0.0591","0.036","","","0.0884","0.1021","","","","","","1.041","","","","has coordinates,has disorder","244832","2020-10-21","18:00:00",""
"4031402","11.901","","11.901","","23.135","","90","","90","","90","","3276.7","","","","","","","","","","","","","2","I 41 c d","I 4bw -2c","110","","(B10 H13)2","","- B20 H26 -","- B20 H26 -","- B160 H208 -","8","0.5","","Boocock, S.K.; Kennedy, J.D.; Greenwood, N.N.; Staves, J.; McDonald, W.S.","The chemistry of isomeric icosaboranes, B20 H26. Molecular structures and physical characterization of 2,2'-Bi(nido-decaboranyl) and 2,6'-Bi(nido-decaboranyl)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","790","796","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031507","11.45","","11.45","","12.49","","90","","90","","90","","1637.47","","","","","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","Zr (Mo2 O7 (O H)2) (H2 O)2","","- H6 Mo2 O11 Zr -","- Mo2 O11 Zr -","- Mo16 O88 Zr8 -","8","0.5","","Clearfield, A.; Blessing, R.H.","The preparation and crystal structure of a basic zirconium molybdate and its relationship to ion exchange gels","Journal of Inorganic and Nuclear Chemistry","1972","34","","2643","2663","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4032373","20.00573","0.00015","20.00573","0.00015","13.20742","0.00018","90","","90","","90","","5286","0.09","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","2,3-dimethoxy-11H-indolo[3,2-c]quinoline","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.087","0.0878","","","","","","1.062","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4038431","28.371","0.002","28.371","0.002","7.9856","0.0006","90","","90","","90","","6427.7","0.8","100","2","100","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- C22 H18 O -","- C22 H18 O -","- C352 H288 O16 -","16","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.0472","0.0449","","","0.113","0.1148","","","","","","1.04","","","","has coordinates","252459","2020-10-21","18:00:00",""
"4060153","18.5194","0.0008","18.5194","0.0008","19.4228","0.0011","90","","90","","90","","6661.4","0.6","243","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H52 Cl2 Si2 Zr -","- C30 H52 Cl2 Si2 Zr -","- C240 H416 Cl16 Si16 Zr8 -","8","0.5","","","","Organometallics","2005","","","","","10.1021/om049273j","","","0.71073","MoKα","","0.0263","0.0207","","","0.0531","0.0553","","","","","","1.003","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4062751","31.0575","0.0014","31.0575","0.0014","18.4842","0.0012","90","","90","","90","","17829.3","1.6","133","2","133","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C45 H50 F3 N3 O5 Pd S -","- C45 H50 F3 N3 O5 Pd S -","- C720 H800 F48 N48 O80 Pd16 S16 -","16","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4071494","15.4927","0.0004","15.4927","0.0004","23.7644","0.0006","90","","90","","90","","5704","0.3","100","2","100","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C22 H45 Al Si4 -","- C22 H45 Al Si4 -","- C176 H360 Al8 Si32 -","8","0.5","","Uhl, Werner; Er, Elif; Hepp, Alexander; Kösters, Jutta; Grunenberg, Jörg","Reactions of Terminal Alkynes with a Bulky Dialkylaluminum Hydride: Hydroalumination versus Deprotonation","Organometallics","2008","27","14","3346","","10.1021/om800190f","","","1.54184","CuKα","","0.047","0.0419","","","0.0945","0.0961","","","","","","0.978","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4072965","16.3617","0.0001","16.3617","0.0001","19.3825","0.0003","90","","90","","90","","5188.8","0.09","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C24 H44 P2 Pd -","- C24 H44 P2 Pd -","- C192 H352 P16 Pd8 -","8","0.5","","Johansson, Roger; Wendt, Ola F.","Synthesis and Reactivity of (PCP) Palladium Hydroxy Carbonyl and Related Complexes toward CO2and Phenylacetylene","Organometallics","2007","26","9","2426","","10.1021/om0611709","","","0.71073","MoKα","","0.1079","0.0328","","","0.0695","0.0943","","","","","","1.017","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4074670","20.5223","0.0004","20.5223","0.0004","24.3873","0.0006","90","","90","","90","","10271.1","0.4","150","","150","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","[Ti(C5Me5)(N-2,6-C6H3Me2){MeC(N-iPr)2}]","","- C26 H41 N3 Ti -","- C26 H41 N3 Ti -","- C416 H656 N48 Ti16 -","16","1","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.0396","","","","0.0418","","","","","","1.0434","","","","has coordinates","209809","2020-10-21","18:00:00",""
"4075099","25.989","0.0009","25.989","0.0009","33.365","0.002","90","","90","","90","","22535.7","1.7","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C55 H68 B Cl2 Cu F4 N4 -","- C55 H68 B Cl2 Cu F4 N4 -","- C880 H1088 B16 Cl32 Cu16 F64 N64 -","16","1","","Díez-González, Silvia; Scott, Natalie M.; Nolan, Steven P.","Cationic Copper(I) Complexes as Efficient Precatalysts for the Hydrosilylation of Carbonyl Compounds","Organometallics","2006","25","9","2355","","10.1021/om0600487","","","0.71073","MoKα","","0.1081","0.0921","","","0.2125","0.2235","","","","","","1.112","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4076575","24.388","0.002","24.388","0.002","13.1383","0.0012","90","","90","","90","","7814.3","1.2","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","11105y","","","- C21 H18 Br O2 P W -","- C21 H18 Br O2 P W -","- C336 H288 Br16 O32 P16 W16 -","16","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0444","0.034","","","0.0674","0.0712","","","","","","1.003","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4079833","28.189","0.0006","28.189","0.0006","12.7454","0.0003","90","","90","","90","","10127.7","0.4","123","2","123","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C16 H44 Ga Na Si4 -","- C16 H44 Ga Na Si4 -","- C256 H704 Ga16 Na16 Si64 -","16","1","","Armstrong, David R.; Brammer, Elanor; Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.","Co-complexation Syntheses, Structural Characterization, and DFT Studies of a Novel Series of Polymeric Alkali-Metal Tetraorganogallates","Organometallics","2013","32","2","480","","10.1021/om3009469","","","0.71073","MoKα","","0.046","0.0339","","","0.0652","0.0704","","","","","","1.03","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4082014","16.8816","0.0008","16.8816","0.0008","23.874","","90","","90","","90","","6803.8","0.5","133","2","133","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C13 H22 B Cl2 N2 Sc -","- C13 H22 B Cl2 N2 Sc -","- C208 H352 B16 Cl32 N32 Sc16 -","16","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0253","0.0216","","","0.0526","0.0547","","","","","","1.083","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4084390","22.737","0.011","22.737","0.011","16.188","0.008","90","","90","","90","","8369","7","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C17 H21 Cl3 N Rh S -","- C17 H21 Cl3 N Rh S -","- C272 H336 Cl48 N16 Rh16 S16 -","16","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71073","MoKα","","0.0212","0.0184","","","0.0422","0.0451","","","","","","1.085","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084391","23.591","0.005","23.591","0.005","15.839","0.003","90","","90","","90","","8815","3","123","2","123","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C18 H21 Cl2 F3 N Rh S -","- C18 H21 Cl2 F3 N Rh S -","- C288 H336 Cl32 F48 N16 Rh16 S16 -","16","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.1","0.0755","","","0.1762","0.1925","","","","","","1.095","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084392","22.526","0.005","22.526","0.005","16.114","0.004","90","","90","","90","","8177","3","123","2","123","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C17 H21 Cl2 N2 O2 Rh S -","- C17 H21 Cl2 N2 O2 Rh S -","- C272 H336 Cl32 N32 O32 Rh16 S16 -","16","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.0841","0.0654","","","0.125","0.1332","","","","","","1.107","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4085210","18.7336","0.0014","18.7336","0.0014","20.9111","0.0016","90","","90","","90","","7338.7","1","200","2","200","2","","","","","","","","9","I 41 c d","I 4bw -2c","110","5b in manuscript","","","- C23 H43 B2 Cl4 F8 N2 O2 P2 Rh -","- C23 H43 B2 Cl4 F8 N2 O2 P2 Rh -","- C184 H344 B16 Cl32 F64 N16 O16 P16 Rh8 -","8","0.5","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0691","0.0448","","","0.0829","0.0931","","","","","","1.03","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085881","25.813","0.003","25.813","0.003","36.552","0.004","90","","90","","90","","24355","5","100","2","100","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C104 H60 B2 Cu2 F48 N10 -","- C104 H60 B2 Cu2 F48 N10 -","- C832 H480 B16 Cu16 F384 N80 -","8","0.5","","Saha, Sayantani; Kaur, Mandeep; Bera, Jitendra K.","Fluorinated Anions Promoted “on Water” Activity of Di- and Tetranuclear Copper(I) Catalysts for Functional Triazole Synthesis","Organometallics","2015","34","12","3047","","10.1021/acs.organomet.5b00348","","","0.71073","MoKα","","0.1205","0.0853","","","0.2177","0.2403","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086644","17.252","0.004","17.252","","14.344","0.004","90","","90","","90","","4269.2","1.5","110","","110","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C20 H24 Br2 N2 Pd -","- C20 H24 Br2 N2 Pd -","- C160 H192 Br16 N16 Pd8 -","8","0.5","","Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond","Organometallics","2016","35","16","2645","","10.1021/acs.organomet.6b00387","","","0.71073","MoKα","","0.0606","0.0321","","","0.0708","0.0789","","","","","","1.069","","","","has coordinates","186259","2020-10-21","18:00:00",""
