# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T19:58:04+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c c a' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1007092","13.95","","10.735","","9.951","","90","","90","","90","","1490.2","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Zinc silver catena-phosphate","","- Ag O9 P3 Zn -","- Ag O9 P3 Zn -","- Ag8 O72 P24 Zn8 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Crystal Chemistry of M(II) Ag (P O~3~)~3~ Polyphosphates for M(II) = Zn,Co,Ni,Mg and M(II)~4~ Na~4~ (P~4~ O~12~)~3~ Tetrametaphosphates for M(II)=Zn,Co,Ni: Crystal Structures of Zn Ag (P O~3~)~3~ and Zn~4~ Na~4~ (P~4~ O~12~)~3~","Journal of Solid State Chemistry","1983","49","","341","352","10.1016/S0022-4596(83)80012-7","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1502624","20.6899","0.0018","23.815","0.002","16.4542","0.0015","90","","90","","90","","8107.5","1.2","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C48 H49 Fe Lu N2 O -","- C48.5 H49 Fe Lu N2 O -","- C388 H392 Fe8 Lu8 N16 O8 -","8","1","","Diaconescu, Paula L.","Reactions of aromatic N-heterocycles with d0fn-metal alkyl complexes supported by chelating diamide ligands.","Accounts of chemical research","2010","43","10","1352","1363","10.1021/ar1000605","","","0.71073","MoKα","","0.0766","0.0574","","","0.1216","0.1267","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504687","24.6936","0.0011","6.3812","0.0003","10.2586","0.0004","90","","90","","90","","1616.5","0.12","120","2","120","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","0.5","","Ghorai, Prasanta; Dussault, Patrick H.; Hu, Chunhua","Synthesis of spiro-bisperoxyketals.","Organic letters","2008","10","12","2401","2404","10.1021/ol800657m","","","0.71073","MoKα","","0.0405","0.0388","","","0.1062","0.1083","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508065","22.857","0.006","12.614","0.003","14.604","0.004","90","","90","","90","","4210.6","1.9","223.1","","223.1","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H16 F8 N10 Zn -","- C46 H16 F8 N10 Zn -","- C184 H64 F32 N40 Zn4 -","4","0.5","","Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu","Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer.","Nature chemistry","2010","2","8","633","637","10.1038/nchem.684","","","0.7107","MoKα","","","0.0678","","","","0.0832","","","","","","0.927","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509458","13.888","","10.7302","","9.97301","","90","","90","","90","","1486.19","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Ag Mg (P O3)3","","- Ag Mg O9 P3 -","- Ag Mg O9 P3 -","- Ag8 Mg8 O72 P24 -","8","1","","Maazaz, M.; Belharouak, I.; Tanguy, B.; Aouad, H.; Gravereau, P.; le Flem, G.; Mesnaoui, M.; Parent, C.","Crystal structure and luminescence properties of silver in Ag M (P O3)3 (M= Mg, Zn, Ba) polyphosphates","Journal of Solid State Chemistry","1999","145","","97","103","10.1006/jssc.1999.8227","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510376","13.93","","5.757","","6.742","","90","","90","","90","","540.675","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Rb2 Au2 Cd2 S4","","- Au2 Cd2 Rb2 S4 -","- Au2 Cd2 Rb2 S4 -","- Au4 Cd4 Rb4 S8 -","2","0.25","","Kanatzidis, M.G.; Axtell, E.A.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511679","7.681","","6.773","","11.658","","90","","90","","90","","606.489","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","La2 Re3 B7","","- B7 La2 Re3 -","- B7 La2 Re3 -","- B28 La8 Re12 -","4","0.5","","Mikhailenko, S.I.; Yarmolyuk, Ya.P.; Kuz'ma, Yu.B.; Kotur, B.Ya.","The crystal structure of boride La2 Re3 B7","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1982","1982","","25","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514519","23.3192","0.0017","28.2","0.002","30.215","0.002","90","","90","","90","","19869","2","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C62 H135 Mn Mo6 N6 O26 -","- C53.8 H111.4 Mn Mo6 N5.5 O25.3 -","- C430.4 H891.2 Mn8 Mo48 N44 O202.4 -","8","1","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1506","0.0913","","","0.2965","0.3334","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520340","32.736","0.002","6.6793","0.0005","14.7618","0.0011","90","","90","","90","","3227.7","0.4","120","2","120","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C40 H44 Br1.32 Cl0.68 O6 S32 -","- C40 H44 Br1.32 Cl0.68 O6 S32 -","- C80 H88 Br2.64 Cl1.36 O12 S64 -","2","0.25","","Martin, Lee; Horton, Peter N.; Hursthouse, Michael B.","C40H44Br1.32Cl0.68O6S32","Crystal Structure Report Archive","2009","","","1233","","","","","0.71073","MoKα","","0.0698","0.0474","","","0.1041","0.1125","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520541","20.171","0.002","10.558","0.001","9.676","0.001","90","","90","","90","","2060.7","0.4","","","293","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- Cu4 O21 P6 Tl4 -","- Cu4 O21 P6 Tl4 -","- Cu16 O84 P24 Tl16 -","4","0.5","","M Fakhfakh; S Ammar-Merah; N Jouini","The compound Tl4Cu4(P2O7)3, a new three-dimensional structure with interconnected tunnels","Solid State Sciences","2000","2","","587","594","10.1016/S1293-2558(00)01060-8","","x-ray","0.71073","MoKα","","","0.04","","","0.093","","","","","","","1.103","","","","has coordinates","139214","2020-10-21","18:00:00",""
"1521085","5.6793","","12.3841","","5.6793","","90","","90","","90","","399.442","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","La K O (C O3)","","- C K La O4 -","- C K La O4 -","- C4 K4 La4 O16 -","4","0.5","","Guenther, W.; Paulus, W.; Schoellhorn, R.","Stacking disorder in a layered carbonate phase: the structure of LaK O C O3","Journal of Physics and Chemistry of Solids","2000","61","","1945","1953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524033","8.876","","6.8724","","11.1807","","90","","90","","90","","682.016","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","Rb Fe Cl3 (D2 O)2","","- Cl3 D4 Fe O2 Rb -","- Cl3 D4 Fe O2 Rb -","- Cl12 D16 Fe4 O8 Rb4 -","4","0.5","","Basten, J.A.J.; de Jonge, W.J.M.; van Vlimmeren, Q.A.G.","Crystallographic and magnetic structure of rubidium iron trichloride dideuterate and cesium iron trichloride dideuterate","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","18","","2179","2184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524034","8.9809","","7.2132","","11.3867","","90","","90","","90","","737.642","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","Cs Fe Cl3 (D2 O)2","","- Cl3 Cs D4 Fe O2 -","- Cl3 Cs D4 Fe O2 -","- Cl12 Cs4 D16 Fe4 O8 -","4","0.5","","Basten, J.A.J.; van Vlimmeren, Q.A.G.; de Jonge, W.J.M.","Crystallographic and magnetic structure of rubidium iron trichloride dideuterate and cesium iron trichloride dideuterate","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","18","","2179","2184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533108","10.12","","5.81","","10.95","","90","","90","","90","","643.829","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","(Br F2) (Sb F6)","","- Br F8 Sb -","- Br F8 Sb -","- Br4 F32 Sb4 -","4","0.5","","Edwards, A.J.; Jones, G.R.","Fluoride crystal structures. Part VI. Difluorobromine(III) hexafluoroantimonate(V)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1969","1969","","1467","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535788","10.795","","12.497","","18.652","","90","","90","","90","","2516.25","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","Rb3 Na3 Sc2 (Mo O4)6","","- Mo6 Na3 O24 Rb3 Sc2 -","- Mo6 Na3 O24 Rb3 Sc2 -","- Mo24 Na12 O96 Rb12 Sc8 -","4","0.5","","Tursina, A.I.; Trunov, V.K.; Efremov, V.A.; Gasanov, Yu.M.","Crystal structure of Rb3 Na3 Sc2 (Mo O4)6","Kristallografiya","1990","35","","625","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","163253","2020-10-21","18:00:00",""
"1536700","9.981","","5.781","","10.522","","90","","90","","90","","607.121","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","(Cl F2) (Nb F6)","","- Cl F8 Nb -","- Cl F8 Nb -","- Cl4 F32 Nb4 -","4","0.5","","Ellern, A.M.; Antipin, M.Yu.; Sharabarin, A.V.; Struchkov, Yu.T.","Crystal structures of difluorochloronium hexafluoroniobate and hexafluorotantalate, ClF2NbF6 and ClF2TaF6.","Zhurnal Neorganicheskoi Khimii","1991","36","","2266","2270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536703","10.049","","5.775","","10.67","","90","","90","","90","","619.212","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","(Cl F2) (Ta F6)","","- Cl F8 Ta -","- Cl F8 Ta -","- Cl4 F32 Ta4 -","4","0.5","","Ellern, A.M.; Antipin, M.Yu.; Sharabarin, A.V.; Struchkov, Yu.T.","Crystal structures of difluorochloronium hexafluoroniobate and hexafluorotantalate, ClF2NbF6 and ClF2TaF6.","Zhurnal Neorganicheskoi Khimii","1991","36","","2266","2270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1545669","21.052","0.006","9.434","0.003","29.833","0.009","90","","90","","90","","5925","3","100","","100","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C33 H21 F6 N4 Ni P -","- C33 H21 F6 N4 Ni P -","- C264 H168 F48 N32 Ni8 P8 -","8","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.1365","0.1038","","","0.2696","0.2927","","","","","","1.046","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1545671","21.0949","0.0015","9.3501","0.0006","30.015","0.002","90","","90","","90","","5920.1","0.7","100","","100","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H21 Cl0 F6 N4 P Pd -","- C33 H21 F6 N4 P Pd -","- C264 H168 F48 N32 P8 Pd8 -","8","1","","Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A.","Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00513","","","0.71073","MoKα","","0.1176","0.0851","","","0.23","0.2486","","","","","","1.091","","","","has coordinates","194672","2020-10-21","18:00:00",""
"1546603","27.0189","0.0006","14.0226","0.0004","7.2637","0.0002","90","","90","","90","","2752.04","0.13","175","0.14","175","0.14","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H22 Br2 O6 P2 -","- C30 H22 Br2 O6 P2 -","- C120 H88 Br8 O24 P8 -","4","0.5","","Essid, I.; Laborde, C.; Legros, F.; Sevrain, N.; Touil, S.; Rolland, M.; Ayad, T.; Volle, J.-N.; Pirat, J.-L.; Virieux, D.","Phosphorus-Containing Bis-allenes: Synthesis and Heterocyclization Reactions Mediated by Iodine or Copper Dibromide.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00648","","x-ray","1.54184","CuKα","","0.074","0.0558","","","0.1473","0.168","","","","","","1.015","","","","has coordinates","198993","2020-10-21","18:00:00",""
"1546865","18.835","0.011","9.183","0.005","9.479","0.005","90","","90","","90","","1639.5","1.6","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- F8 Fe2 Li5 O4 P -","- F8 Fe2 Li5 O4 P -","- F64 Fe16 Li40 O32 P8 -","8","1","","Yaghoobnejad Asl, Hooman; Ghosh, Kartik; Choudhury, Amitava","A highly fluorinated lithium iron phosphate with interpenetrating lattices: electrochemistry and ionic conductivity","Dalton Transactions","2017","46","37","12588","12596","10.1039/C7DT02202F","","","0.71073","MoKα","","0.0296","0.026","","","0.0737","0.076","","","","","","1.205","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1549467","5.9482","0.0007","10.0866","0.001","5.8984","0.0006","90","","90","","90","","353.89","0.07","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","Sodium Acetate","Sodium Acetate","","- C2 H3 Na O2 -","- C2 H3 Na O2 -","- C8 H12 Na4 O8 -","4","0.5","","Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss","New Polymorphs of the Phase-Change Material Sodium Acetate","Crystals","2018","8","","213","","10.3390/cryst8050213","","","0.71073","MoKα","","0.046","0.029","","","","0.081","","","","","","1.5854","","","","has coordinates","288642","2024-01-03","13:53:13",""
"1554145","28.9409","0.0008","9.0789","0.0002","21.712","0.0005","90","","90","","90","","5704.9","0.2","100","","100","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C28 H24 O8 S4 -","- C28 H24 O8 S4 -","- C224 H192 O64 S32 -","8","1","","Takeda, Takashi; Ozawa, Masataka; Akutagawa, Tomoyuki","Dynamic Motion of Twisted π System-Induced Temperature-Dependent Dielectric Response in the Neat Liquid State","The Journal of Physical Chemistry C","2019","123","33","20152","","10.1021/acs.jpcc.9b06071","","","1.54187","CuKα","","0.2131","0.1433","","","0.2929","0.341","","","","","","1.286","","","","has coordinates","236636","2020-10-21","18:00:00",""
"1557745","13.9484","0.0012","18.528","0.0016","7.0215","0.0008","90","","90","","90","","1814.6","0.3","293","1","293","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","0.71073","MoKα","","0.0525","0.0387","","","0.084","0.0894","","","","","","1.084","","","","has coordinates","250388","2020-10-21","18:00:00",""
"1557908","19.0673","0.0003","26.1197","0.0006","15.5005","0.0003","90","","90","","90","","7719.7","0.3","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","CdTzTz","","- C38 H32 Cd N6 O6 S3 -","- C38 H32 Cd N6 O6 S3 -","- C304 H256 Cd8 N48 O48 S24 -","8","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","MoKα","","0.0852","0.0804","","","0.2123","0.2173","","","","","","1.079","","","","has coordinates,has disorder","257345","2020-10-21","18:00:00",""