"4103261","12.4649","0.0005","12.4649","0.0005","47.8243","0.0016","90","","90","","90","","7430.6","0.5","200","2","200","2","","","","","","","","2","I 41 c d","I 4bw -2c","110","Ph4-NDPL","","","- C60 H34 -","- C60 H34 -","- C480 H272 -","8","0.5","","Akihiro Shimizu; Takashi Kubo; Mikio Uruichi; Kyuya Yakushi; Masayoshi Nakano; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Yasushi Morita; Kazuhiro Nakasuji","Alternating Covalent Bonding Interactions in a One-Dimensional Chain of a Phenalenyl-Based Singlet Biradical Molecule Having Kekulé Structures","Journal of the American Chemical Society","2010","132","","14421","14428","10.1021/ja1037287","","","0.71075","MoKα","","0.1068","0.0666","","","0.1595","0.183","","","","","","1.055","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4104048","23.5028","0.0004","23.5028","0.0004","12.4607","0.0003","90","","90","","90","","6883.1","0.2","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","Zinc imidazolate 3D framework","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","","0.71073","MoKα","","0.0485","0.0276","","","0.0401","0.0428","","","","","","0.884","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104049","23.4856","0.0006","23.4856","0.0006","12.4521","0.0007","90","","90","","90","","6868.2","0.5","298","2","298","2","100","1","100","1","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2482","0.0757","","","0.0953","0.1303","","","","","","0.924","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104050","23.3569","0.0005","23.3569","0.0005","12.4441","0.0006","90","","90","","90","","6788.8","0.4","298","2","298","2","92000","5000","92000","5000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.1549","0.056","","","0.0594","0.0794","","","","","","0.839","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104051","23.2297","0.0004","23.2297","0.0004","12.4296","0.0005","90","","90","","90","","6707.2","0.3","298","2","298","2","295000","6000","295000","6000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2073","0.0552","","","0.0447","0.0584","","","","","","0.854","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104052","23.0474","0.0006","23.0474","0.0006","12.402","0.0007","90","","90","","90","","6587.7","0.4","298","2","298","2","543000","5000","547000","5000","","","","4","I 41 c d","I 4bw -2c","110","Zinc Imidazolate","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C192 H192 N128 Zn32 -","16","1","","Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard","Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study","Journal of the American Chemical Society","2009","131","","4022","4026","10.1021/ja808531m","","x-ray","0.71073","MoKα","","0.2677","0.0694","","","0.0818","0.1115","","","","","","0.87","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4107089","15.506","0.002","15.506","0.002","23.508","0.004","90","","90","","90","","5652.2","1.4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 Co2 N8 -","- C34 H36 Co2 N8 -","- C272 H288 Co16 N64 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0328","0.0282","","","0.0617","0.0638","","","","","","1.002","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107090","15.4762","0.0009","15.4762","0.0009","23.6634","0.0014","90","","90","","90","","5667.7","0.6","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C34 H36 N8 Ni2 -","- C34 H36 N8 Ni2 -","- C272 H288 N64 Ni16 -","8","0.5","","Elliott B. Hulley; Peter T. Wolczanski; Emil B. Lobkovsky","Carbon-Carbon Bond Formation from Azaallyl and Imine Couplings about Metal-Metal Bonds","Journal of the American Chemical Society","2011","133","","18058","18061","10.1021/ja207638h","","","0.71073","MoKα","","0.0559","0.0385","","","0.0846","0.0924","","","","","","0.998","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4114148","22.4373","0.0008","22.4373","0.0008","31.7568","0.0017","90","","90","","90","","15987.4","1.2","96","2","96","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C26.67 B0.76 Co0.76 Mg0.38 N1.52 O1.52 P2.29 -","- C70 B2 Co2 Mg N4 O4 P6 -","- C560 B16 Co16 Mg8 N32 O32 P48 -","8","0.5","","Theodore A. Betley; Jonas C. Peters","Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms","Journal of the American Chemical Society","2003","125","","10782","10783","10.1021/ja036687f","","","0.71073","MoKα","","0.2298","0.1044","","","0.1538","0.1681","","","","","","1.591","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4116983","20.888","0.001","20.888","0.001","20.532","0.001","90","","90","","90","","8958.3","0.7","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat","","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C208 H432 Fe32 I16 N48 Ni16 S64 -","8","0.5","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.049","0.0353","","0.0715","0.0655","","","","1.067","1.108","1.108","","","","","has coordinates","295978","2024-11-17","21:25:14",""
"4118386","23.684","0.003","23.684","0.003","16.094","0.003","90","","90","","90","","9028","2","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C25 H33 N3 O -","- C25 H33 N3 O -","- C400 H528 N48 O16 -","16","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2207","0.0725","","","0.1431","0.2163","","","","","","0.971","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4122836","16.843","0.003","16.843","0.003","28.286","0.005","90","","90","","90","","8024","2","140","2","140","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C45 H58 Co N4 -","- C45 H58 Co N4 -","- C360 H464 Co8 N32 -","8","0.5","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.0725","0.0377","","","0.0844","0.0997","","","","","","1.019","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4128171","45.776","0.004","45.776","0.004","14.458","0.0012","90","","90","","90","","30296","5","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C138 H90 B2 F40 Mn N9 O8 -","- C138 H90 B2 F40 Mn N9 O8 -","- C1104 H720 B16 F320 Mn8 N72 O64 -","8","0.5","","Hunt, Camden; Peterson, Madeline; Anderson, Cassidy; Chang, Tieyan; Wu, Guang; Scheiner, Steve; Ménard, Gabriel","Switchable Aromaticity in an Isostructural Mn Phthalocyanine Series Isolated in Five Separate Redox States.","Journal of the American Chemical Society","2019","141","6","2604","2613","10.1021/jacs.8b12899","","","0.41328","synchrotron","","0.0734","0.0677","","","0.1884","0.1981","","","","","","0.955","","","","has coordinates","221309","2020-10-21","18:00:00",""
"4128636","23.4856","0.0011","23.4856","0.0011","12.4606","0.0006","90","","90","","90","","6872.9","0.6","300","2","300","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0698","0.0425","","","0.1102","0.1347","","","","","","1.046","","","","has coordinates","221717","2020-10-21","18:00:00",""
"4128639","23.549","0.005","23.549","0.005","12.446","0.002","90","","90","","90","","6902","2","400","2","400","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0903","0.0411","","","0.1071","0.1359","","","","","","0.961","","","","has coordinates","221720","2020-10-21","18:00:00",""
"4128640","23.4363","0.0006","23.4363","0.0006","12.4615","0.0003","90","","90","","90","","6844.6","0.3","200","2","200","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0579","0.0396","","","0.102","0.1192","","","","","","1.028","","","","has coordinates","221721","2020-10-21","18:00:00",""
"4128653","23.3963","0.0006","23.3963","0.0006","12.4649","0.0003","90","","90","","90","","6823.1","0.3","100","2","100","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C192 H192 Co32 N128 -","32","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0225","0.0204","","","0.0533","0.0577","","","","","","1.123","","","","has coordinates","221734","2020-10-21","18:00:00",""
"4306457","16.34","0.003","16.34","0.003","29.97","0.002","90","","90","","90","","8002","2","130","2","130","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C29 H73 Li3 O5 Sc2 -","- C29 H73 Li3 O5 Sc2 -","- C232 H584 Li24 O40 Sc16 -","8","0.5","","Mathias U. Kramer; Dominique Robert; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Ahmed Yahia; Laurent Maron; Odile Eisenstein; Jun Okuda","Cationic Methyl Complexes of the Rare-Earth Metals: An Experimental and Computational Study on Synthesis, Structure, and Reactivity","Inorganic Chemistry","2008","47","","9265","9278","10.1021/ic801259n","","","0.71073","MoKα","","0.0708","0.0585","","","0.1557","0.1679","","","","","","1.064","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4309711","16.675","0.003","16.675","0.003","13.222","0.003","90","","90","","90","","3676.5","1.