"1558412","18.814","0.002","9.623","0.001","8.678","0.002","90","","90","","90","","1571.1","0.4","","","294","","","","","","","","","7","P c c a","-P 2a 2ac","54","trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride [Cu(C4H10NO3)2]KF.3H2O","","","- C8 H26 Cu F K N2 O9 -","- C8 Cu F K N2 O9 -","- C32 Cu4 F4 K4 N8 O36 -","4","0.5","","Kotila, Sirpa; Valkonen, Jussi","Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4. Synthesis, Structure and Thermal Behavior of trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and [Cu(C4H10NO3)2]KBr.2H2O","Acta Chemica Scandinavica","1994","48","","312","318","10.3891/acta.chem.scand.48-0312","","x-ray","0.71073","MoKα","","","0.04","","","0.048","","","","","","","2.048","","","","has coordinates","253441","2020-10-21","18:00:00",""
"1558413","18.482","0.002","9.805","0.001","8.776","0.003","90","","90","","90","","1590.4","0.6","","","294","","","","","","","","","7","P c c a","-P 2a 2ac","54","trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Bromide [Cu(C4H10NO3)2]KBr.2H2O","","","- C8 H24 Br Cu K N2 O8 -","- C8 Br Cu K N2 O8 -","- C32 Br4 Cu4 K4 N8 O32 -","4","0.5","","Kotila, Sirpa; Valkonen, Jussi","Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4. Synthesis, Structure and Thermal Behavior of trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and [Cu(C4H10NO3)2]KBr.2H2O","Acta Chemica Scandinavica","1994","48","","312","318","10.3891/acta.chem.scand.48-0312","","x-ray","0.71073","MoKα","","","0.036","","","0.04","","","","","","","2.381","","","","has coordinates","253442","2020-10-21","18:00:00",""
"1560359","14.4985","0.0005","12.2421","0.0004","23.766","0.0005","90","","90","","90","","4218.3","0.2","173","0.1","173","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C18 H17 Cl2 Mn N3 O6 -","- C18 H17 Cl2 Mn N3 O6 -","- C144 H136 Cl16 Mn8 N24 O48 -","8","1","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.1124","0.0847","","","0.2238","0.2486","","","","","","1.08","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1560360","20.267","0.002","13.5379","0.0012","7.4103","0.0007","90","","90","","90","","2033.2","0.3","173","0.1","173","0.1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H21 Mn N3 O5 -","- C20 H21 Mn N3 O5 -","- C80 H84 Mn4 N12 O20 -","4","0.5","","Ming, Mei; Bai, Na","A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+","Journal of Solid State Chemistry","2017","254","","9","13","10.1016/j.jssc.2017.07.003","","x-ray","1.54184","CuKα","","0.115","0.0935","","","0.2353","0.2548","","","","","","1.066","","","","has coordinates,has disorder","261923","2021-02-12","14:42:02",""
"1561167","9.7581","0.0005","6.61","0.0004","10.5127","0.0006","90","","90","","90","","678.08","0.07","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C2 H6 Mn O7 -","- C2 H6 Mn O7 -","- C8 H24 Mn4 O28 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O","Journal of Solid State Chemistry","2018","260","","87","94","10.1016/j.jssc.2018.01.022","","","0.71073","MoKα","","0.0595","0.0372","","","0.0771","0.085","","","","","","0.992","","","","has coordinates","263186","2021-03-19","10:17:45",""
"1562087","21.156","0.011","8.726","0.005","15.847","0.009","90","","90","","90","","2925","3","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C28 H20 N8 Ni O5 -","- C28 H18 N8 Ni O5 -","- C112 H72 N32 Ni4 O20 -","4","0.5","","Liu, Yong-Liang; Wu, Ya-Pan; Li, Dong-Sheng; Dong, Wen-Wen; Zhou, Chun-Sheng","Two interpenetrating CuII/NiII-coordinated polymers based on an unsymmetrical bifunctional N/O-tectonic: Syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","223","","38","43","10.1016/j.jssc.2014.05.022","","","0.71073","MoKα","","0.0588","0.0507","","","0.1359","0.1438","","","","","","1.094","","","","has coordinates","264530","2021-04-26","08:03:34",""
"1562849","10.406","0.002","13.102","0.003","12.723","0.003","90","","90","","90","","1734.6","0.7","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C9 H10 N10 O3 Zn2 -","- C9 H5 N10 O3 Zn2 -","- C36 H20 N40 O12 Zn8 -","4","0.5","","Liu, Dong-Sheng; Sui, Yan; Chen, Weng-Tong; Huang, Jian-Gen; Chen, Jian-Zhong; Huang, Chang-Cang","Two new Zn(II) and Cd(II) coordinastion polymers based on amino-tetrazole and phenylcarboxylate: Syntheses, topological structures and photoluminescent properties","Journal of Solid State Chemistry","2012","196","","161","167","10.1016/j.jssc.2012.06.011","","","0.71073","MoKα","","0.0648","0.0631","","","0.1983","0.1998","","","","","","1.197","","","","has coordinates","265484","2021-05-25","09:46:38",""
"1565396","32.984","0.006","11.556","0.002","15.213","0.003","90","","90","","90","","5798.6","1.9","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C25 H23 N4 O5 Zn -","- C25 H23 N4 O5 Zn -","- C200 H184 N32 O40 Zn8 -","8","1","","Dong, Mengwei; Lu, Lu; Tan, Xueyan; An, Baichao; Singh, Ayushi; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Syntheses and photocatalytic properties of two new d10- and d9-based 2D coordination polymers","Inorganica Chimica Acta","2020","502","","119334","","10.1016/j.ica.2019.119334","","","0.71073","MoKα","","0.1219","0.0583","","","0.1335","0.144","","","","","","1.016","","","","has coordinates","270856","2021-11-24","10:00:31",""
"1569846","23.535","0.004","10.8949","0.0017","9.5632","0.0015","90","","90","","90","","2452.1","0.7","143","2","143","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H44 B F4 P -","- C20 H44 B F4 P -","- C80 H176 B4 F16 P4 -","4","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0907","0.0679","","","0.1367","0.1476","","","","","","1.219","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"2000110","13.168","0.009","8.599","0.006","15.152","0.01","90","","90","","90","","1715.69","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C4 H22 N4 O13 P4 -","- C8 H44 N8 O25 P8 -","- C32 H176 N32 O100 P32 -","4","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of bis(ethylenediammonium) cyclo-tetraphosphate monohydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","3","428","430","10.1107/s0108270188011989","","","","","","","0.033","","","0.033","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000121","8.037","0.003","13.977","0.005","15.478","0.005","90","","90","","90","","1738.69","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C12 H12 Co2 N4 O12 -","- C24 H24 Co6 N10 O26 -","- C96 H96 Co24 N40 O104 -","4","0.5","","Richard, P.; Qui, D. T.; Bertaut, E. F.","Structure cristalline du polychélate Co-2,3-PYD.3H2O","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1973","29","5","1111","1115","10.1107/S056774087300395X","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199647","2020-10-21","18:00:00",""
"2000728","14.744","0.001","6.676","0.002","32.151","0.003","90","","90","","90","","3164.7","1","293","","293","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] Dicyanamide","","- C22 H16 N3 S16 -","- C22 H16 N3 S16 -","- C88 H64 N12 S64 -","4","0.5","CR1001","Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J.","Structure of (BEDT-TTF)~2~N(CN)~2~","Acta Crystallographica Section C","1992","48","8","1560","1561","10.1107/S0108270192005262","","","0.71073","MoKα","","","0.077","","","0.125","","","","","5.05","5.05","","","","","has coordinates","190435","2020-10-21","18:00:00",""
"2002995","7.304","0.003","9.981","0.003","19.956","0.006","90","","90","","90","","1454.8","0.9","298","","298","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C8 H18 Cd O11 -","- C8 H14 Cd O11 -","- C32 H56 Cd4 O44 -","4","0.5","HR0036","Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A.","An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O","Acta Crystallographica Section B","1998","54","5","657","662","10.1107/S0108768197020107","","","0.71073","MoKα","","0.0303","0.0277","","0.0743","0.0716","","","","1.119","1.143","1.143","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007896","13.734","0.002","10.543","0.002","9.83","0.002","90","","90","","90","","1423.4","0.4","298","","298","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Sodium Nickel Polyphosphate","","- Na Ni O9 P3 -","- Na Ni O9 P3 -","- Na8 Ni8 O72 P24 -","8","1","BR1195","Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M.","Sodium Nickel Polyphosphate","Acta Crystallographica Section C","1998","54","12","1746","1747","10.1107/S0108270198006258","","","0.71073","MoKα","","","0.03","","","","0.043","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011160","13.8864","0.0002","18.4943","0.0007","6.9664","0.0009","90","","90","","90","","1789.1","0.2","100","1","100","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","N-glicyl-2-hydroxibenzaldiminate potasium salt","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","QA0306","Paredes-García, Verónica; Venegas-Yazigi, Diego; Lough, Alan J.; Latorre, Ramón","Potassium <i>N</i>-(6-oxocyclohexa-1,3-dien-5-ylidenemethyl)glycinate","Acta Crystallographica Section C","2000","56","7","e283","e283","10.1107/S0108270100007666","","","0.71073","MoKα","","0.049","0.034","","","","0.091","","","","","","1.051","","","","has coordinates,has Fobs","194580","2020-10-21","18:00:00",""
"2016959","21.4257","0.0019","8.6567","0.0008","33.537","0.003","90","","90","","90","","6220.3","1","291","2","291","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","<i>catena</i>-poly[[[diaquadipyridinecobalt(II)]-μ-tetrachloroterephthalato] 1,4-dioxane trihydrate]","","- C22 H28 Cl4 Co N2 O11 -","- C22 H28 Cl4 Co N2 O11 -","- C176 H224 Cl32 Co8 N16 O88 -","8","1","GA3116","Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu","Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate","Acta Crystallographica Section C","2009","65","2","m86","m90","10.1107/S0108270109000869","","","0.71073","MoKα","","0.0667","0.0433","","","0.0735","0.077","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020464","16.864","0.004","11.067","0.002","22.764","0.004","90","","90","","90","","4248.5","1.5","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Poly[[(μ~2~-3,3'-dimethyl-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ~4~-4,4'-oxydibenzoato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')dizinc] tetrahydrate]","","- C40 H36 N2 O14 Zn2 -","- C40 H27.128 N2 O10 Zn2 -","- C160 H108.512 N8 O40 Zn8 -","4","0.5","FP3027","Liang, Feng-Lan; Ma, De-Yun; Qin, Liang","A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands","Acta Crystallographica Section C","2016","72","5","373","378","10.1107/S205322961600437X","","","0.71073","MoKα","","0.051","0.0449","","","0.1239","0.1281","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","183639","2020-10-21","18:00:00",""
"2106440","20.788","","13.086","","18.879","","90","","90","","90","","5135.69","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","H3 (P W12 O40) (H2 O)21","","- H45 O61 P W12 -","- H44.98 O61 P W12 -","- H179.92 O244 P4 W48 -","4","0.5","","Spirlet, M.R.; Busing, W.R.","Dodecatungstophosphoric acid-21-water by neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1978","34","","907","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2200215","15.3582","0.0015","11.6957","0.0012","14.8253","0.0012","90","","90","","90","","2663","0.4","153","2","153","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C25 H18.8 Ag F3 N4 O4.4 S -","- C25 H18 Ag F3 N4 O4.4 S -","- C100 H72 Ag4 F12 N16 O17.6 S4 -","4","0.5","OM6002","Vallina, Ana Tesouro; Stoeckli-Evans, Helen","<i>catena</i>-Poly[[silver(I)-μ-{bis[4-(2-pyridylmethyleneamino)phenyl] ether}] trifluoromethanesulfonate 0.4-hydrate]: a zigzag coordination polymer","Acta Crystallographica Section E","2001","57","2","m59","m61","10.1107/S1600536800020869","","","0.71073","MoKα","","0.124","0.042","","","","0.095","","","","","","0.74","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204102","15.651","0.003","7.597","0.002","18.848","0.004","90","","90","","90","","2241","0.9","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Dichlorotetrakis(3-hydroxypyridine)cobalt(II)","","- C20 H20 Cl2 Co N4 O4 -","- C20 H20 Cl2 Co N4 O4 -","- C80 H80 Cl8 Co4 N16 O16 -","4","0.5","WN6266","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Lu, Zhen-Zhong; Zhao, Hui; Zhao, Jing-Gui","Dichlorotetrakis(3-hydroxypyridine)cobalt(II)","Acta Crystallographica Section E","2004","60","8","m1128","m1130","10.1107/S160053680401712X","","","0.71073","MoKα","","0.055","0.038","","","0.09","0.098","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204331","15.701","0.003","7.611","0.0015","18.606","0.004","90","","90","","90","","2223.4","0.8","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Dichlorotetrakis(3-hydroxypyridine-κN)nickel(II)","","- C20 H20 Cl2 N4 Ni O4 -","- C20 H20 Cl2 N4 Ni O4 -","- C80 H80 Cl8 N16 Ni4 O16 -","4","0.5","ER6000","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Lu, Zhen-Zhong; Zhao, Hui","Dichlorotetrakis(3-hydroxypyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2004","60","10","m1367","m1369","10.1107/S1600536804021245","","","0.71073","MoKα","","0.0683","0.0474","","","0.0978","0.1052","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205812","21.474","0.011","11.008","0.006","16.044","0.008","90","","90","","90","","3793","3","358","2","85","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Bis[2,4-bis(2-pyridyl-κN)-6-(4-pyridyl)-1,3,5-triazine-κN^3^]ruthenium(II) bis(hexafluorophosphate)","","- C36 H24 F12 N12 P2 Ru -","- C36 H24 F12 N12 P2 Ru -","- C144 H96 F48 N48 P8 Ru4 -","4","0.5","SJ6074","Hartshorn, Richard M.; Zibaseresht, Ramin; Robinson, Ward T.","Bis[2,4-bis(2-pyridyl-κ<i>N</i>)-6-(4-pyridyl)-1,3,5-triazine-κ<i>N</i>^3^]ruthenium(II) bis(hexafluorophosphate)","Acta Crystallographica Section E","2005","61","5","m981","m983","10.1107/S1600536805012420","","","0.71073","MoKα","","0.0797","0.0584","","","0.1295","0.1373","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206224","9.766","0.0009","6.6155","0.0006","10.5192","0.001","90","","90","","90","","679.61","0.11","292","2","292","2","","","","","","","","4","P c c a","-P 2a 2ac","54","[Mn (C2 O4) (H2 O)2], H2 O","catena-Poly[[[diaquamanganese(II)]-μ-oxalato] monohydrate]","","- C2 H6 Mn O7 -","- C2 H6 Mn O7 -","- C8 H24 Mn4 O28 -","4","0.5","JH6010","Xucheng Fu; Chenggang Wang; Mingtian Li","<i>catena</i>-Poly[[[diaquamanganese(II)]-μ-oxalato] monohydrate]","Acta Crystallographica Section E","2005","61","7","m1348","m1349","10.1107/S1600536805018805","","","0.71073","MoKα","","0.0205","0.0198","","","0.0535","0.0539","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206873","22.3933","0.0009","5.6174","0.0002","22.3033","0.0008","90","","90","","90","","2805.58","0.18","183","2","183","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","tetrakis(tert-butylisocyanide)copper(I) chloride monohydrate","","- C20 H38 Cl Cu N4 O -","- C20 H38 Cl Cu N4 O -","- C80 H152 Cl4 Cu4 N16 O4 -","4","0.5","BT6729","Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar","Tetrakis(<i>tert</i>-butyl isocyanide)copper(I) chloride monohydrate","Acta Crystallographica Section E","2005","61","10","m1995","m1997","10.1107/S1600536805028606","","","0.71073","MoKα","","0.1251","0.0699","","","0.1964","0.231","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2210623","13.92","0.003","9.879","0.002","28.548","0.006","90","","90","","90","","3925.8","1.4","292","2","292","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","catena-poly[[(2-phenyl-1H-1,3,7,8,- tetraazacyclopenta[l]phenanthrene)manganese(II)]-μ-succinato]","","- C23 H14 Mn N4 O4 -","- C23 H14 Mn N4 O4 -","- C184 H112 Mn8 N32 O32 -","8","1","HB2131","Liang Wang; Guang-Bo Che; Chun-Bo Liu","<i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)manganese(II)]-μ-succinato]","Acta Crystallographica Section E","2006","62","10","m2406","m2408","10.1107/S1600536806034453","","","0.71073","MoKα","","0.1019","0.0446","","","0.0933","0.1082","","","","","","0.938","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210627","10.879","0.002","5.707","0.0011","22.336","0.005","90","","90","","90","","1386.8","0.5","292","3","292","3","","","","","","","","5","P c c a","-P 2a 2ac","54","","Poly[μ-4,4'-bipyridine-κ^2^N:N'-di-μ-isothiocyanato-copper(II)]","","- C12 H8 Cu N4 S2 -","- C12 H8 Cu N4 S2 -","- C48 H32 Cu4 N16 S8 -","4","0.5","HB2136","Luo, Wang-Xi; Yu, Ming-Ming; Zheng, Lei; Cui, Ai-Li; Kou, Hui-Zhong","Poly[μ-4,4'-bipyridine-di-μ-isothiocyanato-copper(II)]","Acta Crystallographica Section E","2006","62","10","m2532","m2534","10.1107/S1600536806036117","","","0.71073","MoKα","","0.0614","0.046","","","0.1018","0.1085","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210826","17.149","0.003","11.636","0.002","8.012","0.0016","90","","90","","90","","1598.8","0.5","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","2'-Chloroacetophenone azine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C64 H56 Cl8 N8 -","4","0.5","XU2107","Pu-Su Zhao; Huan-Mei Guo; Fang-Fang Jian; Jian Zheng; Hai-Lian Xiao","2'-Chloroacetophenone azine","Acta Crystallographica Section E","2006","62","10","o4438","o4439","10.1107/S160053680603594X","","","0.71073","MoKα","","0.092","0.05","","","0.138","0.171","","","","","","0.928","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210835","19.7761","0.0009","14.4074","0.0005","14.8877","0.0006","90","","90","","90","","4241.8","0.3","273","2","273","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Tris(phenanthroline-κ^2^N,N')nickel(II) bis(malate) tetrahydrate","","- C44 H42 N6 Ni O14 -","- C44 H42 N6 Ni O14 -","- C176 H168 N24 Ni4 O56 -","4","0.5","XU2121","Guo-Bing Yan","Tris(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(malate) tetrahydrate","Acta Crystallographica Section E","2006","62","10","m2664","m2665","10.1107/S1600536806037391","","","0.71073","MoKα","","0.101","0.046","","","0.121","0.141","","","","","","0.883","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211688","13.819","0.002","9.757","0.002","28.098","0.002","90","","90","","90","","3788.5","1","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Poly-[[(2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene)zinc(II)]- μ~3~-succinato]","","- C23 H16 N4 O4 Zn -","- C23 H16 N4 O4 Zn -","- C184 H128 N32 O32 Zn8 -","8","1","XU2171","Che, Guang-Bo; Sun, Jun; Ng, Seik Weng","Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)zinc(II)]-μ~3~-succinato]","Acta Crystallographica Section E","2006","62","12","m3489","m3490","10.1107/S1600536806049452","","","0.71073","MoKα","","0.103","0.055","","","0.136","0.152","","","","","","0.96","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2212227","9.76","0.002","6.6015","0.0016","10.5","0.003","90","","90","","90","","676.5","0.3","294","2","294","2","","","","","","","","4","P c c a","-P 2a 2ac","54","copper oxalate trihydrate","Poly[diaqua-μ-oxalato-copper(II) monohydrate]","","- C2 H6 Cu O7 -","- C2 H6 Cu O7 -","- C8 H24 Cu4 O28 -","4","0.5","HK2180","Wu, Wen-Yuan; Zhai, Li-Xin","Poly[diaqua-μ-oxalato-copper(II) monohydrate]","Acta Crystallographica Section E","2007","63","2","m429","m430","10.1107/S1600536806055437","","","0.71073","MoKα","","0.0796","0.0695","","","0.1803","0.1835","","","","","","1.62","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212398","9.0307","0.0012","7.2636","0.0008","11.4312","0.0013","90","","90","","90","","749.83","0.15","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","cesium diaquatrichloromanganate(II)","","- Cl3 Cs H4 Mn O2 -","- Cl3 Cs H4 Mn O2 -","- Cl12 Cs4 H16 Mn4 O8 -","4","0.5","WM2084","Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V.","Redetermination of Cs[MnCl~3~(H~2~O)~2~]","Acta Crystallographica Section E","2007","63","2","i24","i26","10.1107/S1600536806054742","","","0.71073","MoKα","","0.0814","0.0336","","","0.0603","0.0676","","","","","","0.784","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217490","13.3588","0.0019","12.534","0.0018","15.792","0.002","90","","90","","90","","2644.2","0.6","292","2","292","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","<i>N</i>,<i>N</i>'-{[Bis(trifluoromethyl)methylene]di-<i>p</i>- phenylene}diphthalimide","","- C31 H16 F6 N2 O4 -","- C31 H16 F6 N2 O4 -","- C124 H64 F24 N8 O16 -","4","0.5","EZ2112","Li, Yitao; Wang, Zhiguo","<i>N</i>,<i>N</i>'-{[Bis(trifluoromethyl)methylene]di-<i>p</i>-phenylene}diphthalimide","Acta Crystallographica Section E","2008","64","2","o388","o388","10.1107/S1600536807068249","","","0.71073","MoKα","","0.0966","0.0655","","","0.1523","0.1683","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2220110","30.7633","0.0004","5.4012","0.0001","11.4532","0.0001","90","","90","","90","","1903.05","0.05","100","0.1","100","0.1","","","","","","","","4","P c c a","-P 2a 2ac","54","","<i>N</i>,<i>N</i>'-Bis-(2,4-dichlorobenzylidene)-2,2-dimethylpropane-1,3-diamine","","- C19 H18 Cl4 N2 -","- C19 H18 Cl4 N2 -","- C76 H72 Cl16 N8 -","4","0.5","CI2702","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","<i>N</i>,<i>N</i>'-Bis-(2,4-dichlorobenzylidene)-2,2-dimethylpropane-1,3-diamine","Acta Crystallographica Section E","2008","64","12","o2285","","10.1107/S1600536808035745","","","0.71073","MoKα","","0.0345","0.0298","","","0.0877","0.0986","","","","","","1.191","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221638","16.889","0.003","5.2906","0.001","16.901","0.003","90","","90","","90","","1510.2","0.5","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","Imidazolium <i>trans</i>-bis(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobaltate(III)","","- C11 H15 Co N4 O8 -","- C11 H15 Co N4 O8 -","- C44 H60 Co4 N16 O32 -","4","0.5","CV2551","Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li","Imidazolium <i>trans</i>-bis(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobaltate(III)","Acta Crystallographica Section E","2009","65","5","m561","","10.1107/S1600536809014342","","","0.71073","MoKα","","0.0351","0.0294","","","0.0764","0.0794","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226740","7.94","0.0016","5.6744","0.0011","29.461","0.006","90","","90","","90","","1327.4","0.5","113","2","113","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","4,5,6,7-Tetrachloro-2-(4-fluorophenyl)isoindoline-1,3-dione","","- C14 H4 Cl4 F N O2 -","- C14 H4 Cl4 F N O2 -","- C56 H16 Cl16 F4 N4 O8 -","4","0.5","XU2780","Fu, Xian-Shu; Yu, Xiao-Ping; Wang, Wei-Min; Lin, Fang","4,5,6,7-Tetrachloro-2-(4-fluorophenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2010","66","7","o1744","","10.1107/S1600536810023032","","","0.71073","MoKα","","0.0563","0.05","","","0.1684","0.2044","","","","","","1.035","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226954","17.2162","0.0003","11.8414","0.0003","7.6953","0.0002","90","","90","","90","","1568.79","0.06","100","","100","","","","","","","","","4","P c c a","-P 2a 2ac","54","","(<i>E</i>,<i>E</i>)-1,2-Bis[1-(2-bromophenyl)ethylidene]hydrazine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C64 H56 Br8 N8 -","4","0.5","IS2578","Jansrisewangwong, Patcharaporn; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>,<i>E</i>)-1,2-Bis[1-(2-bromophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2010","66","8","o2170","","10.1107/S1600536810029867","","","0.71073","MoKα","","0.0571","0.0308","","","0.0713","0.0814","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227411","21.234","0.003","12.0489","0.0015","7.3601","0.001","90","","90","","90","","1883.1","0.4","295","2","295","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","4-Phenyl-2,6-bis(4-tolyl)pyridine","","- C25 H21 N -","- C25 H21 N -","- C100 H84 N4 -","4","0.5","FB2207","Ma, Yajun; Liu, Buming; Xue, Chenghu","4-Phenyl-2,6-bis(4-tolyl)pyridine","Acta Crystallographica Section E","2010","66","9","o2322","","10.1107/S1600536810031764","","","0.71073","MoKα","","0.0931","0.058","","","0.1513","0.1785","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229506","19.6443","0.0002","10.6159","0.0001","8.3553","0.0001","90","","90","","90","","1742.43","0.03","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Dichloridobis[2-(morpholin-4-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>']cadmium","","- C12 H28 Cd Cl2 N4 O2 -","- C12 H28 Cd Cl2 N4 O2 -","- C48 H112 Cd4 Cl8 N16 O8 -","4","0.5","SI2331","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dichloridobis[2-(morpholin-4-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>']cadmium","Acta Crystallographica Section E","2011","67","3","m298","","10.1107/S1600536811003709","","","0.71073","MoKα","","0.0475","0.0389","","","0.0746","0.0777","","","","","","1.277","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229949","44.704","0.004","6.3576","0.0006","8.2074","0.0009","90","","90","","90","","2332.6","0.4","298","2","298","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","1,1'-[(1<i>E</i>,11<i>E</i>)-5,8-Dioxa-2,11-diazoniadodeca-1,11-diene-\ 1,12-diyl]dinaphthalen-2-olate","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","0.5","CV5066","Liu, Yanju; Liu, Kai; Cao, Zhiqiang; Niu, Meiju","1,1'-[(1<i>E</i>,11<i>E</i>)-5,8-Dioxa-2,11-diazoniadodeca-1,11-diene-1,12-diyl]dinaphthalen-2-olate","Acta Crystallographica Section E","2011","67","5","o1074","","10.1107/S1600536811012219","","","0.71073","MoKα","","0.1206","0.0677","","","0.1864","0.2235","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2233645","21.0129","0.001","11.6013","0.0005","16.6025","0.0008","90","","90","","90","","4047.3","0.3","296","2","296","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichloridozinc(II) ethanol hemisolvate","","- C15 H15 Cl2 N4 O0.5 S2 Zn -","- C14 H12 Cl2 N4 S2 Zn -","- C112 H96 Cl16 N32 S16 Zn8 -","8","1","TK5044","Kim, Young-Inn; Kang, Sung Kwon","Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichloridozinc(II) ethanol hemisolvate","Acta Crystallographica Section E","2012","68","2","m178","m179","10.1107/S1600536812001560","","","0.71073","MoKα","","0.0999","0.0459","","","","0.1359","","","","","","0.883","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235083","20.73","0.03","12.004","0.018","19.83","0.03","90","","90","","90","","4935","13","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^<i>P</i>,<i>S</i>]copper(I) hexafluoridophosphate","","- C50 H44 Cu F6 P5 S2 -","- C50 H44 Cu F6 P5 S2 -","- C200 H176 Cu4 F24 P20 S8 -","4","0.5","HY2551","Zhang, Jing-Jing; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^<i>P</i>,<i>S</i>]copper(I) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","6","m841","","10.1107/S160053681202346X","","","0.71073","MoKα","","0.0942","0.0531","","","0.1294","0.1524","","","","","","1.027","","","","has coordinates","176798","2020-10-21","18:00:00",""