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C7 H7 N O7 Zn -","- C7 H7 N O7 Zn -","- C112 H112 N16 O112 Zn16 -","16","1","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0665","0.0589","","","0.1468","0.1518","","","","","","1.043","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4310522","19.961","0.003","19.961","0.003","19.041","0.004","90","","90","","90","","7587","2","203","2","203","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C32 H58 Cu N2 O8 P2 -","- C32 H58 Cu N2 O8 P2 -","- C256 H464 Cu8 N16 O64 P16 -","8","0.5","","Ramaswamy Murugavel; Malaichamy Sathiyendiran; Ramasamy Pothiraja; Mrinalini G. Walawalkar; Talal Mallah; Eric Riviére","Monomeric, Tetrameric, and Polymeric Copper Di-tert-butyl Phosphate Complexes Containing Pyridine Ancillary Ligands","Inorganic Chemistry","2004","43","","945","953","10.1021/ic0349508","","","0.71073","MoKα","","0.0449","0.0436","","","0.1123","0.1139","","","","","","1.092","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4317889","17.52","0.004","17.52","","16.79","0.007","90","","90","","90","","5154","2","150","1","150","1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C6 H12 As Cl3 S3 -","- C6 H12 As Cl3 S3 -","- C96 H192 As16 Cl48 S48 -","16","1","","Nicholas J. Hill; William Levason; Gillian Reid","Arsenic(III) Halide Complexes with Acyclic and Macrocyclic Thio- and Selenoether Coligands: Synthesis and Structural Properties","Inorganic Chemistry","2002","41","","2070","2076","10.1021/ic011139t","","","0.71073","MoKα","","0.0401","0.0356","","","0.0936","0.0963","","","","","","1.055","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4322672","11.255","0.002","11.255","0.002","10.75","0.002","90","","90","","90","","1361.8","0.4","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","Zirconium Hydrogen Phosphate","Zirconium Bis(hydrogenorthophosphate)","","- H2 O8 P2 Zr -","- H2 O8 P2 Zr -","- H16 O64 P16 Zr8 -","8","0.5","","Anne Marie Krogh Andersen; Poul Norby; Jonathan C. Hanson; Tom Vogt","Preparation and Characterization of a New 3-Dimensional Zirconium Hydrogen Phosphate, τ-Zr(HPO~4~)~2~. Determination of the Complete Crystal Structure Combining Synchrotron X-ray Single-Crystal Diffraction and Neutron Powder Diffraction","Inorganic Chemistry","1998","37","","876","881","10.1021/ic971060h","","","0.954","synchrotronX-ray","","0.0369","0.0354","","0.0925","0.0907","","","","0.796","0.818","0.818","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4331085","24.293","0.002","24.293","0.002","34.827","0.003","90","","90","","90","","20553","3","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C43 H59 B Cl8 N4 Si2 Zr -","- C43 H59 B Cl8 N4 Si2 Zr -","- C688 H944 B16 Cl128 N64 Si32 Zr16 -","16","1","","Heiko Kulinna; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Cationic Zirconium Hydrides Supported by an NNNN-Type Macrocyclic Ligand: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2012","51","","12462","12472","10.1021/ic301880z","","","0.71073","MoKα","","0.1179","0.074","","","0.167","0.1875","","","","","","0.921","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4332907","19.5273","0.0014","19.5273","0.0014","12.1908","0.0012","90","","90","","90","","4648.5","0.7","273","2","273","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C3 H10 Fe N2 O10 S2 -","- C3 H10 Fe N2 O10 S2 -","- C48 H160 Fe16 N32 O160 S32 -","16","1","","Fu, Yunlong; Xu, Zhiwei; Ren, Jialin; Wu, Haishun; Yuan, Rong","Organically Directed Iron Sulfate Chains: Structural Diversity Based on Hydrogen Bonding Interactions","Inorganic Chemistry","2006","45","20","8452","8458","10.1021/ic061059v","","","0.71073","MoKα","","0.0768","0.0644","","","0.1532","0.1603","","","","","","1.074","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4336169","34.044","0.005","34.044","0.005","7.401","0.005","90","","90","","90","","8578","6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C15 H19 I2 O6 Ru -","- C15 H19 I2 O6 Ru -","- C240 H304 I32 O96 Ru16 -","16","1","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0685","0.0549","","","","0.1468","","","","","","1.018","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4338608","16.1519","0.0004","16.1519","0.0004","19.1801","0.0005","90","","90","","90","","5003.8","0.2","228","2","228","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C24 H44 Ni P2 -","- C24 H44 Ni P2 -","- C192 H352 Ni8 P16 -","8","0.5","","Boro, Brian J.; Duesler, Eileen N.; Goldberg, Karen I.; Kemp, Richard A.","Synthesis, Characterization, and Reactivity of Nickel Hydride Complexes Containing 2,6-C6H3(CH2PR2)2(R = tBu,cHex, and iPr) Pincer Ligands","Inorganic Chemistry","2009","48","12","5081","5087","10.1021/ic8020194","","","0.71073","MoKα","","0.0408","0.0305","","","0.0766","0.0843","","","","","","1.02","","","","has coordinates","210045","2020-10-21","18:00:00",""
"4343675","13.62","","13.62","","9.1","","90","","90","","90","","1688.09","","","","","","","","","","","","","3","I 41 c d","I 4bw -2c","110","","Be (B H4)2","","- B2 Be H8 -","- B2 Be H8 -","- B32 Be16 H128 -","16","1","","Marynick, D.S.; Lipscomb, W.N.","Crystal structure of beryllium borohydride","Inorganic Chemistry","1972","11","","820","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4346162","17.143","0.0001","17.143","0.0001","49.0687","0.0006","90","","90","","90","","14420.4","0.2","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C68 H52 Ir2 N8 O12 Zn -","- C68 H52 Ir2 N8 O12 Zn -","- C544 H416 Ir16 N64 O96 Zn8 -","8","0.5","","Li, Lina; Zhang, Shuquan; Xu, Yingying; Zhao, Sangen; Sun, Zhihua; Luo, Junhua","Dynamic entangled framework based on an iridium-organic unit showing reversible luminescence turn-on sensing.","Inorganic chemistry","2015","54","18","8872","8874","10.1021/acs.inorgchem.5b00682","","","1.54184","CuKα","","0.0371","0.0347","","","0.0911","0.0934","","","","","","1.105","","","","has coordinates","231635","2020-10-21","18:00:00",""
"4347760","21.082","0.002","21.082","0.002","11.5882","0.0012","90","","90","","90","","5150.4","0.9","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","2(thf)","","","- C28 H30 N2 P2 Sn -","- C28 H30 N2 P2 Sn -","- C224 H240 N16 P16 Sn8 -","8","0.5","","Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars","Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.","Inorganic chemistry","2016","55","9","4669","4675","10.1021/acs.inorgchem.6b00573","","","0.71073","MoKα","","0.0278","0.0175","","","0.0268","0.0279","","","","","","1.142","","","","has coordinates","232489","2020-10-21","18:00:00",""
"4348424","20.0956","0.0007","20.0956","0.0007","18.3456","0.0007","90","","90","","90","","7408.6","0.5","173","2","173","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C18 H20 Br N4 P -","- C18 H20 Br N4 P -","- C288 H320 Br16 N64 P16 -","16","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","0.71073","MoKα","","0.0374","0.0258","","","0.0494","0.0535","","","","","","1.059","","","","has coordinates","232909","2020-10-21","18:00:00",""
"4502962","28.6528","0.0013","28.6528","0.0013","14.0756","0.0007","90","","90","","90","","11555.8","0.9","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 Co N4 -","- C32 H28 Br2 Co N4 -","- C512 H448 Br32 Co16 N64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.053","0.0302","","","0.0418","0.0435","","","","","","0.882","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502963","29.0776","0.0004","29.0776","0.0004","14.2124","0.0003","90","","90","","90","","12016.7","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Co I2 N4 -","- C32 H28 Co I2 N4 -","- C512 H448 Co16 I32 N64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0325","0.0297","","","0.0665","0.0686","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502964","28.4928","0.0007","28.4928","0.0007","14.1575","0.0005","90","","90","","90","","11493.6","0.6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Co N6 O4 -","- C32 H28 Co N6 O4 -","- C512 H448 Co16 N96 O64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0464","0.0332","","","0.065","0.0675","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502973","28.6569","0.0004","28.6569","0.0004","14.1002","0.0002","90","","90","","90","","11579.3","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Zn -","- C32 H28 Br2 N4 Zn -","- C512 H448 Br32 N64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0411","0.0336","","","0.0695","0.071","","","","","","0.985","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502974","29.0876","0.0003","29.0876","0.0003","14.2312","0.0003","90","","90","","90","","12040.9","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 I2 N4 Zn -","- C32 H28 I2 N4 Zn -","- C512 H448 I32 N64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0267","0.0239","","","0.0529","0.0548","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502975","28.4382","0.0005","28.4382","0.0005","14.2749","0.0004","90","","90","","90","","11544.6","0.4","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 N6 O4 Zn -","- C32 H28 N6 O4 Zn -","- C512 H448 N96 O64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0416","0.035","","","0.0861","0.0875","","","","","","1.07","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4514151","16.7238","0.0018","16.7238","0.0018","23.136","0.003","90","","90","","90","","6470.8","1.3","93","","93","","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C13 H22 F3 Ir N2 O2 S -","- C13 H21 F3 Ir N2 O2 S -","- C208 H336 F48 Ir16 N32 O32 S16 -","16","1","","Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","A Bifunctional Iridium Catalyst Modified for Persistent Hydrogen Generation from Formic Acid: Understanding Deactivation via Cyclometalation of a 1,2-Diphenylethylenediamine Motif","ACS Catalysis","2017","","","4479","","10.1021/acscatal.7b01068","","","0.71075","MoKα","","","0.0234","","","","0.0574","","","","","","1","","","","has coordinates","197576","2020-10-21","18:00:00",""