"4000066","17.1501","0.0015","9.9657","0.0009","12.1082","0.0011","90","","90","","90","","2069.4","0.3","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H16 N2 O4 S2 Zn -","- C24 H16 N2 O4 S2 Zn -","- C96 H64 N8 O16 S8 Zn4 -","4","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1124","0.0451","","","0.0724","0.0877","","","","","","0.882","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001374","21.697","0.008","8.534","0.003","14.165","0.006","90","","90","","90","","2622.8","1.7","100","","","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C18 H30 Cl2 N4 Ni O12 -","- C18 H30 Cl2 N4 Ni O12 -","- C72 H120 Cl8 N16 Ni4 O48 -","4","0.5","","Okazawa, Atsushi; Nogami, Takashi; Ishida, Takayuki","tert-Butyl 2-Pyridyl Nitroxide Available as a Paramagnetic Chelate Ligand for Strongly Exchange-Coupled Metal−Radical Compounds","Chemistry of Materials","2007","19","11","2733","","10.1021/cm070698g","","","0.71069","MoKα","","","0.054","","","","0.0667","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002370","5.4162","","5.1335","","9.9369","","90","","90","","90","","276.286","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- Bi Ga O3 -","- Bi Ga O3 -","- Bi4 Ga4 O12 -","4","0.5","","Belik, A.A.; Matsui, Y.; Kamiyama, T.; Wuernisha, T.; Mori, K.; Maie, M.; Nagai, T.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3","Chemistry of Materials (1,1989-)","2006","18","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4003279","22.031","0.004","8.6634","0.0014","6.8845","0.001","90","","90","","90","","1314","0.4","100","2","99.99","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.1107","0.0988","","","0.2546","0.2626","","","","","","1.186","","","","has coordinates","231484","2020-10-21","18:00:00",""
"4020856","21.506","0.008","15.279","0.005","21.305","0.007","90","","90","","90","","7001","4","223","2","223","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C65 H88 N20 O14 S4 -","- C47 H50.982 N20 O4.5 S3 -","- C188 H203.928 N80 O18 S12 -","4","0.5","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4025017","29.225","0.002","11.0806","0.0009","21.7721","0.0017","90","","90","","90","","7050.5","1","100","2","100","2","","","","","","","","3","P c c a","-P 2a 2ac","54","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C86 H112 O4 -","- C86 H112 O4 -","- C344 H448 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1458","0.083","","","0.207","0.2388","","","","","","1.055","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4028127","22.857","0.001","7.33","0.001","23.337","0.001","90","","90","","90","","3909.9","0.6","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","2,9-dibutyl-3,8-dichloronaphtho[1,2-b:8,7-b']dithiophene","","- C22 H22 Cl2 S2 -","- C22 H22 Cl2 S2 -","- C176 H176 Cl16 S16 -","8","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","x-ray","1.54178","CuKα","","0.0751","0.0563","","","0.1627","0.1963","","","","","","1.061","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4033231","17.8938","0.0004","15.0422","0.0004","8.53393","0.00018","90","","90","","90","","2297.01","0.09","110","2","110","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C108 H84 B4 S8 -","4","0.5","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","1.54178","CuKα","","0.0391","0.0337","","","0.09","0.0942","","","","","","1.048","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4035344","11.1803","0.0013","7.9059","0.0009","21.793","0.002","90","","90","","90","","1926.3","0.4","200","2","200","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0964","0.0557","","","0.1084","0.1225","","","","","","1.071","","","","has coordinates","226801","2020-10-21","18:00:00",""
"4061568","28.034","0.005","19.327","0.003","10.7343","0.0019","90","","90","","90","","5816","1.7","123","2","123","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C60 H108 Si4 -","- C60 H108 Si4 -","- C240 H432 Si16 -","4","0.5","","Tsutsui, Shinobu; Kwon, Eunsang; Tanaka, Hiromasa; Matsumoto, Shigeki; Sakamoto, Kenkichi","","Organometallics","2005","","","","","10.1021/om050362l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4065827","26.6205","0.0005","8.4091","0.0001","16.9137","0.0003","90","","90","","90","","3786.21","0.11","183","2","183","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H25 N3 O Zn2 -","- C17 H25 N3 O Zn2 -","- C136 H200 N24 O8 Zn16 -","8","1","","Kahnes, Marcel; Görls, Helmar; González, Leticia; Westerhausen, Matthias","Synthesis and Catalytic Reactivity of Bis(alkylzinc)-hydride-di(2-pyridylmethyl)amides","Organometallics","2010","29","14","3098","","10.1021/om100153z","","","0.71073","MoKα","","0.0531","0.0352","","","0.0854","0.0931","","","","","","1.016","","","","has coordinates,has disorder","178551","2020-10-21","18:00:00",""
"4071633","27.712","0.006","10.5495","0.0018","20.635","0.004","90","","90","","90","","6033","2","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C26 H37 N2 O10.5 S2 -","- C26 H37 N2 O10.5 S2 -","- C208 H296 N16 O84 S16 -","8","1","","Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A.","Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes","Organometallics","2008","27","16","4056","","10.1021/om800282h","","","0.71073","MoKα","","0.132","0.0546","","","0.0851","0.1056","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084255","11.959","0.005","11.908","0.006","11.221","0.004","90","","90","","90","","1598","1.2","100","2","100","","","","","","","","","4","P c c a","-P 2a 2ac","54","","3,8-di-tert-butylnaphtho[1,8-cd][1,2]thiaselenole","","- C18 H22 S Se -","- C18 H22 S Se -","- C72 H88 S4 Se4 -","4","0.5","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71075","MoKα","","0.0499","0.0483","","","0.0917","0.0923","","","","","","1.208","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4086117","26.403","0.005","12.048","0.002","12.972","0.003","90","","90","","90","","4126.4","1.4","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H33 N O3 Si4 -","- C13 H33 N O3 Si4 -","- C104 H264 N8 O24 Si32 -","8","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0793","0.0753","","","0.1458","0.1478","","","","","","1.389","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086118","26.703","0.005","12.277","0.003","13.29","0.003","90","","90","","90","","4356.9","1.7","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C14 H35 N O3 Si4 -","- C14 H35 N O3 Si4 -","- C112 H280 N8 O24 Si32 -","8","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.1009","0.0812","","","0.1834","0.1968","","","","","","1.136","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086453","15.099","0.004","10.77","0.003","20.223","0.005","90","","90","","90","","3288.6","1.5","133","2","133","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C32 H46 Ge2 Li2 N4 -","- C32 H46 Ge2 Li2 N4 -","- C128 H184 Ge8 Li8 N16 -","4","0.5","","Seow, Celestine; Xi, Hong-Wei; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Germylidenide Anion from the C‒C Bond Activation of a Bis(germylene)","Organometallics","2016","35","8","1060","","10.1021/acs.organomet.5b01001","","","0.71073","MoKα","","0.1222","0.0728","","","0.1523","0.1724","","","","","","1.09","","","","has coordinates","182519","2020-10-21","18:00:00",""
"4105813","16.838","0.003","11.026","0.002","22.41","0.005","90","","90","","90","","4160.5","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H33 N3 O11 Zn2 -","- C42 H24 N3 O11 Zn2 -","- C168 H96 N12 O44 Zn8 -","4","0.5","","Sanhita Pramanik; Chong Zheng; Xiao Zhang; Thomas J. Emge; Jing Li","New Microporous Metal-Organic Framework Demonstrating Unique Selectivity for Detection of High Explosives and Aromatic Compounds","Journal of the American Chemical Society","2011","133","","4153","4155","10.1021/ja106851d","","","0.71073","MoKα","","0.1134","0.0626","","","0.1835","0.2265","","","","","","1.065","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4106112","32.975","0.003","43.449","0.009","27.608","0.004","90","","90","","90","","39555","11","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C224 H248 Cl60 N28 O24 Ru12 -","- C214 H238 Cl30 N28 O24 Ru12 -","- C856 H952 Cl120 N112 O96 Ru48 -","4","0.5","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.1974","0.1557","","","0.3628","0.3772","","","","","","2.233","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4107074","36.363","","15.363","","15.08","","90","","90","","90","","8424.36","","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","11112s","(CupyN2ipr2)(H2O)","","- C31 H39 Cu N3 O2 -","- C62 H78 Cu2 N6 O6 -","- C248 H312 Cu8 N24 O24 -","4","0.5","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.063","0.0474","","","0.1361","0.1425","","","","","","1.083","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4108101","37.4329","0.0014","19.7762","0.0008","18.5622","0.0007","90","","90","","90","","13741.2","0.9","100","","100","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C24 H26 Ga10 N4 S16 -","- C24 H26 Ga10 N4 S16 -","- C192 H208 Ga80 N32 S128 -","8","1","","Paz Vaqueiro; M. Lucia Romero","Gallium-Sulfide Supertetrahedral Clusters as Building Blocks of Covalent Organic-Inorganic Networks","Journal of the American Chemical Society","2008","130","","9630","9631","10.1021/ja801619e","","","0.71073","MoKα","","0.1341","0.0424","","0.1155","0.0448","0.0448","","","","","","1.0998","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4109177","38.1126","0.0017","25.3743","0.0011","27.1887","0.0012","90","","90","","90","","26294","2","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C76 H90 Mn5 N O42 Sb12 -","- C75.88 H62.9 Mn5 N O42 Sb12 -","- C607.04 H503.2 Mn40 N8 O336 Sb96 -","8","1","","Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny","Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand","Journal of the American Chemical Society","2007","129","","3042","3043","10.1021/ja068214p","","","0.6709","synchrotron","","0.0824","0.0613","","","0.1852","0.2058","","","","","","1.083","","","","has coordinates,has disorder","178837","2020-10-21","18:00:00",""
"4110507","22.2156","0.0014","14.587","0.0009","8.9384","0.0005","90","","90","","90","","2896.6","0.3","193","2","193","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C34 H14 F12 -","- C34 H14 F12 -","- C136 H56 F48 -","4","0.5","","Noach Treitel; Lior Eshdat; Tuvia Sheradsky; Patrick M. Donovan; Rik R. Tykwinski; Lawrence T. Scott; Henning Hopf; Mordecai Rabinovitz","Reductive Bergman-Type Cyclizations of Cross-Conjugated Enediynes to Fulvene and Fulvalene Anions: The Role of the Substituent","Journal of the American Chemical Society","2006","128","","4703","4709","10.1021/ja0566477","","","0.71073","MoKα","","0.0786","0.0463","","","0.1053","0.1197","","","","","","1.023","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4111194","39.156","0.001","14.1598","0.0004","11.7448","0.0003","90","","90","","90","","6511.8","0.3","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C39 H38.24 Cl1.76 O4.12 -","- C38.9999 H38.2416 Cl1.758 O4.1209 -","- C311.999 H305.933 Cl14.064 O32.9672 -","8","1","","Rabih O. Al-Kaysi; Astrid M. Müller; Christopher J. Bardeen","Photochemically Driven Shape Changes of Crystalline Organic Nanorods","Journal of the American Chemical Society","2006","128","","15938","15939","10.1021/ja064535p","","","0.71073","MoKα","","0.0714","0.0463","","","0.1228","0.1374","","","","","","1.035","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4118379","16.3363","0.0006","14.3221","0.0005","18.8718","0.0006","90","","90","","90","","4415.4","0.3","90","2","90","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C38 H26 Cs2 F14 N2 O8 Pd2 -","- C35 H20 Cs2 F14 N2 O7 Pd2 -","- C140 H80 Cs8 F56 N8 O28 Pd8 -","4","0.5","","Xing-Guo Zhang; Hui-Xiong Dai; Masayuki Wasa; Jin-Quan Yu","Pd(II)-Catalyzed Ortho Trifluoromethylation of Arenes and Insights into the Coordination Mode of Acidic Amide Directing Groups","Journal of the American Chemical Society","2012","134","","11948","11951","10.1021/ja305259n","","","0.71073","MoKα","","0.0248","0.0191","","","0.0413","0.0428","","","","","","1.037","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4121202","24.256","0.005","23.817","0.005","25.791","0.005","90","","90","","90","","14900","5","213","2","213","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C48 H88 Cl10 N12 W2 -","- C48 H88 Cl10 N12 W2 -","- C384 H704 Cl80 N96 W16 -","8","1","","Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo","Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents","Journal of the American Chemical Society","2013","135","","17889","17896","10.1021/ja408291k","","","0.71073","MoKα","","0.0631","0.027","","","0.0609","0.0677","","","","","","0.941","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4125609","17.719","0.0005","12.4759","0.0006","9.2314","0.0004","90","","90","","90","","2040.7","0.14","173","2","173","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","0.5","","Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail","Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.","Journal of the American Chemical Society","2017","139","10","3721","3727","10.1021/jacs.6b12094","","","0.71073","MoKα","","0.1394","0.0822","","","0.1796","0.215","","","","","","1.264","","","","has coordinates","194834","2020-10-21","18:00:00",""