"6000655","11.259","","11.259","","10.764","","90","","90","","90","","1364.5","","","","","","","","","","","","","4","I 41 c d","","","","","","- H2 O8 P2 Zr -","","","","","","Andersen, A. M. K.; Norby, P.; Hanson, J. C.; Vogt, T.","Preparation and characterization of a new 3-dimensional zirconium hydrogen phosphate, tau-Zr(HPO4)(2). Determination of the complete crystal structure combining synchrotron x-ray single-crystal diffraction and neutron powder diffraction","Inorganic Chemistry","1998","37","","876","881","10.1021/ic971060h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7002572","18.7075","0.0005","18.7075","0.0005","36.1564","0.0014","90","","90","","90","","12653.7","0.7","110","2","110","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C62 H90 Al2 O4 S4 -","- C62 H90 Al2 O4 S4 -","- C496 H720 Al16 O32 S32 -","8","0.5","","Lian, Bing; Ma, Haiyan; Spaniol, Thomas P.; Okuda, Jun","Neutral and cationic aluminium complexes containing a chiral (OSSO)-type bis(phenolato) ligand: synthesis, structures and polymerization activity","Dalton Transactions","2009","","41","9033","9042","10.1039/b909287k","","","0.71073","MoKα","","0.1325","0.1051","","","0.2029","0.2179","","","","","","1.124","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002996","29.5958","0.0008","29.5958","0.0008","15.2531","0.0004","90","","90","","90","","13360.4","0.6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C108 H148 N64 O8 Ru8 -","- C108 H148 N64 O8 Ru8 -","- C432 H592 N256 O32 Ru32 -","4","0.25","","Sun, Raymond Wai-Yin; Ng, Miro Fei-Yeung; Wong, Ella Lai-Ming; Zhang, Jingfei; Chui, Stephen Sin-Yin; Shek, Lam; Lau, Tai-Chu; Che, Chi-Ming","Dual anti-angiogenic and cytotoxic properties of ruthenium(iii) complexes containing pyrazolato and/or pyrazole ligands","Dalton Transactions","2009","","48","10712","10716","10.1039/b912236b","","","1.54178","CuKα","","0.0593","0.0592","","","0.1504","0.1506","","","","","","1.038","","","","has coordinates,has disorder","179733","2020-10-21","18:00:00",""
"7003267","11.6779","0.0006","11.6779","0.0006","35.091","0.003","90","","90","","90","","4785.5","0.5","120","2","120","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C22 H44 N4 Ni -","- C22 H44 N4 Ni -","- C176 H352 N32 Ni8 -","8","0.5","","Danopoulos, Andreas A.; Pugh, David","A method for the synthesis of nickel(0) bis(carbene) complexes","Dalton Transactions","2008","","1","30","","10.1039/b714988c","","","0.71073","MoKα","","0.1093","0.0863","","","0.1759","0.1837","","","","","","1.214","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7008874","21.635","0.004","21.635","0.004","26.662","0.005","90","","90","","90","","12480","4","223","2","223","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C58 H92 Li2 N3 Nd O4 Si2 -","- C58 H92 Li2 N3 Nd O4 Si2 -","- C464 H736 Li16 N24 Nd8 O32 Si16 -","8","0.5","","Lu, Min; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of anionic rare-earth metal amides stabilized by phenoxy-amido ligands and their catalytic behavior for the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9530","9537","10.1039/c0dt00025f","","","0.71075","MoKα","","0.0731","0.058","","","0.1006","0.1064","","","","","","1.176","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008875","21.5715","0.0019","21.5715","0.0019","26.577","0.003","90","","90","","90","","12367","2","223","2","223","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C58 H92 Li2 N3 O4 Si2 Sm -","- C58 H92 Li2 N3 O4 Si2 Sm -","- C464 H736 Li16 N24 O32 Si16 Sm8 -","8","0.5","","Lu, Min; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of anionic rare-earth metal amides stabilized by phenoxy-amido ligands and their catalytic behavior for the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9530","9537","10.1039/c0dt00025f","","","0.71075","MoKα","","0.0826","0.0627","","","0.0937","0.1011","","","","","","1.171","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008876","21.5166","0.0011","21.5166","0.0011","26.4564","0.0016","90","","90","","90","","12248.4","1.2","223","2","223","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C58 H92 Li2 N3 O4 Si2 Yb -","- C58 H70 Li2 N3 O4 Si2 Yb -","- C464 H560 Li16 N24 O32 Si16 Yb8 -","8","0.5","","Lu, Min; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of anionic rare-earth metal amides stabilized by phenoxy-amido ligands and their catalytic behavior for the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9530","9537","10.1039/c0dt00025f","","","0.71075","MoKα","","0.0637","0.0563","","","0.1765","0.1821","","","","","","1.132","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008877","21.5684","0.0013","21.5684","0.0013","26.5034","0.0016","90","","90","","90","","12329.3","1.3","223","2","223","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C58 H92 Li2 N3 O4 Si2 Y -","- C58 H92 Li2 N3 O4 Si2 Y -","- C464 H736 Li16 N24 O32 Si16 Y8 -","8","0.5","","Lu, Min; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of anionic rare-earth metal amides stabilized by phenoxy-amido ligands and their catalytic behavior for the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9530","9537","10.1039/c0dt00025f","","","0.71075","MoKα","","0.0705","0.0501","","","0.1116","0.1214","","","","","","1.037","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7010163","13.5324","0.0004","13.5324","0.0004","24.499","0.002","90","","90","","90","","4486.4","0.4","293","2","293","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C14 H24 Fe3 N2 O2 S6 -","- C14 H24 Fe3 N2 O2 S6 -","- C112 H192 Fe24 N16 O16 S48 -","8","0.5","","Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Iron, cobalt and vanadium complexes of the N(CH2CH2S)33− ligand with chloride, azide, cyanide and carbonyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","24","4694","","10.1039/b006591i","","","0.71069","Mo-Kα","","0.0293","0.0228","","0.0463","0.044","","","","0.99","1.016","1.016","","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010164","13.5277","0.0005","13.5277","0.0005","24.414","0.005","90","","90","","90","","4467.7","0.9","293","2","293","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C14 H24 Co Fe2 N2 O2 S6 -","- C14 H24 Co Fe2 N2 O2 S6 -","- C112 H192 Co8 Fe16 N16 O16 S48 -","8","0.5","","Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Iron, cobalt and vanadium complexes of the N(CH2CH2S)33− ligand with chloride, azide, cyanide and carbonyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","24","4694","","10.1039/b006591i","","","0.71069","Mo-Kα","","0.0417","0.0298","","0.0518","0.0478","","","","0.951","0.995","0.995","","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010703","13.5088","0.0004","13.5088","0.0004","24.371","0.002","90","","90","","90","","4447.4","0.4","293","2","293","1","","","","","","","","7","I 41 c d","I 4bw -2c","110","Complex 1","","","- C14 H24 Fe2 N2 Ni O2 S6 -","- C14 H24 Fe2 N2 Ni O2 S6 -","- C112 H192 Fe16 N16 Ni8 O16 S48 -","8","0.5","","Smith, Matt C.; Longhurst, Steven; Barclay, J. Elaine; Cramer, Stephen P.; Davies, Sian C.; Hughes, David L.; Gu, Wei-Wei; Evans, David J.","Nickel(II) in an almost regular tetrahedral thiolate environment: a first generation synthetic analogue of the active site of nickel CO-dehydrogenase","Journal of the Chemical Society, Dalton Transactions","2001","","9","1387","","10.1039/b102607k","","","0.71069","Mo-Kα","","0.0665","0.0565","","0.1372","0.1268","","","","1.078","1.123","1.123","","","","","has coordinates","179811","2020-10-21","18:00:00",""
"7011939","22.366","0.005","22.366","0.005","13.311","0.002","90","","90","","90","","6659","2","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C14 H11 Fe N8 O1.5 -","- C14 H8 Fe N8 O1.5 -","- C224 H128 Fe16 N128 O24 -","16","1","","Susana Martín; M. Gotzone Barandika; J. M. Ezpeleta; Roberto Cortés; J. I. Ruiz de Larramendi; Luis Lezama; Teófilo Rojo","Structural analysis and magnetic properties of the 1D [Fe(dca)2bipy(H2O)]·1/2H2O and the 3D [Ni(dca)2bipy] (dca = dicyanamide; bipy = 4,4'-bipyridine)","J. Chem. Soc., Dalton Trans.","2002","","22","4275","4280","10.1039/b206069h","","","0.71073","MoKα","","0.0954","0.0458","","","0.1086","0.1284","","","","","","0.648","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015690","16.044","0.007","16.044","0.008","19.529","0.01","90","","90","","90","","5027","4","150","2","150","2","","","","","","","synthesis as described","5","I 41 c d","I 4bw -2c","110","","","","- C24 H43 F Ni P2 -","- C24 H43 F Ni P2 -","- C192 H344 F8 Ni8 P16 -","8","0.5","","Rossin, Andrea; Peruzzini, Maurizio; Zanobini, Fabrizio","Nickel(II) hydride and fluoride pincer complexes and their reactivity with Lewis acids BX3·L (X = H, L = thf; X = F, L = Et2O).