"4133076","17.525","0.008","8.667","0.004","18.103","0.005","90","","90","","90","","2749.6","1.9","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C35 H26 B2 Cl2 -","- C35 H26 B2 Cl2 -","- C140 H104 B8 Cl8 -","4","0.5","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0387","0.0322","","","0.0837","0.0884","","","","","","1.04","","","","has coordinates","242923","2020-10-21","18:00:00",""
"4133184","19.6677","0.001","14.8601","0.0007","14.6996","0.0008","90","","90","","90","","4296.2","0.4","223","2","223","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H56 Br2 N4 Ni -","- C46 H56 Br2 N4 Ni -","- C184 H224 Br8 N16 Ni4 -","4","0.5","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","0.71073","","","0.0694","0.0363","","","0.0785","0.0918","","","","","","1.032","","","","has coordinates","243020","2020-10-21","18:00:00",""
"4133580","17.6886","0.0003","14.3121","0.0002","19.8456","0.0002","90","","90","","90","","5024.13","0.12","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C50 H66 N4 Ni Si2 -","- C50 H66 N4 Ni Si2 -","- C200 H264 N16 Ni4 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.065","0.0513","","","0.1229","0.1347","","","","","","1.033","","","","has coordinates,has disorder","243335","2020-10-21","18:00:00",""
"4134661","7.2423","0.0014","9.97","0.002","19.83","0.004","90","","90","","90","","1431.8","0.5","173.15","","173.15","","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C8 H18 Cd O11 -","- C8 H12 Cd O11 -","- C32 H48 Cd4 O44 -","4","0.5","","Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13473","","","0.71073","MoKα","","0.0324","0.0322","","","0.0845","0.0848","","","","","","1.001","","","","has coordinates","250569","2020-10-21","18:00:00",""
"4300401","14.2898","0.0019","13.5492","0.0017","27.536","0.004","90","","90","","90","","5331.4","1.2","103","2","103","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C18 H26 Cd Cl2 N2 O8 S4 -","- C18 H26 Cd Cl2 N2 O8 S4 -","- C144 H208 Cd8 Cl16 N16 O64 S32 -","8","1","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4308127","15.078","0.008","6.669","0.004","23.526","0.013","90","","90","","90","","2366","2","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- H16 K6 O21 U2 -","- K6 O21 U2 -","- K24 O84 U8 -","4","0.5","","Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns","Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes","Inorganic Chemistry","2007","46","","3657","3662","10.1021/ic070118h","","","0.71073","MoKα","","0.1975","0.0589","","","0.1283","0.1733","","","","","","0.852","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308560","15.778","0.007","25.808","0.011","23.676","0.01","90","","90","","90","","9641","7","293","2","293","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C34 H42 F6 N4 O12.5 P Ru3 -","- C34 H41 F6 N4 O12.5 P Ru3 -","- C272 H328 F48 N32 O100 P8 Ru24 -","8","1","","Jing-Lin Chen; Xu-Dong Zhang; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Syntheses and Characterization of Oxo-Centered Triruthenium Compounds with Orthometalated Bipyridine","Inorganic Chemistry","2005","44","","1037","1043","10.1021/ic048681c","","","0.71073","MoKα","","0.0883","0.0838","","","0.1957","0.1978","","","","","","1.212","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312328","40.242","0.002","19.4218","0.0011","22.3155","0.0013","90","","90","","90","","17441.2","1.7","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C88.5 H95 Fe4 N2 O S8 -","- C84 H62 Fe4 N1.5 O S8 -","- C672 H496 Fe32 N12 O8 S64 -","8","1","","Latévi M. Lawson Daku; Jacques Pécaut; Alix Lenormand-Foucaut; Béatrice Vieux-Melchior; Peter Iveson; Jeanne Jordanov","Investigation of the Reduced High-Potential Iron-Sulfur Protein from Chromatium vinosumand Relevant Model Compounds: A Unified Picture of the Electronic Structure of [Fe4S4]2+ Systems through Magnetic and Optical Studies","Inorganic Chemistry","2003","42","","6824","6850","10.1021/ic034494n","","","0.71073","MoKα","","0.1356","0.0927","","","0.2484","0.2636","","","","","","1.422","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312453","14.6795","0.0007","9.3712","0.0005","18.2825","0.0012","90","","90","","90","","2515","0.2","297","","","","","","","","","","Local laboratory","6","P c c a","-P 2a 2ac","54","","","","- C20 H36 Cl2 N4 Ni O4 -","- C20 H36 Cl2 N4 Ni O4 -","- C80 H144 Cl8 N16 Ni4 O16 -","4","0.5","","Maximilian N. Kopylovich; Armando J. L. Pombeiro; Andreas Fischer; Lars Kloo; Vadim Yu. Kukushkin","Facile Ni(II)/Ketoxime-Mediated Conversion of Organonitriles into Imidoylamidine Ligands. Synthesis of Imidoylamidines and Acetyl Amides","Inorganic Chemistry","2003","42","","7239","7248","10.1021/ic0349813","","","0.71073","MoKα","","0.075","0.0449","","","0.1081","0.1302","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315199","12.303","0.0008","6.4579","0.0003","6.4891","0.0003","90","","90","","90","","515.57","0.05","150","2","150","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- F4 O3 P2 -","- F4 O3 P2 -","- F16 O12 P8 -","4","0.5","","Xiaoqing Zeng; Michael Gerken; Helmut Beckers; Helge Willner","Spectroscopic and Structural Studies of Difluorophosphoryl Azide F2P(O)N3, Difluorophosphoryl Isocyanate F2P(O)NCO, and Difluorophosphoric Acid Anhydride, F2(O)POP(O)F2","Inorganic Chemistry","2010","49","","3002","3010","10.1021/ic902524u","","","0.71073","MoKα","","0.0318","0.0262","","","0.0734","0.0754","","","","","","1.046","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4319598","27.468","0.006","10.663","0.002","13.552","0.003","90","","90","","90","","3969.3","1.4","120","2","120","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C15 H32 N6 Ni O6 -","- C15 H32 N6 Ni O6 -","- C120 H256 N48 Ni8 O48 -","8","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.2419","0.0977","","0.1671","0.1214","","","","1.081","1.325","1.325","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00",""
"4321695","16.911","0.001","10.5063","0.0009","9.0357","0.0006","90","","90","","90","","1605.4","0.2","213","2","213","2","","","","","","","synthesized","4","P c c a","-P 2a 2ac","54","","Catena(bis(μ3-trifluoroacetato,O,O,O')-bis(/m2-trifluoroacetato,O,O')- -di-copper(II))","","- C8 Cu2 F12 O8 -","- C8 Cu2 F11.904 O8 -","- C32 Cu8 F47.616 O32 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Syntheses and Crystal Structures of ""Unligated"" Copper(I) and Copper(II) Trifluoroacetates","Inorganic Chemistry","2000","39","","6072","6079","10.1021/ic000663h","","","0.71073","MoKα","","0.0681","0.0616","","0.1524","0.1458","","","","1.109","1.125","1.125","","","","","has coordinates,has disorder","179319","2020-10-21","18:00:00",""
"4322420","11.108","0.002","8.886","0.002","15.397","0.003","90","","90","","90","","1519.8","0.5","115","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C7 H2 Cu6 N8 -","- C3.5 H Cu3 N4 -","- C28 H8 Cu24 N32 -","8","1","","Douglas J. Chesnut; Anakarin Kusnetzow; Robert Birge; Jon Zubieta","Ligand Influences on Copper Cyanide Solid-State Architecture: Flattened and Fused ""Slinky"", Corrugated Sheet, and Ribbon Motifs in the Copper-Cyanide-Triazolate-Organoamine Family","Inorganic Chemistry","1999","38","","5484","5494","10.1021/ic990385q","","","0.71073","MoKα","","0.0304","0.024","","","0.0608","0.0627","","","","","","1.026","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4325334","15.9859","0.0002","29.3812","0.0005","37.629","0.0006","90","","90","","90","","17673.8","0.5","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C295 H512 N28 Na4 Si24 Sr4 -","- C295 H512 N28 Na4 Si24 Sr4 -","- C590 H1024 N56 Na8 Si48 Sr8 -","2","0.25","","Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall","N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides","Inorganic Chemistry","2011","50","","5234","5241","10.1021/ic2005634","","","0.71073","MoKα","","0.1664","0.0647","","","0.1304","0.1664","","","","","","1.015","","","","has coordinates,has disorder","179356","2020-10-21","18:00:00",""
"4328466","11.9887","0.0004","18.6365","0.0004","17.9807","0.0006","90","","90","","90","","4017.4","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C45 H38 N3 O9 Zn2 -","- C45 H38 N3 O9 Zn2 -","- C180 H152 N12 O36 Zn8 -","4","0.5","","Yan-Ping He; Yan-Xi Tan; Fei Wang; Jian Zhang","Microporous Zinc Tris[(4-carboxyl)phenylduryl]amine Framework with an Unusual Topological Net for Gas Storage and Separation","Inorganic Chemistry","2012","51","","1995","1997","10.1021/ic202713e","","","0.71073","MoKα","","0.0628","0.0461","","","0.143","0.1612","","","","","","1.164","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4329419","11.98","0.002","18.625","0.004","17.982","0.004","90","","90","","90","","4012.3","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C45 H39 N3 O9 Zn2 -","- C45 H39 N3 O9 Zn2 -","- C180 H156 N12 O36 Zn8 -","4","0.5","","Dabin Shi; Yanwei Ren; Huanfeng Jiang; Bowei Cai; Jiaxian Lu","Synthesis, Structures, and Properties of Two Three-Dimensional Metal-Organic Frameworks, Based on Concurrent Ligand Extension","Inorganic Chemistry","2012","51","","6498","6506","10.1021/ic202624e","","","0.71073","MoKα","","0.0567","0.0449","","","0.1325","0.1401","","","","","","1.091","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4330302","16.7758","0.0006","11.0644","0.0003","22.4317","0.0008","90","","90","","90","","4163.6","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C41 H24 N3 O11 Zn2 -","- C41 H24 N3 O11 Zn2 -","- C164 H96 N12 O44 Zn8 -","4","0.5","","Yan-Xi Tan; Yan-Ping He; Jian Zhang","Tuning MOF Stability and Porosity via Adding Rigid Pillars","Inorganic Chemistry","2012","51","","9649","9654","10.1021/ic300778m","","","0.71073","MoKα","","0.0714","0.0558","","","0.1597","0.178","","","","","","1.088","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4333330","24.1931","0.0009","11.7696","0.0005","18.488","0.0006","90","","90","","90","","5264.3","0.3","298","2","298","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H62 Cl4 Cu2 N10 O18 -","- C36 H58 Cl4 Cu2 N10 O18 -","- C144 H232 Cl16 Cu8 N40 O72 -","4","0.5","","Company, Anna; Jee, Joo-Eun; Ribas, Xavi; Lopez-Valbuena, Josep Maria; Gómez, Laura; Corbella, Montserrat; Llobet, Antoni; Mahía, José; Benet-Buchholz, Jordi; Costas, Miquel; van Eldik, Rudi","Structural and Kinetic Study of Reversible CO2Fixation by Dicopper Macrocyclic Complexes. From Intramolecular Binding to Self-Assembly of Molecular Boxes","Inorganic Chemistry","2007","46","22","9098","9110","10.1021/ic700692t","","","0.71073","MoKα","","0.1561","0.0696","","0.187","0.144","","","","1.044","1.179","1.179","","","","","has coordinates,has disorder","179436","2020-10-21","18:00:00",""
"4334228","34.168","0.005","17.174","0.003","18.038","0.003","90","","90","","90","","10585","3","173","2","173","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C54 H62 Fe N8 O3 -","- C54 H62 Fe N8 O3 -","- C432 H496 Fe8 N64 O24 -","8","1","","Brenda A. Frazier; Valerie A. Williams; Peter T. Wolczanski; Suzanne C. Bart; Karsten Meyer; Thomas R. Cundari; Emil B. Lobkovsky","C-C Bond Formation and Related Reactions at the CNC Backbone in (smif)FeX (smif = 1,3-Di-(2-pyridyl)-2-azaallyl): Dimerizations, 3 + 2 Cyclization, and Nucleophilic Attack; Transfer Hydrogenations and Alkyne Trimerization (X = N(TMS)2, dpma = (Di-(2-pyridyl-methyl)-amide))","Inorganic Chemistry","2013","52","","3295","3312","10.1021/ic302783y","","","0.71073","MoKα","","0.1284","0.0631","","","0.1469","0.1702","","","","","","0.925","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4335092","19.9827","0.0006","24.1195","0.001","23.8593","0.0007","90","","90","","90","","11499.5","0.7","102.2","","102.2","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H83.5 Mo6 N3.5 O20.5 -","- C41.804 H83.01 Mo6 N3.5 O20.451 -","- C334.432 H664.08 Mo48 N28 O163.608 -","8","1","","Guohui Sima; Qiang Li; Yi Zhu; Chunlin Lv; Rao Naumaan Nasim Khan; Jian Hao; Jin Zhang; Yongge Wei","Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations","Inorganic Chemistry","2013","52","","6551","6558","10.1021/ic4005278","","","0.71073","MoKα","","0.0749","0.0481","","","0.138","0.1589","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336562","23.0929","0.0016","14.8314","0.001","19.2077","0.0011","90","","90","","90","","6578.6","0.7","98","2","98","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C82 H76 Fe N8 -","- C82 H76 Fe N8 -","- C328 H304 Fe4 N32 -","4","0.5","","Daniel J. Meininger; Jonathan D. Caranto; Hadi D. Arman; Zachary J. Tonzetich","Studies of Iron(III) Porphyrinates Containing Silanethiolate Ligands","Inorganic Chemistry","2013","52","","12468","12476","10.1021/ic401467k","","","0.71073","MoKα","","0.0697","0.0517","","","0.1251","0.1349","","","","","","1.029","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4337946","12.0144","0.0004","16.9892","0.0006","31.2716","0.0013","90","","90","","90","","6383","0.4","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C26 H25 Ag3 Fe N8 O2 -","- C25.99 H12 Ag3 Fe N8 O1.99 -","- C207.92 H96 Ag24 Fe8 N64 O15.92 -","8","1","","Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.","Inorganic chemistry","2014","53","8","4039","4046","10.1021/ic403069d","","","1.54178","CuKα","","0.1243","0.0948","","","0.2454","0.2657","","","","","","1.108","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337947","12.0015","0.0005","17.0849","0.0008","31.3706","0.0016","90","","90","","90","","6432.4","0.5","180","2","180","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C26 H25 Ag3 Fe N8 O2 -","- C21 H12 Ag3 Fe N7 -","- C168 H96 Ag24 Fe8 N56 -","8","1","","Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.","Inorganic chemistry","2014","53","8","4039","4046","10.1021/ic403069d","","","1.54178","CuKα","","0.0869","0.0694","","","0.1869","0.1987","","","","","","0.996","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337948","12.0545","0.0004","17.28","0.0006","31.6186","0.0009","90","","90","","90","","6586.2","0.4","180","2","180","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C26 H25 Ag3 Fe N8 O2 -","- C21 H12 Ag3 Fe N7 -","- C168 H96 Ag24 Fe8 N56 -","8","1","","Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.","Inorganic chemistry","2014","53","8","4039","4046","10.1021/ic403069d","","","1.54178","CuKα","","0.1037","0.0774","","","0.206","0.2231","","","","","","0.919","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337982","41.486","0.003","15.5536","0.0011","20.7702","0.0014","90","","90","","90","","13402.1","1.