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4447","4452","10.1039/c0dt01836h","","x-ray","0.71069","MoKα","","0.0595","0.0304","","","0.0648","0.0702","","","","","","0.86","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7018979","30.5983","0.0018","30.5983","0.0018","35.422","0.003","90","","90","","90","","33164","4","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C36 H198 Co10 Ge8 N36 O119 V32 -","- C36 H198 Co10 Ge8 N36 O119 V32 -","- C288 H1584 Co80 Ge64 N288 O952 V256 -","8","0.5","","Gao, Yuanzhe; Xu, Yanqing; Huang, Kunlin; Han, Zhangang; Hu, Changwen","Two three-dimensional {V16Ge4}-based open frameworks stabilized by diverse types of CoII-amine bridges and magnetic properties","Dalton Transactions","2012","41","20","6122","","10.1039/c2dt30199g","","","0.71073","MoKα","","0.0768","0.06","","","0.1625","0.179","","","","","","1.057","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019071","25.2188","0.0013","25.219","0.002","9.39","0.0017","90","","90","","90","","5972","1.2","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C12 H17 Cl3 O Ti -","- C12.006 H17.006 Cl3 O Ti -","- C192.096 H272.096 Cl48 O16 Ti16 -","16","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.77506","Synchrotron","","0.0346","0.0344","","","0.0857","0.0859","","","","","","1.075","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7021531","21.534","0.002","21.534","0.002","26.604","0.002","90","","90","","90","","12336.6","1.9","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Y -","- C56 H64 Cl2 Li2 N3 O4 Si2 Y -","- C448 H512 Cl16 Li16 N24 O32 Si16 Y8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0801","0.0644","","","0.1572","0.1693","","","","","","1.09","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021532","21.4729","0.0017","21.4729","0.0017","26.555","0.002","90","","90","","90","","12244.1","1.7","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Yb -","- C56 H64 Cl2 Li2 N3 O4 Si2 Yb -","- C448 H512 Cl16 Li16 N24 O32 Si16 Yb8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0576","0.042","","","0.1266","0.1398","","","","","","1.005","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021533","21.645","0.002","21.645","0.002","26.471","0.003","90","","90","","90","","12402","2","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 O4 Si2 Y -","- C56 H86 Br2 Li2 N3 O4 Si2 Y -","- C448 H688 Br16 Li16 N24 O32 Si16 Y8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.1149","0.0754","","","0.1904","0.2201","","","","","","1.004","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021534","21.5857","0.0011","21.5857","0.0011","26.4362","0.0014","90","","90","","90","","12317.7","1.1","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 O4 Si2 Yb -","- C56 H84 Br2 Li2 N3 O4 Si2 Yb -","- C448 H672 Br16 Li16 N24 O32 Si16 Yb8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0611","0.0489","","","0.1246","0.1347","","","","","","0.895","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7023214","15.795","0.002","15.795","0.002","27.87","0.006","90","","90","","90","","6953.1","1.9","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C24 H40 Cl2 Cu N8 O8 -","- C24 H40 Cl2 Cu N8 O8 -","- C192 H320 Cl16 Cu8 N64 O64 -","8","0.5","","Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno; Trentin, Ivan","The Goldilocks principle in action: synthesis and structural characterization of a novel {Cu4(μ3-OH)4} cubane stabilized by monodentate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12265","12273","10.1039/c3dt51017d","","","0.71073","MoKα","","0.0714","0.0356","","","0.0784","0.0896","","","","","","0.856","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7028090","23.132","0.002","23.132","0.002","7.572","0.001","90","","90","","90","","4051.7","0.7","130","0.1","130","0.2","","","","","","","","4","I 41 c d","I 4bw -2c","110","1-ferrocenylethanol","","","- C12 H14 Fe O -","- C12 H14 Fe O -","- C192 H224 Fe16 O16 -","16","1","","R. Pool, Brett; Sun, Chee-Chung; M. White, Jonathan","Influence of the ferrocene substituent on C‒O bonds at the α position. Results from low-temperature X-ray structural studies","Journal of the Chemical Society, Dalton Transactions","1998","","8","1269","","10.1039/a801652f","","","0.71069","MoKα","","0.0262","0.0225","","0.0555","0.0537","","","","0.981","0.988","0.988","","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7030095","16.6765","0.0014","16.6765","0.0014","32.62","0.006","90","","90","","90","","9072","2","296","2","296","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C22.5 H15 Br2 Cl2 Ir N2 -","- C22.5 H15 Br2 Cl2 Ir N2 -","- C360 H240 Br32 Cl32 Ir16 N32 -","16","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.0545","0.0444","","","0.1087","0.1135","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031983","28.2516","0.0007","28.2516","0.0007","17.7052","0.0009","90","","90","","90","","14131.5","0.9","120","2","120","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C31 H30 F12 Mn N2 O6 P -","- C31 H30 F12 Mn N2 O6 P -","- C496 H480 F192 Mn16 N32 O96 P16 -","16","1","","Reis, Samira G.; Del Águila-Sánchez, Miguel A; Guedes, Guilherme P.; Ferreira, Glaucio B.; Novak, Miguel A.; Speziali, Nivaldo L.; López-Ortiz, Fernando; Vaz, Maria G. F.","Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = Cu(II), Co(II) and Mn(II)).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14889","14901","10.1039/c4dt01444h","","","0.71073","MoKα","","0.0758","0.051","","","0.12","0.1624","","","","","","1.064","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031984","28.414","0.004","28.414","0.004","18.162","0.004","90","","90","","90","","14663","4","293","2","293","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C31 H30 Co F12 N2 O6 P -","- C31 H30 Co F12 N2 O6 P -","- C496 H480 Co16 F192 N32 O96 P16 -","16","1","","Reis, Samira G.; Del Águila-Sánchez, Miguel A; Guedes, Guilherme P.; Ferreira, Glaucio B.; Novak, Miguel A.; Speziali, Nivaldo L.; López-Ortiz, Fernando; Vaz, Maria G. F.","Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = Cu(II), Co(II) and Mn(II)).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14889","14901","10.1039/c4dt01444h","","","0.71073","MoKα","","0.0826","0.0528","","","0.1211","0.1466","","","","","","1.121","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7034481","11.9604","0.0009","11.9604","0.0009","29.871","0.004","90","","90","","90","","4273.1","0.7","296","2","296","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C200 H192 N32 O16 -","8","0.5","","Shi, Pengfei; Jiang, Qin; Zhao, Xuesong; Zhang, Qiong; Tian, Yupeng","Study of the one-photon and two-photon properties of two water-soluble terpyridines and their zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8041","8048","10.1039/c5dt00449g","","","0.71073","MoKα","","0.097","0.064","","","0.1813","0.2162","","","","","","1.025","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034820","23.913","0.0003","23.913","0.0003","13.699","0.003","90","","90","","90","","7833.5","1.7","198","2","198","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C15 H12 Br2 N8 Pd -","- C15 H12 Br2 N8 Pd -","- C240 H192 Br32 N128 Pd16 -","16","1","","Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas","Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9391","9399","10.1039/c5dt01067e","","","0.71073","MoKα","","0.0394","0.0331","","","0.0736","0.0764","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035721","16.545","0.005","16.545","0.005","36.72","0.02","90","","90","","90","","10052","7","296","2","296","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C44 H43 Cl Fe2 N6 O9 -","- C44 H43 Cl Fe2 N6 O9 -","- C352 H344 Cl8 Fe16 N48 O72 -","8","0.5","","Sun, Ying-Ji; Huang, Qian-Qian; Li, Pei; Zhang, Jian-Jun","Catalytic dioxygenation of flavonol by M(II)-complexes (M = Mn, Fe, Co, Ni, Cu and Zn) - mimicking the M(II)-substituted quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13926","13938","10.1039/c5dt01760b","","","0.71073","MoKα","","0.1036","0.0757","","","0.1976","0.215","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7038349","15.8933","0.0005","15.8933","0.0005","30.318","0.0012","90","","90","","90","","7658.2","0.5","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C78 H51 Br2 Fe2 N5 -","- C39 H51 Br2 Fe2 N5 -","- C312 H408 Br16 Fe16 N40 -","8","0.5","","Gehring, Henrike; Metzinger, Ramona; Braun, Beatrice; Herwig, Christian; Harder, Sjoerd; Ray, Kallol; Limberg, Christian","An iron(ii) hydride complex of a ligand with two adjacent β-diketiminate binding sites and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2989","2996","10.1039/c5dt04266f","","","0.71073","MoKα","","0.0469","0.0371","","","0.0631","0.0661","","","","","","1.07","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7041177","20.2864","0.0003","20.2864","0.0003","36.4947","0.0009","90","","90","","90","","15019","0.5","113","2","113","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","Compound 7","Compound 7","","- C68 H88 F24 N2 O6 Sn2 -","- C68 H88 F24 N2 O6 Sn2 -","- C544 H704 F192 N16 O48 Sn16 -","8","0.5","","Tsukada, Satoru; O'Brien, Nathan J; Kano, Naokazu; Kawashima, Takayuki; Guo, Jing-Dong; Nagase, Shigeru","The synthesis and structure of a dianionic species with a bond between pentacoordinated tin atoms: bonding properties of the tin-tin bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19374","19379","10.1039/c6dt03503e","","","0.7107","MoKα","","0.0795","0.0784","","","0.2323","0.2334","","","","","","1.061","","","","has coordinates","190137","2020-10-21","18:00:00",""