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C54 H72 Co11 N3 O24 -","- C54 H72 Co11 N3 O24 -","- C432 H576 Co88 N24 O192 -","8","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.1042","0.0558","","","0.1253","0.1493","","","","","","1.153","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4342041","19.2422","0.0013","10.4155","0.0009","12.9086","0.001","90","","90","","90","","2587.1","0.3","100","1","100","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C32 H20 Fe N6 O6 -","- C32 H20 Fe N6 O6 -","- C128 H80 Fe4 N24 O24 -","4","0.5","","Iasco, Olga; Rivière, Eric; Guillot, Régis; Buron-Le Cointe, Marylise; Meunier, Jean-François; Bousseksou, Azzedine; Boillot, Marie-Laure","Fe(II)(pap-5NO2)2 and Fe(II)(qsal-5NO2)2 Schiff-Base Spin-Crossover Complexes: A Rare Example with Photomagnetism and Room-Temperature Bistability.","Inorganic chemistry","2015","54","4","1791","1799","10.1021/ic5027043","","x-ray","0.71073","MoKα","","0.0902","0.0547","","","0.1333","0.1557","","","","","","1.036","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342820","17.888","0.005","18.35","0.006","22.569","0.007","90","","90","","90","","7408","4","100","2","100","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C32 H30 F12 N8 O0.25 P2 Ru -","- C32 H30 F12 N8 O0.25 P2 Ru -","- C256 H240 F96 N64 O2 P16 Ru8 -","8","1","","Weisser, Fritz; Plebst, Sebastian; Hohloch, Stephan; van der Meer, Margarethe; Manck, Sinja; Führer, Felix; Radtke, Vanessa; Leichnitz, Daniel; Sarkar, Biprajit","Tuning ligand effects and probing the inner-workings of bond activation steps: generation of ruthenium complexes with tailor-made properties.","Inorganic chemistry","2015","54","10","4621","4635","10.1021/ic502807d","","","0.71073","MoKα","","0.0944","0.0667","","","0.1803","0.2081","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4348875","13.558","0.001","22.2467","0.0017","28.65","0.002","90","","90","","90","","8641.4","1.1","293","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 N12 Ni2 -","- C60 H48 Ag13 Br17 N12 Ni2 -","- C240 H192 Ag52 Br68 N48 Ni8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1294","0.0629","","","0.1341","0.1619","","","","","","1.018","","","","has coordinates","233454","2020-10-21","18:00:00",""
"4348876","13.4518","0.0008","22.1531","0.0013","28.5598","0.0017","90","","90","","90","","8510.8","0.9","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 Fe2 N12 -","- C60 H48 Ag13 Br17 Fe2 N12 -","- C240 H192 Ag52 Br68 Fe8 N48 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1116","0.0581","","","0.1442","0.1714","","","","","","1.029","","","","has coordinates","233455","2020-10-21","18:00:00",""
"4348877","13.5393","0.0009","22.1749","0.0015","28.5403","0.0019","90","","90","","90","","8568.7","1","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H44 Ag13 Br17 Co2 N12 -","- C60 H44 Ag13 Br17 Co2 N12 -","- C240 H176 Ag52 Br68 Co8 N48 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1141","0.06","","","0.1572","0.1893","","","","","","1.032","","","","has coordinates","233457","2020-10-21","18:00:00",""
"4348878","13.6525","0.0006","22.3249","0.0009","28.6791","0.0012","90","","90","","90","","8741.1","0.6","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C60 H48 Ag13 Br17 N12 Zn2 -","- C60 H48 Ag13 Br17 N12 Zn2 -","- C240 H192 Ag52 Br68 N48 Zn8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.1076","0.0577","","","0.1408","0.1652","","","","","","1.016","","","","has coordinates","233458","2020-10-21","18:00:00",""
"4349859","11.033","0.002","12.713","0.003","36.597","0.007","90","","90","","90","","5133.2","1.8","386","2","386.3","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 In N3 O9 -","- C46 H34 In N3 O9 -","- C184 H136 In4 N12 O36 -","4","0.5","","Hou, Sheng-Li; Dong, Jie; Jiao, Zhuo-Hao; Jiang, Xiao-Lei; Yang, Xiu-Pei; Zhao, Bin","Trace water accelerating the CO2 cycloaddition reaction catalyzed by an indium‒organic framework","Inorganic Chemistry Frontiers","2018","5","7","1694","","10.1039/C8QI00260F","","","0.71073","MoKα","","0.1175","0.0895","","","0.2413","0.2604","","","","","","1.182","","","","has coordinates","236895","2020-10-21","18:00:00",""
"4503912","17.999","0.01","8.518","0.005","10.203","0.006","90","","90","","90","","1564.3","1.6","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C12 H8 Cu2 N4 S3 -","- C12 H8 Cu2 N4 S3 -","- C48 H32 Cu8 N16 S12 -","4","0.5","","Hao, Zheng-Ming; Zhang, Xian-Ming","Ligand Concentration Controlled Supramolecular Isomerism in Two CuSCN Based Coordination Polymers with in Situ Synthesized 4,4‘-Dipyridylsulfide as a Co-Ligand","Crystal Growth & Design","2007","7","1","64","","10.1021/cg060371c","","","0.71073","MoKα","","0.0987","0.0635","","","0.1413","0.1836","","","","","","1.08","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504449","16.022","0.003","4.0404","0.0007","25.154","0.004","90","","90","","90","","1628.4","0.5","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C10 H10 Ag3 Cl3 N2 S2 -","- C10 H10 Ag3 Cl3 N2 S2 -","- C40 H40 Ag12 Cl12 N8 S8 -","4","0.5","","Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang","Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions","Crystal Growth & Design","2007","7","11","2352","","10.1021/cg070622x","","","0.71073","MoKα","","0.0705","0.0598","","","0.1396","0.1457","","","","","","1.116","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4505095","14.268","0.004","5.0065","0.0012","15.557","0.004","90","","90","","90","","1111.3","0.5","298","2","298","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C7 H8 Ag Cl N4 O4 -","- C7 H8 Ag Cl N4 O4 -","- C28 H32 Ag4 Cl4 N16 O16 -","4","0.5","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.0503","0.0357","","","0.0798","0.0866","","","","","","1.07","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4506176","26.397","0.002","8.3246","0.0007","18.7008","0.0015","90","","90","","90","","4109.4","0.6","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Ag N2 O2 -","- C17 H12 Ag N2 O2 -","- C136 H96 Ag8 N16 O16 -","8","1","","Sun, Di; Yan, Zhi-Hao; Liu, Meijiao; Xie, Hanyi; Yuan, Shuai; Lu, Haifeng; Feng, Shengyu; Sun, Daofeng","Three- and Eight-Fold Interpenetrated ThSi2Metal‒Organic Frameworks Fine-Tuned by the Length of Ligand","Crystal Growth & Design","2012","12","6","2902","","10.1021/cg300085f","","","0.71073","MoKα","","0.0415","0.0318","","","0.0828","0.0866","","","","","","1.037","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4510710","20.4755","0.0009","8.2373","0.0003","18.8511","0.0009","90","","90","","90","","3179.5","0.2","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C12 H16 Ag B F4 N3 O1.5 -","- C12 H13 Ag B F4 N3 O1.5 -","- C96 H104 Ag8 B8 F32 N24 O12 -","8","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0773","0.0644","","","0.1614","0.1695","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511147","18.688","0.0011","13.417","0.0014","19.416","0.0015","90","","90","","90","","4868.3","0.7","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C56 H42 N8 O9 Zn2 -","- C56 H42 N8 O9 Zn2 -","- C224 H168 N32 O36 Zn8 -","4","0.5","","Li, Shun-Li; Lan, Ya-Qian; Qin, Jun-Sheng; Ma, Jian-Fang; Liu, Jie; Yang, Jin","Assembly of 3D Metal-Organic Frameworks Based on Different Helical Units: Chiral and Achiral Structures Constructed by Length-Modulated N-Donor Ligands","Crystal Growth & Design","2009","9","9","4142","","10.1021/cg900371k","","","0.71069","MoKα","","0.0794","0.0419","","","0.1026","0.1238","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4513059","16.98325","0.00054","8.4671","0.00024","7.93214","0.0002","90","","90","","90","","1140.63","0.06","298","","298","","","","","","","","","4","P c c a","-P 2a 2ac","54","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-cd(ii)","","- C11 H14 Cd N4 -","- C11 H14 Cd N4 -","- C44 H56 Cd4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4516365","16.085","","16.0849","0.0013","20.246","0.0017","90","","90","","90","","5238.2","0.6","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H18 Cd N4 O6 S -","- C24 H18 Cd N4 O6 S -","- C192 H144 Cd8 N32 O48 S8 -","8","1","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0433","0.0345","","","0.0961","0.1019","","","","","","1.14","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4517050","21.559","0.001","13.4149","0.0007","11.4446","0.0004","90","","90","","90","","3309.9","0.3","120","2","120","2","","","","","","","Jose Giner Planas","7","P c c a","-P 2a 2ac","54","","","","- C16 H34 B20 Cl2 Co N2 O2 -","- C16 H34 B20 Cl2 Co N2 O2 -","- C64 H136 B80 Cl8 Co4 N8 O8 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0819","0.0654","","","0.1413","0.1479","","","","","","1.178","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7002737","22.844","0.003","11.4283","0.0014","19.349","0.003","90","","90","","90","","5051.4","1.2","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H18 Dy2 N36 O12 -","- C30 H18 Dy2 N36 O12 -","- C120 H72 Dy8 N144 O48 -","4","0.5","","Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique","Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes","Dalton Transactions","2009","","43","9578","9586","10.1039/b910811d","","","0.71073","MoKα","","0.058","0.0391","","","0.0924","0.0978","","","","","","0.92","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7006341","20.9474","0.0004","8.1081","0.0002","13.7728","0.0003","90","","90","","90","","2339.22","0.09","150","1","150","1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C17 H21 Cl2 Cu N6 O10 -","- C17 H21 Cl2 Cu N6 O10 -","- C68 H84 Cl8 Cu4 N24 O40 -","4","0.5","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0739","0.0492","","","0.129","0.1438","","","","","","1.022","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7011085","18.499","0.003","32.113","0.005","14.62","0.003","90","","90","","90","","8685","3","293","1","293","1","","","","","","","","6","P c c a","-P 2a 2ac","54","[Co(bipy)(NH3)4](ClO4)2.5(Cl)0.5.1.5H2O","tetra(ammino)(2,2'-bipyridine)cobalt(III) perchlorate hydrate","","- C10 H20 Cl3 Co N6 O11.5 -","- C10 H20 Cl3 Co N6 O11.5 -","- C160 H320 Cl48 Co16 N96 O184 -","16","2","","Funston, Alison M.; McFadyen, W. David; Tregloan, Peter A.","A pulse radiolysis study of the rate of ligand dissociation from mixed ligand cobalt(ii) complexes","Journal of the Chemical Society, Dalton Transactions","2002","","9","2053","","10.1039/b107392n","","","0.71073","mokα","","0.1637","0.099","","","0.3061","0.3455","","","","","","1.092","","","","has coordinates,has disorder","134500","2020-10-21","18:00:00",""