"7047963","23.6034","0.0015","23.6034","0.0015","14.9526","0.0017","90","","90","","90","","8330.4","1.2","300","2","299.9","0.3","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C27 H24 F12 Fe N10 O5 Sb2 -","- C27 H24 F12 Fe N10 O5 Sb2 -","- C216 H192 F96 Fe8 N80 O40 Sb16 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","x-ray","0.71073","MoKα","","0.1756","0.0679","","","0.1328","0.1825","","","","","","0.957","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047964","23.3533","0.0003","23.3533","0.0003","14.3811","0.0003","90","","90","","90","","7843.1","0.2","120","2","120.05","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C30 H30 As2 F12 Fe N10 O6 -","- C30 H30 As2 F12 Fe N10 O6 -","- C240 H240 As16 F96 Fe8 N80 O48 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.0536","0.0391","","","0.0771","0.0854","","","","","","1.046","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047965","23.4653","0.0002","23.4653","0.0002","14.6485","0.0003","90","","90","","90","","8065.76","0.19","120","2","120","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C30 H30 F12 Fe N10 O6 Sb2 -","- C30 H30 F12 Fe N10 O6 Sb2 -","- C240 H240 F96 Fe8 N80 O48 Sb16 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.037","0.0315","","","0.0727","0.0773","","","","","","1.114","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047967","23.4197","0.0009","23.4197","0.0009","14.6422","0.0008","90","","90","","90","","8031","0.6","300","2","300","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C27 H24 As2 F12 Fe N10 O5 -","- C27 H24 As2 F12 Fe N10 O5 -","- C216 H192 As16 F96 Fe8 N80 O40 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.139","0.0609","","","0.1421","0.1845","","","","","","0.962","","","","has coordinates,has disorder","229682","2020-10-21","18:00:00",""
"7050057","30.392","0.004","30.392","0.004","15.737","0.004","90","","90","","90","","14536","5","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C36 H26 Eu2 O16 -","- C36 H18 Eu2 O16 -","- C576 H288 Eu32 O256 -","16","1","","Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe","Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate","New Journal of Chemistry","2005","29","6","798","","10.1039/b415337e","","","0.71073","MoKα","","0.0679","0.0387","","","0.0586","0.0657","","","","","","1.03","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050058","30.408","0.005","30.408","0.005","15.747","0.005","90","","90","","90","","14560","6","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C36 H25 Gd2 O15.5 -","- C36 H18 Gd2 O15.5 -","- C576 H288 Gd32 O248 -","16","1","","Zheng, Xiang-Jun; Jin, Lin-Pei; Gao, Song; Lu, Shao-Zhe","Second ligand-directed self-assembly of lanthanide(iii) coordination polymers with 1,4-naphthalenedicarboxylate","New Journal of Chemistry","2005","29","6","798","","10.1039/b415337e","","","0.71073","MoKα","","0.065","0.0362","","","0.0548","0.0623","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050783","10.6062","0.0002","10.6062","0.0002","31.1002","0.0008","90","","90","","90","","3498.51","0.13","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","bia(4-aminopyridine)bis(acetato)copper(II)","","- C14 H18 Cu N4 O4 -","- C14 H18 Cu N4 O4 -","- C112 H144 Cu8 N32 O32 -","8","0.5","","Lah, Nina; Koller, Joze; Giester, Gerald; Segedin, Primoz; Leban, Ivan","Copper(II) carboxylates with 4-aminopyridine: neutral mononuclear structures, isomerism of aceto compounds and a novel tetranuclear structure","New Journal of Chemistry","2002","26","7","933","","10.1039/b110051c","","","0.71073","MoKα","","0.0485","0.0424","","","0.1291","0.1371","","","","","","1.138","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051133","19.49","0.005","19.49","0.005","16.508","0.007","90","","90","","90","","6271","3","295","","295","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C26 H32 Cl2 Co N4 O12 -","- C26 H32 Cl2 Co0.5 N4 O11 -","- C208 H256 Cl16 Co4 N32 O88 -","8","0.5","","De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real","Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O","New Journal of Chemistry","2001","","","","","","","","","","","","7.18","","","7.66","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7053186","28.4278","0.0006","28.4278","0.0006","17.0604","0.0004","90","","90","","90","","13787.2","0.5","100","2","100","2","","","","","","","synthesis as described","7","I 41 c d","I 4bw -2c","110","","","","- C37 H30 F6 N5 O1.5 P2 Ru -","- C37 H30 F6 N5 O1.5 P2 Ru -","- C592 H480 F96 N80 O24 P32 Ru16 -","16","1","","Sylvain, Rémy; Vendier, Laure; Bijani, Christian; Santoro, Antonio; Puntoriero, Fausto; Campagna, Sebastiano; Sutra, Pierre; Igau, Alain","Evidence of the unprecedented conversion of intermolecular proton to water bridging of two phosphoryl ruthenium complexes","New Journal of Chemistry","2013","37","11","3543","","10.1039/c3nj00522d","","","0.71073","MoKα","","0.0195","0.0163","","","0.0349","0.036","","","","","","1.056","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054061","28.5279","0.0003","28.5279","0.0003","41.3731","0.0006","90","","90","","90","","33671.1","0.7","120","2","120","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C91 H108 Cl5 Fe8 N59 O30 S11 -","- C91 H96 Cl5 Fe8 N59 O30 S11 -","- C728 H768 Cl40 Fe64 N472 O240 S88 -","8","0.5","","Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra","Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands","New Journal of Chemistry","2014","38","5","2105","","10.1039/c3nj01516e","","","0.71073","MoKα","","0.2154","0.1109","","","0.2758","0.347","","","","","","1.01","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7056045","13.894","0.0004","13.894","0.0004","28.8987","0.001","90","","90","","90","","5578.7","0.3","203","2","203","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C27 H28 N4 O10 Zn2 -","- C27 H28 N4 O10 Zn2 -","- C216 H224 N32 O80 Zn16 -","8","0.5","","Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen","Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks","New J. Chem.","2017","41","8","2980","","10.1039/C7NJ00188F","","","0.71073","MoKα","","0.0234","0.0211","","","0.049","0.0496","","","","","","1.04","","","","has coordinates","196487","2020-10-21","18:00:00",""
"7061944","22.1489","0.0005","22.1489","0.0005","14.1421","0.0003","90","","90","","90","","6937.7","0.3","193","2","193","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C14 H20 F6 N2 O Pd -","- C14 H20 F6 N2 O Pd -","- C224 H320 F96 N32 O16 Pd16 -","16","1","","Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong","Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes","New Journal of Chemistry","2022","46","43","20760","20767","10.1039/D2NJ04198G","","","0.71073","MoKα","","0.0193","0.0178","","","0.0412","0.042","","","","","","1.068","","","","has coordinates,has disorder","280186","2023-01-06","09:51:35",""
"7104020","27.619","0.003","27.619","0.003","8.6029","0.0011","90","","90","","90","","6562.5","1.3","223","2","223","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","3,3',5,5'-Tetramethyl-4,4'-Bipyrazole, Tetragonal form (","3,3',5,5'-Tetramethyl-4,4'-Bipyrazole, Tetragonal form (#3)","","- C10 H14 N4 -","- C10 H14 N4 -","- C240 H336 N96 -","24","1.5","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Blaurock, Steffen; Domasevitch, Konstantin V.","Construction of extended networks with a trimeric pyrazole synthon","Chemical Communications (Cambridge, United Kingdom)","2003","","6","740","741","10.1039/b212540d","","","0.71073","MoKα","","0.0658","0.0461","","0.1256","0.1034","","","","1.164","1.189","1.189","","","","","has coordinates","210466","2020-10-21","18:00:00",""
"7107201","23.394","0.004","23.394","0.004","49.524","0.009","90","","90","","90","","27103","8","110","2","110","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C24 H15 Co N2 O4.5 -","- C24 H15 Co N2 O4.5 -","- C384 H240 Co16 N32 O72 -","16","1","","Jinhee Park; Jian-Rong Li; E. Carolina Sanudo; Daqiang Yuan; Hong-Cai Zhou","A porous metal-organic framework with helical chain building units exhibiting facile transition from micro- to meso-porosity","Chem.Commun.","2012","48","","883","","10.1039/c1cc16261f","","","0.71073","MoKα","","0.0894","0.0466","","","0.082","0.0903","","","","","","0.842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107334","18.452","0.005","18.452","0.005","41.756","0.005","90","0.005","90","0.005","90","0.005","14217","6","293","2","293","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C32 H22 F10 Ir N8 P -","- C32 H22 F10 Ir N8 P -","- C512 H352 F160 Ir16 N128 P16 -","16","1","","Guogang Shan; Haibin Li; Hong-Tao Cao; Dong-Xia Zhu; Zhong-Min Su; Yi Liao","Reversible piezochromic behavior of two new cationic iridium(III) complexes","Chem.Commun.","2012","48","","2000","","10.1039/c2cc15855h","","","0.71069","MoKα","","0.0735","0.0471","","","0.1063","0.1179","","","","","","1.034","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7120490","21.7945","0.0019","21.7945","0.0019","71.588","0.009","90","","90","","90","","34004","6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C161 H151 Ca N35 O35 -","- C161 H49 Ca N35 O35 -","- C1288 H392 Ca8 N280 O280 -","8","0.5","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Alkali and alkaline earth metal ion binding by a foldamer capsule: selective recognition of magnesium hydrate","Chem. Commun.","2017","","","","","10.1039/C7CC05422J","","","1.54178","CuKα","","0.1672","0.1364","","","0.3608","0.3932","","","","","","1.62","","","","has coordinates","199349","2020-10-21","18:00:00",""
"7125486","19.3091","0.0011","19.3091","0.0011","13.4271","0.0008","90","","90","","90","","5006.2","0.5","150","2","150","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","4,4","4,4'-Bipyridyl-(N,N')-dioxide Nickel(II) bisnitrate tetrahydrate complex","","- C10 H12 N3 Ni0.5 O7 -","- C10 H12 N3 Ni0.5 O7 -","- C160 H192 N48 Ni8 O112 -","16","1","","Blake, A. J.; Brett, M. T.; Champness, N. R.; Khlobystov, A. N.; Long, D. L.; Wilson, C.; Schröder, M","Inorganic-organic interpenetrating frameworks: 4,4'-bipyridine N,N'-dioxide as a bridging hydrogen-bond acceptor.","Chemical communications (Cambridge, England)","2001","","21","2258","2259","10.1039/b106348k","","","0.71073","MoKα","","0.0276","0.0246","","","0.0637","0.065","","","","","","1.074","","","","has coordinates","243956","2020-10-21","18:00:00",""
"7126972","17.638","0.0016","17.638","0.0016","24.541","0.003","90","","90","","90","","7634.7","1.4","295","","295","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H56 B2 Cl2 N6 -","- C30 H56 B2 Cl2 N6 -","- C240 H448 B16 Cl16 N48 -","8","0.5","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.1142","0.0476","","","0.0887","0.1059","","","","","","0.934","","","","has coordinates,has disorder","256010","2020-10-21","18:00:00",""
"7130878","20.0586","0.0003","20.0586","0.0003","23.4376","0.0005","90","","90","","90","","9430.1","0.3","180","2","180","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C26 H72 N5 Si8 Yb -","- C26 H72 N5 Si8 Yb -","- C208 H576 N40 Si64 Yb8 -","8","0.5","","Li, Yangjuan; Gong, Yu","Nitrile formation via dichlorocarbene insertion into the Si-N bond of Ln(III) bis(trimethylsilyl)amide complexes","Chemical Communications","2022","","","","","10.1039/D2CC04538A","","x-ray","0.71073","MoKα","","0.0308","0.0225","","","0.0556","0.0611","","","","","","1.051","","","","has coordinates","278630","2022-10-18","22:01:33",""
"7151748","13.0912","0.0007","13.0912","0.0007","23.1759","0.0012","90","","90","","90","","3971.9","0.4","150","2","150","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C176 H80 F64 N16 O16 -","16","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0336","0.0305","","","0.0824","0.0849","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7155911","14.6413","0.0004","14.6413","0.0004","32.7707","0.0019","90","","90","","90","","7025","0.5","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C9 H9 N O S -","- C9 H9 N O S -","- C288 H288 N32 O32 S32 -","32","2","","Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro","Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01497J","","","0.71073","MoKα","","0.1312","0.0767","","","0.1911","0.225","","","","","","1.024","","","","has coordinates","201686","2020-10-21","18:00:00",""
"7156690","39.9997","0.0016","39.9997","0.0016","7.8237","0.0005","90","","90","","90","","12517.7","1.1","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","1,3-dimethyl-4,5-bis(2-methyl-5-(4-vinylphenyl)thiophen-3-yl)-1H-imidazol-3-ium hexafluorophosphate","","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C500 H472 Cl8 F96 N32 P16 S32 -","16","1","","Joo, Wontae; Bielawski, Christopher W.","Design, synthesis and study of a photochromic α,ω-diene: toward new classes of photoswitchable polymers.","Organic & biomolecular chemistry","2019","17","9","2486","2491","10.1039/c9ob00049f","","","1.54184","CuKα","","0.1024","0.0689","","","0.132","0.1477","","","","","","1.089","","","","has coordinates,has disorder","225220","2020-10-21","18:00:00",""
"7206207","15.251","0.002","15.251","0.002","8.1219","0.0016","90","","90","","90","","1889.1","0.5","296","2","296","2","900000","","900000","","","","","3","I 41 c d","I 4bw -2c","110","trichloroacetonitrile","trichloroacetonitrile","","- C2 Cl3 N -","- C2 Cl3 N -","- C32 Cl48 N16 -","16","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.0707","0.0636","","","0.1613","0.1724","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7208732","28.6711","0.0003","28.6711","0.0003","14.0797","0.0002","90","","90","","90","","11574","0.2","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Ni -","- C32 H28 Br2 N4 Ni -","- C512 H448 Br32 N64 Ni16 -","16","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0334","0.0251","","","0.0454","0.0461","","","","","","0.902","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7211567","31.8004","0.0006","31.8004","0.0006","36.9032","0.0016","90","","90","","90","","37318.9","1.9","100","2","100","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C70 H140 Mn Mo6 N5 O28 -","- C66.6 H123.75 Mn Mo6 N5 O28 -","- C1065.6 H1980 Mn16 Mo96 N80 O448 -","16","1","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0738","0.057","","","0.1384","0.1524","","","","","","1.033","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7213143","24.513","0.002","24.513","0.002","7.035","0.001","90","","90","","90","","4227.2","0.8","293","2","293","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","","","- C10 H8 N8 -","- C10 H8 N8 -","- C160 H128 N128 -","16","1","","Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.","Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3507","","10.1039/a905336k","","","0.71069","MoKα","","0.0664","0.0427","","0.1024","0.0907","","","","1.092","1.142","1.142","","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223084","21.1754","0.0019","21.1754","0.0019","26.984","0.003","90","","90","","90","","12100","2","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 O4 Si2 Y -","- C56 H86 F2 Li2 N3 O4 Si2 Y -","- C448 H688 F16 Li16 N24 O32 Si16 Y8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0818","0.0599","","","0.141","0.1539","","","","","","1.035","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223085","21.1739","0.0014","21.1739","0.0014","26.954","0.002","90","","90","","90","","12084.4","1.4","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 O4 Si2 Yb -","- C56 H52 F2 Li2 N3 O4 Si2 Yb -","- C448 H416 F16 Li16 N24 O32 Si16 Yb8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0813","0.0654","","","0.1286","0.1359","","","","","","1.242","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223086","21.2389","0.0014","21.2389","0.0014","27.125","0.0019","90","","90","","90","","12235.8","1.4","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 O4 Si2 Sm -","- C56 H52 F2 Li2 N3 O4 Si2 Sm -","- C448 H416 F16 Li16 N24 O32 Si16 Sm8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0575","0.05","","","0.1186","0.1238","","","","","","1.167","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223087","21.2689","0.0013","21.2689","0.0013","27.1676","0.0019","90","","90","","90","","12289.7","1.4","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 Nd O4 Si2 -","- C56 H86 F2 Li2 N3 Nd O4 Si2 -","- C448 H688 F16 Li16 N24 Nd8 O32 Si16 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.129","0.0977","","","0.1385","0.1491","","","","","","1.252","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223088","21.5582","0.0015","21.5582","0.0015","26.692","0.002","90","","90","","90","","12405.3","1.5","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Sm -","- C56 H64 Cl2 Li2 N3 O4 Si2 Sm -","- C448 H512 Cl16 Li16 N24 O32 Si16 Sm8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0995","0.0737","","","0.1341","0.1447","","","","","","1.186","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223089","21.6935","0.0008","21.6935","0.0008","26.9178","0.0014","90","","90","","90","","12667.7","0.9","293","2","293","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 Nd O4 Si2 -","- C56 H86 Cl2 Li2 N3 Nd O4 Si2 -","- C448 H688 Cl16 Li16 N24 Nd8 O32 Si16 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71073","MoKα","","0.0934","0.0441","","","0.0849","0.1022","","","","","","1.014","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223090","21.6583","0.0016","21.6583","0.0016","26.562","0.003","90","","90","","90","","12459.8","1.9","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 O4 Si2 Sm -","- C56 H86 Br2 Li2 N3 O4 Si2 Sm -","- C448 H688 Br16 Li16 N24 O32 Si16 Sm8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0873","0.068","","","0.0986","0.1041","","","","","","1.24","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223091","21.6873","0.0019","21.6873","0.0019","26.622","0.003","90","","90","","90","","12521","2","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 Nd O4 Si2 -","- C56 H86 Br2 Li2 N3 Nd O4 Si2 -","- C448 H688 Br16 Li16 N24 Nd8 O32 Si16 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0637","0.0479","","","0.1099","0.1199","","","","","","1.099","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7225246","13.3213","0.0002","13.3213","0.0002","31.0721","0.0006","90","","90","","90","","5513.96","0.16","120","2","120","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene diethyl ether solvate","","- C30 H38 O8 -","- C30 H38 O8 -","- C240 H304 O64 -","8","0.5","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0455","0.0451","","","0.1161","0.1168","","","","","","1.041","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7226532","24.9839","0.0007","24.9839","0.0007","10.2525","0.0003","90","","90","","90","","6399.6","0.3","296","2","296","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C14 H16 Cd N2 O6 -","- C14 H16 Cd N2 O6 -","- C224 H256 Cd16 N32 O96 -","16","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Ribeiro, Ana; Pombeiro, Armando J. L.","ZnII and CdII MOFs based on Amidoisophthalic acid ligand: Synthesis, Structure and Catalytic Application in Transesterification","RSC Adv.","2016","","","","","10.1039/C6RA17518J","","","0.71073","MoKα","","0.0271","0.0262","","","0.0628","0.0639","","","","","","1.068","","","","has coordinates","186537","2020-10-21","18:00:00",""