"7011763","19.107","0.004","16.659","0.003","14.724","0.003","90","","90","","90","","4686.7","1.6","123","2","123","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C49 H39 I3 La N11 -","- C49 H33 I3 La N11 -","- C196 H132 I12 La4 N44 -","4","0.5","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.0372","0.0272","","","0.0589","0.0624","","","","","","1.033","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011764","19.149","0.004","16.626","0.003","14.709","0.003","90","","90","","90","","4682.9","1.6","123","2","123","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C49 H39 Ce I3 N11 -","- C49 H33 Ce I3 N11 -","- C196 H132 Ce4 I12 N44 -","4","0.5","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.0423","0.0293","","","0.0674","0.073","","","","","","1.013","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011766","19.22","0.004","16.591","0.003","14.685","0.003","90","","90","","90","","4682.7","1.6","123","2","123","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C49 H39 I3 N11 Nd -","- C49 H33 I3 N11 Nd -","- C196 H132 I12 N44 Nd4 -","4","0.5","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.042","0.0292","","","0.0632","0.068","","","","","","1.022","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011767","19.198","0.004","16.591","0.003","14.677","0.003","90","","90","","90","","4674.8","1.6","123","2","123","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C49 H39 I3 N11 U -","- C49 H33 I3 N11 U -","- C196 H132 I12 N44 U4 -","4","0.5","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.0603","0.0402","","","0.0904","0.0994","","","","","","1.01","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7014544","17.419","0.004","9.1351","0.0018","15.583","0.003","90","","90","","90","","2479.6","0.9","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H24 Cd Cl2 N4 O2 -","- C24 H24 Cd Cl2 N4 O2 -","- C96 H96 Cd4 Cl8 N16 O8 -","4","0.5","","Liu, Dong; Li, Ni-Ya; Lang, Jian-Ping","Single-crystal to single-crystal transformation of 1D coordination polymer via photochemical [2+2] cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2170","2172","10.1039/c0dt00931h","","","0.71073","MoKα","","0.0617","0.0536","","","0.1391","0.147","","","","","","1.113","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7017542","29.26","0.004","11.863","0.001","18.725","0.002","90","","90","","90","","6499.7","1.3","180","","180","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C38 H52 F21 Na O24 Y2 -","- C38 H52 F21 Na O24 Y2 -","- C152 H208 F84 Na4 O96 Y8 -","4","0.5","","Mishra, Shashank; Ledoux, Gilles; Jeanneau, Erwann; Daniele, Stéphane; Joubert, Marie-France","Novel heterometal-organic complexes as first single source precursors for up-converting NaY(Ln)F(4) (Ln = Yb, Er, Tm) nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1490","1502","10.1039/c1dt11070e","","","0.71069","MoKα","","0.2072","0.0823","","0.1857","0.0955","0.1857","","","","","","1.2329","","","","has coordinates,has disorder","179879","2020-10-21","18:00:00",""
"7018289","17.7886","0.0004","8.5114","0.0002","19.2578","0.0005","90","","90","","90","","2915.74","0.12","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","tetrakis(miu3-4-pyridinoxo)-tetrakis(methanol)-tetra-lithium","tetrakis(miu3-4-pyridinoxo)- tetrakis(methanol)-tetra-lithium","","- C24 H32 Li4 N4 O8 -","- C24 H32 Li4 N4 O8 -","- C96 H128 Li16 N16 O32 -","4","0.5","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Lithium cubane clusters as tetrahedral, square planar, and linear nodes for supramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3902","3905","10.1039/c1dt11975c","","","0.71073","MoKα","","0.0997","0.0769","","","0.2207","0.2448","","","","","","1.062","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7019146","31.5198","0.0006","16.6893","0.0003","31.2344","0.0006","90","","90","","90","","16430.6","0.5","253","2","253","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C171 H195 F12 Li12 O24 -","- C171 H195 F12 Li12 O24 -","- C684 H780 F48 Li48 O96 -","4","0.5","","Nakajima, Hideto; Yasuda, Makoto; Baba, Akio","Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6602","6606","10.1039/c2dt30266g","","","0.71075","MoKα","","0.0986","0.0784","","","0.2378","0.2628","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019212","14.347","0.003","14.902","0.003","12.099","0.002","90","","90","","90","","2586.8","0.9","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C8 H14 Ca N4 O8 -","- C8 H14 Ca N4 O8 -","- C64 H112 Ca8 N32 O64 -","8","1","","Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8354","8360","10.1039/c2dt12353c","","","0.71073","MoKα","","0.0465","0.0395","","","0.0994","0.1038","","","","","","1.047","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7022141","22.9","0.0005","11.7896","0.0002","22.6981","0.0004","90","","90","","90","","6128.1","0.2","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C70 H56 Ag2 N6 P4 S2 -","- C70 H56 Ag2 N6 P4 S2 -","- C280 H224 Ag8 N24 P16 S8 -","4","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.7107","MoKα","","0.0885","0.0454","","","0.1171","0.1446","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022728","17.523","0.004","5.8825","0.0017","17.164","0.003","90","","90","","90","","1769.2","0.7","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C8 H12 Cd N6 O6 S3 -","- C8 H12 Cd N6 O6 S3 -","- C32 H48 Cd4 N24 O24 S12 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6429","6439","10.1039/c3dt32900c","","","0.71073","MoKα","","0.0457","0.0433","","","0.1225","0.1251","","","","","","1.011","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7024112","25.6038","0.0005","12.2125","0.0002","21.8379","0.0003","90","","90","","90","","6828.4","0.2","160","1","160","1","","","","","","","","7","P c c a","-P 2a 2ac","54","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}iron(II) hexafluorophosphate di-acetonitrile solvate","","- C74 H68 F12 Fe N8 O4 P2 -","- C74 H68 F12 Fe N8 O4 P2 -","- C296 H272 F48 Fe4 N32 O16 P8 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.1013","0.0663","","","0.1729","0.1991","","","","","","1.047","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024113","25.3072","0.0004","12.5642","0.0001","21.8238","0.0003","90","","90","","90","","6939.2","0.16","160","1","160","1","","","","","","","","7","P c c a","-P 2a 2ac","54","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}cobalt(II) hexafluorophosphate di-acetonitrile solvate","","- C74 H68 Co F12 N8 O4 P2 -","- C74 H68 Co F12.012 N8 O4 P2.002 -","- C296 H272 Co4 F48.048 N32 O16 P8.008 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.0969","0.0587","","","0.1593","0.1839","","","","","","1.046","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024114","25.3094","0.0004","12.6402","0.0002","21.9538","0.0003","90","","90","","90","","7023.37","0.18","160","1","160","1","","","","","","","","7","P c c a","-P 2a 2ac","54","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}nickel(II) hexafluorophosphate di-acetonitrile solvate","","- C74 H68 F12 N8 Ni O4 P2 -","- C74 H68 F12 N8 Ni O4 P2 -","- C296 H272 F48 N32 Ni4 O16 P8 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.1186","0.0737","","","0.1962","0.2276","","","","","","1.051","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024115","24.9866","0.0003","12.9263","0.0002","21.9263","0.0003","90","","90","","90","","7081.85","0.17","160","1","160","1","","","","","","","","7","P c c a","-P 2a 2ac","54","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}copper(II) hexafluorophosphate di-acetonitrile solvate","","- C74 H68 Cu F12 N8 O4 P2 -","- C74 H68 Cu F12 N8 O4 P2 -","- C296 H272 Cu4 F48 N32 O16 P8 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.0975","0.0662","","","0.1698","0.1918","","","","","","1.071","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024117","25.3777","0.0005","12.5601","0.0003","21.8678","0.0004","90","","90","","90","","6970.3","0.3","160","1","160","1","","","","","","","","7","P c c a","-P 2a 2ac","54","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}ruthenium(II) hexafluorophosphate di-acetonitrile solvate","","- C74 H68 F12 N8 O4 P2 Ru -","- C74 H68 F12 N6 O6 P2 Ru -","- C296 H272 F48 N24 O24 P8 Ru4 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.1094","0.0647","","","0.1672","0.1984","","","","","","1.052","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024118","25.3861","0.0005","12.5157","0.0003","21.8136","0.0004","90","","90","","90","","6930.7","0.2","160","1","160","1","","","","","","","","7","P c c a","-P 2a 2ac","54","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}osmium(II) hexafluorophosphate di-acetonitrile solvate","","- C74 H68 F12 N8 O4 Os P2 -","- C74 H68 F12 N8 O4 Os P2 -","- C296 H272 F48 N32 O16 Os4 P8 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71073","MoKα","","0.1058","0.0616","","","0.1528","0.1822","","","","","","1.065","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024119","24.974","0.001","12.912","0.001","22.066","0.001","90","","90","","90","","7115.5","0.7","160","1","160","1","","","","","","","","7","P c c a","-P 2a 2ac","54","","bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}zinc(II) hexafluorophosphate di-acetonitrile solvate","","- C74 H68 F12 N8 O4 P2 Zn -","- C74 H68 F12 N8 O4 P2 Zn -","- C296 H272 F48 N32 O16 P8 Zn4 -","4","0.5","","Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.","Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1519","1531","10.1039/b911272c","","","0.71","X-ray","","0.0747","0.0601","","","0.18","0.1903","","","","","","1.059","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7024363","15.0349","0.0012","12.3787","0.0009","15.7636","0.0012","90","","90","","90","","2933.8","0.4","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C9 H8 Cl2 Co N4 S2 -","- C9 H8 Cl2 Co N4 S2 -","- C72 H64 Cl16 Co8 N32 S16 -","8","1","","Amoedo, Almudena; Carballo, Rosa; García-Martínez, Emilia; Lago, Ana Belén; Vázquez-López, Ezequiel M","Molecular metallocycles, acyclic metallodimers and 2D coordination polymers containing the twisted ligand bis(pyrimidin-2-ylthio)methane.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2385","2394","10.1039/b915942h","","","0.71073","MoKα","","0.1686","0.0384","","","0.0474","0.0629","","","","","","0.788","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024846","30.139","0.005","11.19","0.005","22.14","0.005","90","0.005","90","0.005","90","0.005","7467","4","298","2","298","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C26 H32 F12 Fe N10 Sb2 -","- C26 H32 F12 Fe N10 Sb2 -","- C208 H256 F96 Fe8 N80 Sb16 -","8","1","","Hao, Erhong; Wang, Zhaoyun; Jiao, Lijuan; Wang, Shaowu","""Click"" tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2660","2666","10.1039/b922043g","","","0.71069","MoKα","","0.1685","0.084","","","0.2089","0.2509","","","","","","1.232","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7027655","21.542","0.006","11.463","0.003","29.377","0.015","90","","90","","90","","7254","5","293","","293","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C86.8 H73.3 O0.8 P4 Ru2 -","- C86.8 H70 O0.8 P4 Ru2 -","- C347.2 H280 O3.2 P16 Ru8 -","4","0.5","","Bruce, Michael I.; Hall, Ben C.; Kelly, Brian D.; Low, Paul J.; Skelton, Brian W.; White, Allan H.","An efficient synthesis of polyynyl and polyynediyl complexes of ruthenium(II) †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3719","","10.1039/a905174k","","","0.71073","MoKα","","0.151","0.058","","0.068","","0.053","","","1.342","","","1.767","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031792","22.8092","0.0009","22.1996","0.0009","24.9446","0.0009","90","","90","","90","","12630.8","0.8","100","1","100","1","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C172 H136 Ce2 O8 -","- C172 H136 Ce2 O8 -","- C688 H544 Ce8 O32 -","4","0.5","","Williams, Ursula J.; Schneider, David; Dorfner, Walter L.; Maichle-Mössmer, Cäcilia; Carroll, Patrick J.; Anwander, Reiner; Schelter, Eric J.","Variation of electronic transitions and reduction potentials of cerium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16197","16206","10.1039/c4dt01386g","","","0.71073","MoKα","","0.0903","0.0573","","","0.1309","0.1553","","","","","","1.06","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7032184","9.021","0.005","13.841","0.008","30.183","0.018","90","","90","","90","","3769","4","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H15 Fe N2 O6 -","- C20 H15 Fe N2 O6 -","- C160 H120 Fe8 N16 O48 -","8","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Structural diversity and magnetic properties of six metal-organic polymers based on semirigid tricarboxylate ligand of 3,5-bi(4-carboxyphenoxy)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15979","15989","10.1039/c4dt01953a","","","0.71073","MoKα","","0.0529","0.0426","","","0.1377","0.1509","","","","","","0.998","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7033041","13.6179","0.0009","14.7639","0.001","33.973","0.002","90","","90","","90","","6830.4","0.8","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C82 H58 Co2 N8 O9 -","- C82 H58 Co2 N8 O9 -","- C328 H232 Co8 N32 O36 -","4","0.5","","Meng, Fandian; Zhang, Mingdao; Shen, Kang; Li, Yizhi; Zheng, Hegen","A series of MOFs based on a triangular tri(4-pyridylphenyl)amine ligand combined with carboxylate or nitrate auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1412","1419","10.1039/c4dt02811b","","","0.71073","MoKα","","0.073","0.0614","","","0.1856","0.1896","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7039742","16.7834","0.0005","13.8374","0.0004","20.1138","0.0004","90","","90","","90","","4671.2","0.2","190","2","190.15","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er F9 N6 O17 S3 -","- C33 H28 Er F9 N6 O17 S3 -","- C132 H112 Er4 F36 N24 O68 S12 