"7229863","17.9994","0.0003","17.9994","0.0003","28.3709","0.0007","90","","90","","90","","9191.6","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 N5 O7 Zn -","- C23 H23 N5 O7 Zn -","- C368 H368 N80 O112 Zn16 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0331","0.0277","","","0.0608","0.0634","","","","","","1.054","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229866","18.3535","0.0007","18.3535","0.0007","28.847","0.0013","90","","90","","90","","9717.1","0.7","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 Cd N5 O7 -","- C23 H23 Cd N5 O7 -","- C368 H368 Cd16 N80 O112 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0405","0.0328","","","0.0799","0.0855","","","","","","1.02","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7233100","11.3708","0.0002","11.3708","0.0002","38.3225","0.0014","90","","90","","90","","4954.9","0.2","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)cobalt(II) bromide chloride","","- C4 H16 Br1.052 Cl0.948 Co N4 O4 -","- C4 H16 Br1.052 Cl0.948 Co N4 O4 -","- C64 H256 Br16.832 Cl15.168 Co16 N64 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0524","0.0538","","","","","","1.035","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233102","11.3175","0.0003","11.3175","0.0003","38.0842","0.0014","90","","90","","90","","4878","0.3","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)nickel(II) bromide chloride","","- C4 H16 Br0.937 Cl1.063 N4 Ni O4 -","- C4 H16 Br0.937 Cl1.063 N4 Ni O4 -","- C64 H256 Br14.992 Cl17.008 N64 Ni16 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0254","0.0223","","","0.0474","0.0485","","","","","","1.103","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233108","11.2394","0.0005","11.2394","0.0005","37.594","0.004","90","","90","","90","","4749","0.6","150","2","150","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)nickel(II) chloride","","- C4 H16 Cl2 N4 Ni O4 -","- C4 H16 Cl2 N4 Ni O4 -","- C64 H256 Cl32 N64 Ni16 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0378","0.0269","","","0.055","0.0592","","","","","","1.079","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233110","11.3145","0.0002","11.3145","0.0002","37.9735","0.0008","90","","90","","90","","4861.29","0.16","293","2","293","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)cobalt(II) chloride","","- C4 H16 Cl2 Co N4 O4 -","- C4 H16 Cl2 Co N4 O4 -","- C64 H256 Cl32 Co16 N64 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0177","0.0169","","","0.0423","0.0426","","","","","","1.129","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7238450","16.2028","0.0003","16.2028","0.0003","24.4818","0.0009","90","","90","","90","","6427.2","0.3","173","2","173","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C30 H26 Co N12 O4 -","- C30 H26 Co N12 O4 -","- C240 H208 Co8 N96 O32 -","8","0.5","","Hu, Tuoping; Zhao, Xiaoliang; Hu, Xiaoqin; Xu, Yumin; Sun, Di; Sun, Daofeng","Two novel isomeric organic anion-water aggregations: 1D tape and 3D 2-fold interpenetrated diamond network","RSC Advances","2011","1","9","1682","","10.1039/c1ra00695a","","","0.71073","MoKα","","0.0799","0.0372","","","0.0743","0.0891","","","","","","0.988","","","","has coordinates","244179","2020-10-21","18:00:00",""
"7239639","12.3021","0.0004","12.3021","0.0004","42.415","0.002","90","","90","","90","","6419.2","0.4","130","0.1","130","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C8 H8 Br4 Na2 O8 -","- C8 H8 Br4 Na2 O8 -","- C128 H128 Br64 Na32 O128 -","16","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","x-ray","0.71073","MoKα","","0.0444","0.0364","","","0.0864","0.0903","","","","","","1.02","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7242936","24.7956","0.0001","24.7956","0.0001","9.4744","0.0001","90","","90","","90","","5825.07","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4-(dimethylamino)-9,9-dimethyl-9H-fluorene-5-carbaldehyde","","- C18 H19 N O -","- C18 H19 N O -","- C288 H304 N16 O16 -","16","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0322","0.0314","","","0.0797","0.0803","","","","","","1.072","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7700675","23.10844","0.00015","23.10844","0.00015","13.18166","0.00015","90","","90","","90","","7039.01","0.1","292.06","0.1","292.06","0.1","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C12 H12 Mn2 N2 O13 S2 -","- C12 H12 Mn2 N2 O13 S2 -","- C192 H192 Mn32 N32 O208 S32 -","16","1","","Luan, Lindong; Zhang, Ying; Zeng, Hongmei; Zou, Guohong; Dai, Yong; Zhou, Xiaoying; Lin, Zhien","Cluster-oxalate frameworks with extra-large channels: solvent-free synthesis, chemical stability, and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13130","13134","10.1039/c9dt02703c","","x-ray","1.54184","CuKα","","0.0411","0.0401","","","0.1002","0.1012","","","","","","1.037","","","","has coordinates","224498","2020-10-21","18:00:00",""
"7703483","25.3027","0.0002","25.3027","0.0002","25.8582","0.0003","90","","90","","90","","16555.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C18 H40 Co2 Dy3 N4 Na O33 -","- C18 H40 Co2 Dy3 N4 Na O33 -","- C288 H640 Co32 Dy48 N64 Na16 O528 -","16","1","","Lun, Hui-Jie; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Trigonal bipyramidal CoDy<sub>3</sub> cluster exhibiting single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2421","2425","10.1039/c9dt04600c","","x-ray","1.54184","CuKα","","0.0426","0.0363","","","0.0927","0.1044","","","","","","1.117","","","","has coordinates,has disorder","248930","2020-10-21","18:00:00",""
"7708706","29.6769","0.0004","29.6769","0.0004","15.2915","0.0004","90","","90","","90","","13467.5","0.4","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C24 H30 N16 O Ru2 -","- C24 H28 N16 O Ru2 -","- C384 H448 N256 O16 Ru32 -","16","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","0.71073","MoKα","","0.0752","0.0637","","","0.1603","0.1745","","","","","","1.077","","","","has coordinates","270312","2021-11-05","00:01:35",""
"7709332","32.635","0.002","32.635","0.002","34.282","0.003","90","","90","","90","","36512","4","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C59 H99 Mo12 N8 O40 P Zn4 -","- C59 H95 Mo12 N8 O40 P Zn4 -","- C944 H1520 Mo192 N128 O640 P16 Zn64 -","16","1","","Zhu, Yinhua; Yang, Jianbo; Liu, Xiaomei; Wang, Jilei; Ping, Qingdong; Du, Zeyu; Li, Jianian; Zang, Tingting; Mei, Hua; Xu, Yan","Two POM-based compounds containing Zn-capped Keggin anions as decent heterogeneous catalysts for sulfur oxidation and cycloaddition of CO2 reactions","Dalton Transactions","2022","","","","","10.1039/D1DT04348J","","","0.71073","MoKα","","0.0428","0.0339","","","0.0751","0.0791","","","","","","1.064","","","","has coordinates","272143","2022-01-19","23:54:11",""
"7713711","24.319","0.0003","24.319","0.0003","14.0521","0.0004","90","","90","","90","","8310.6","0.3","150","1","150","1","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C16 H29 Al K N2 P -","- C16 H29 Al K N2 P -","- C256 H464 Al16 K16 N32 P16 -","16","1","","Vrána, Jan; Ruzickova, Zdenka; R°užička, Aleš; Dostál, Libor","Synthesis and reactivity of alkali metal aluminates bearing bis(organoamido)phosphane ligand","Dalton Transactions","2023","","","","","10.1039/D3DT01859H","","","0.71073","MoKα","","0.0517","0.0381","","","0.0955","0.116","","","","","","1.087","","","","has coordinates","285608","2023-08-09","22:57:29",""
"7714869","23.5344","0.0001","23.5344","0.0001","12.4751","0.0006","90","0.008","90","0.008","90","0.008","6909.6","0.3","298","","298","","","","101.325","","","","","5","I 41 c d","I 4bw -2c","110","Zinc/Cobalt(Imidazol)2","Zinc/Cobalt(Imidazol)2","","- C12 H12 Co0.13 N8 Zn1.87 -","- C12 H12 Co0.1332 N8 Zn1.8666 -","- C192 H192 Co2.1312 N128 Zn29.8656 -","16","1","","Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna","New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2833","2847","10.1039/d3dt03211f","","x-ray","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","290178","2024-03-04","20:17:52",""
"7717902","16.7432","0.0001","16.7432","0.0001","21.9277","0.0001","90","","90","","90","","6147.1","0.06","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C27 H56 B N3 Sn2 -","- C27 H56 B N3 Sn2 -","- C216 H448 B8 N24 Sn16 -","8","0.5","","Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian David; Braunschweig, Holger","Synthesis of Base-free Boriranes and their Conversion to Borirenes Using Strong Reductant","Dalton Transactions","2025","","","","","10.1039/D5DT00069F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0338","0.0331","","","0.0978","0.0989","","","","","","1.035","","","","has coordinates","297493","2025-01-27","23:58:28",""
"8105240","17.3126","0.0019","17.3126","0.0019","19.725","0.002","90","","90","","90","","5912.1","1.1","223","2","223","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","<i>cyclo</i>[tetrachlorido-bis(μ~2~-<i>p</i>-xylylenediamine)dipalladium(II)] dimethyl sulfoxide solvate","","- C20 H36 Cl4 N4 O2 Pd2 S2 -","- C20 H36 Cl4 N4 O2 Pd2 S2 -","- C160 H288 Cl32 N32 O16 Pd16 S16 -","8","0.5","","Ha, Kwang","Crystal structure of cyclo-[tetrachlorido-bis(μ2-p-xylylenediamine-κ2 N:N′)dipalladium(II)] dimethyl sulfoxide solvate, C20H36Cl4N4O2Pd2S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","629","630","10.1515/ncrs-2019-0867","","","0.71073","MoKα","","0.0436","0.0284","","","0.0492","0.0536","","","","","","1.106","","","","has coordinates","275395","2022-05-13","07:43:35",""
"9011049","9.47","","9.47","","10.26","","90","","90","","90","","920.126","","","","","","","","","","","","Synthetic","3","I 41 c d","I 4bw -2c","110","","","Diomignite","- B4 Li2 O7 -","- B4 Li2 O7 -","- B32 Li16 O56 -","8","0.5","","Krogh-Moe J","The crystal structure of lithium diborate, Li2O*2B2O3","Acta Crystallographica","1962","15","","190","193","10.1107/S0365110X6200050X","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""