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.0783","0.0511","","","0.1259","0.1472","","","","","","1.023","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039743","16.7521","0.0004","13.8339","0.0004","20.0849","0.0004","90","","90","","90","","4654.6","0.2","190","2","190.15","","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er0.5 F9 N6 O17 S3 Yb0.5 -","- C33 H28 Er0.5 F9 N6 O17 S3 Yb0.5 -","- C132 H112 Er2 F36 N24 O68 S12 Yb2 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.0599","0.0412","","","0.1013","0.1141","","","","","","1.037","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039744","16.7519","0.0003","13.8277","0.0005","20.0855","0.0005","90","","90","","90","","4652.6","0.2","190","2","190.15","","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er0.2 F9 N6 O17 S3 Yb0.8 -","- C33 H28 Er0.2 F9 N6 O17 S3 Yb0.8 -","- C132 H112 Er0.8 F36 N24 O68 S12 Yb3.2 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.076","0.0483","","","0.1172","0.1334","","","","","","1.022","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039745","16.731","0.0002","13.8411","0.0004","20.0979","0.0004","90","","90","","90","","4654.18","0.17","293","2","293","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C33 H28 Er0.05 F9 N6 O17 S3 Yb0.95 -","- C33 H28 Er0.05 F9 N6 O17 S3 Yb0.95 -","- C132 H112 Er0.2 F36 N24 O68 S12 Yb3.8 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.0693","0.046","","","0.1101","0.1248","","","","","","1.052","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7039746","16.7217","0.0007","13.8732","0.0007","20.1258","0.0009","90","","90","","90","","4668.9","0.4","190","2","190.15","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H28 F9 N6 O17 S3 Yb -","- C33 H28 F9 N6 O16.999 S3 Yb -","- C132 H112 F36 N24 O67.996 S12 Yb4 -","4","0.5","","Chong, Bowie S. K.; Moore, Evan G.","Structure and efficient luminescence upconversion of Ln(iii) aromatic N-oxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12200","12205","10.1039/c6dt01828a","","x-ray","0.71073","MoKα","","0.098","0.0566","","","0.1711","0.1831","","","","","","0.993","","","","has coordinates,has disorder","185327","2020-10-21","18:00:00",""
"7041804","46.221","0.002","8.9997","0.0004","17.4129","0.0008","90","","90","","90","","7243.3","0.6","150","","150","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C62 H96 Cl6 N11 O9.5 Zn3 -","- C62 H93 Cl6 N11 O9.5 Zn3 -","- C248 H372 Cl24 N44 O38 Zn12 -","4","0.5","","Ikeda, Mari; Sah, Ajay Kumar; Iwase, Miki; Murashige, Rina; Ishi-I, Jun-Ichi; Hasegawa, Masatoshi; Kachi-Terajima, Chihiro; Park, Ki-Min; Kuwahara, Shunsuke; Habata, Yoichi","C-HCl(-) hydrogen bonds in solution and in the solid-state: HgCl2 complexes with cyclen-based cryptands.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3800","3804","10.1039/c6dt03390c","","","0.71073","MoKα","","0.0952","0.0757","","","0.1835","0.2","","","","","","1.221","","","","has coordinates,has disorder","195117","2020-10-21","18:00:00",""
"7043853","13.743","0.004","6.963","0.002","13.777","0.004","90","","90","","90","","1318.4","0.7","100","2","100.15","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C6 H2 N14 O Pb -","- C6 H2 N14 O Pb -","- C24 H8 N56 O4 Pb4 -","4","0.5","","Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming","In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials","Dalton Trans.","2017","","","","","10.1039/C7DT02582C","","","0.71073","MoKα","","0.0665","0.0574","","","0.1367","0.1394","","","","","","1.171","","","","has coordinates","199421","2020-10-21","18:00:00",""
"7050170","15.7601","0.0002","8.9331","0.0001","22.1109","0.0003","90","","90","","90","","3112.92","0.07","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Mn N2 O5 -","- C17 H12 Mn N2 O5 -","- C136 H96 Mn8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0686","0.0393","","","0.0921","0.1114","","","","","","1.148","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050171","15.6685","0.0011","8.8628","0.0005","21.9418","0.0013","90","","90","","90","","3047","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Fe N2 O5 -","- C17 H12 Fe N2 O5 -","- C136 H96 Fe8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0664","0.0481","","","0.1115","0.1202","","","","","","1.074","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050172","15.9401","0.0008","9.0137","0.0004","22.0831","0.0011","90","","90","","90","","3172.9","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Cd N2 O5 -","- C17 H12 Cd N2 O5 -","- C136 H96 Cd8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0341","0.0272","","","0.0636","0.0668","","","","","","1.044","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7056370","16.2703","0.0006","10.6913","0.0004","16.8761","0.0005","90","","90","","90","","2935.61","0.18","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H22 Cl2 N12 O4 Pd2 -","- C24 H22 Cl2 N12 O4 Pd2 -","- C96 H88 Cl8 N48 O16 Pd8 -","4","0.5","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01604B","","","0.71073","MoKα","","0.0778","0.0432","","","0.079","0.0933","","","","","","1.019","","","","has coordinates","198130","2020-10-21","18:00:00",""
"7056407","36.202","0.007","15.391","0.003","29.655","0.006","90","","90","","90","","16523","6","273","2","273","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H31 Eu N O8 P -","- C42 H31 Eu N O8 P -","- C336 H248 Eu8 N8 O64 P8 -","8","1","","Katagiri, Kosuke; Matsuo, Naoya; Kawahata, Masatoshi; Masu, Hyuma; Yamaguchi, Kentaro","Aqua Coordination to Attenuate the Luminescence Properties of Europium(III)-Phosphine Oxide Porous Coordination Polymers","New J. Chem.","2017","","","","","10.1039/C7NJ00637C","","","0.8","Synchrotron","","0.0661","0.0515","","","0.1599","0.1798","","","","","","0.718","","","","has coordinates","198586","2020-10-21","18:00:00",""
"7056408","36.205","0.007","15.379","0.003","29.692","0.006","90","","90","","90","","16532","6","273","2","273","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C41.28 H29.31 Eu N0.76 O8 P -","- C41.274 H29.306 Eu N0.758 O8 P -","- C330.192 H234.448 Eu8 N6.064 O64 P8 -","8","1","","Katagiri, Kosuke; Matsuo, Naoya; Kawahata, Masatoshi; Masu, Hyuma; Yamaguchi, Kentaro","Aqua Coordination to Attenuate the Luminescence Properties of Europium(III)-Phosphine Oxide Porous Coordination Polymers","New J. Chem.","2017","","","","","10.1039/C7NJ00637C","","","0.8","Synchrotron","","0.0515","0.0428","","","0.1318","0.1378","","","","","","1.094","","","","has coordinates,has disorder","198586","2020-10-21","18:00:00",""
"7057434","19.2313","0.0004","9.3453","0.00016","21.9179","0.0005","90","","90","","90","","3939.13","0.14","295","2","295","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H38.5 Cl4 N6 O0.25 Pd2 -","- C36 H38.5 Cl4 N6 O0.25 Pd2 -","- C144 H154 Cl16 N24 O Pd8 -","4","0.5","","Lorkowski, Jan; Żak, Patrycja; Kubicki, Maciej; Pietraszuk, Cezary; Jędrzkiewicz, Dawid; Ejfler, Jolanta","Dimeric palladium 1,2,3-triazol-5-ylidene complexes ‒ synthesis, structure, reactivity and catalytic properties in Suzuki coupling","New Journal of Chemistry","2018","42","12","10134","","10.1039/C8NJ00981C","","x-ray","1.54184","CuKα","","0.0327","0.0291","","","0.0745","0.076","","","","","","1.108","","","","has coordinates","230559","2020-10-21","18:00:00",""
"7057517","28.982","0.006","10.862","0.002","19.143","0.004","90","","90","","90","","6026","2","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C64 H96 Cu2 N2 O6 -","- C64 H92 Cu2 N2 O6 -","- C256 H368 Cu8 N8 O24 -","4","0.5","","Rajput, Amit; Kumar, Akhilesh; Sengupta, Arunava; Tyagi, Priyanka; Arora, Himanshu","Copper (ii) dimers stabilized by bis(phenol) amine ligands: theoretical and experimental insights","New Journal of Chemistry","2018","42","15","12621","","10.1039/C8NJ02591F","","","0.71073","MoKα","","0.1112","0.0663","","","0.1661","0.1959","","","","","","1.034","","","","has coordinates,has disorder","230460","2020-10-21","18:00:00",""
"7059668","17.4408","0.0002","6.7914","0.0001","18.9369","0.0002","90","","90","","90","","2243.03","0.05","150","2","150","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C28 H20 N3 P -","- C28 H20 N3 P -","- C112 H80 N12 P4 -","4","0.5","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.","Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations","New Journal of Chemistry","2020","44","25","10220","10228","10.1039/D0NJ01975E","","","1.54178","CuKα","","0.04","0.0373","","","0.1011","0.1046","","","","","","1.001","","","","has coordinates","257792","2020-10-21","18:00:00",""
"7060305","28.094","0.004","4.5817","0.0004","11.7941","0.0008","90","","90","","90","","1518.1","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C14 H12 Ag N O9 -","- C14 H12 Ag N O9 -","- C56 H48 Ag4 N4 O36 -","4","0.5","","Hayati, Payam; Mehrabadi, Zohreh; Karimi, Mehdi; Janczak, Jan; Mohammadi, Khosro; Mahmoudi, Ghodrat; Dadi, Fatemeh; Fard, Mohammad Jaafar Soltanian; Hasanzadeh, Amir; Rostamnia, Sadegh","Photocatalytic activity of new nanostructures of an Ag(i) metal‒organic framework (Ag-MOF) for the efficient degradation of MCPA and 2,4-D herbicides under sunlight irradiation","New Journal of Chemistry","2021","45","7","3408","3417","10.1039/D0NJ02460K","","","0.71073","MoKα","","0.0377","0.031","","","0.084","0.0878","","","","","","1.002","","","","has coordinates","262704","2021-03-05","02:22:17",""
"7060864","15.3812","0.0004","7.969","0.0005","28.6691","0.0009","90","","90","","90","","3514.1","0.3","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C36 H40 N Ni S4 -","- C36 H40 N Ni S4 -","- C144 H160 N4 Ni4 S16 -","4","0.5","","Singh, Ayushi; Singh, Amita; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Singh, Ashish Kumar; Kumar, Abhinav; Muddassir, Mohd.","Ni(ii) dithiolate anion composites with two-dimensional materials for electrochemical oxygen evolution reactions (OERs)","New Journal of Chemistry","2021","45","35","16264","16270","10.1039/D1NJ02644E","","","0.71073","MoKα","","0.1266","0.0895","","","0.2391","0.2688","","","","","","1.042","","","","has coordinates,has disorder","269760","2021-10-06","16:04:18",""
"7062474","22.1519","0.0013","11.7439","0.0007","14.6586","0.0007","90","","90","","90","","3813.4","0.4","120","","120","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H30 Cl2 Fe N10 O8 -","- C42 H30 Cl2 Fe N10 O8 -","- C168 H120 Cl8 Fe4 N40 O32 -","4","0.5","","Zhao, Guo-Hui; Zhang, Shi-Hui; Yi, Cheng; Liu, Tao; Meng, Yin-Shan","Construction of spin crossover-fluorescence bifunctional iron(ii) complexes with modified bis(pyrazole)pyridine ligands","New Journal of Chemistry","2023","47","23","10967","10972","10.1039/D3NJ01431B","","","0.71073","MoKα","","0.0784","0.0508","","","0.1095","0.1235","","","","","","1.035","","","","has coordinates,has disorder","284949","2023-07-05","10:40:35",""
"7062475","22.6912","0.0018","11.9055","0.001","14.9444","0.0018","90","","90","","90","","4037.2","0.7","399.99","0.1","399.99","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C42 H30 Cl2 Fe N10 O8 -","- C42 H30 Cl2 Fe N10 O8 -","- C168 H120 Cl8 Fe4 N40 O32 -","4","0.5","","Zhao, Guo-Hui; Zhang, Shi-Hui; Yi, Cheng; Liu, Tao; Meng, Yin-Shan","Construction of spin crossover-fluorescence bifunctional iron(ii) complexes with modified bis(pyrazole)pyridine ligands","New Journal of Chemistry","2023","47","23","10967","10972","10.1039/D3NJ01431B","","x-ray","0.71073","MoKα","","0.213","0.103","","","0.1437","0.1805","","","","","","1.086","","","","has coordinates,has disorder","284949","2023-07-05","10:40:54",""
"7102094","21.9969","0.0015","7.3578","0.0005","20.3447","0.0014","90","","90","","90","","3292.8","0.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C27 H23 Cu4 N11 O4.5 -","- C27 H23 Cu4 N11 O4.5 -","- C108 H92 Cu16 N44 O18 -","4","0.5","","Ni, Wen-Xiu; Li, Mian; Zhou, Xiao-Ping; Li, Zhen; Huang, Xiao-Chun; Li, Dan","pH-Induced formation of metalloligand: increasing structure dimensionality by tuning number of ligand functional sites.","Chemical communications (Cambridge, England)","2007","","33","3479","3481","10.1039/b705603f","","","0.71073","MoKα","","0.0673","0.0475","","","0.1248","0.1353","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105991","23.7645","0.0006","7.2375","0.0002","14.5854","0.0004","90","","90","","90","","2508.62","0.12","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C10 H30 N26 O2 Zn -","- C10 H30 N26 O2 Zn -","- C40 H120 N104 O8 Zn4 -","4","0.5","","Jiao-Min Lin; Wen-Bin Chen; Xue-Mei Lin; An-Hui Lin; Chang-Yan Ma; Wen Dong; Chang-En Tian","Syntheses, structures and multi-photoluminescence images with confocal microscopy for three 5,5?-azotetrazolate(AZT) based Zn(II) and Ni(II) complexes","Chem.Commun.","2011","47","","2402","","10.1039/c0cc03720f","","","0.71073","MoKα","","0.0438","0.0296","","","0.0732","0.0812","","","","","","1.036","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7106989","23.476","0.005","9.5054","0.0019","27.629","0.006","90","","90","","90","","6165","2","180","2","180","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C48 H37 Ca3 N2 O15 P2 -","- C48 H37 Ca3 N2 O15 P2 -","- C192 H148 Ca12 N8 O60 P8 -","4","0.5","","Ana J. Nunez; Lindse N. Shear; Naween Dahal; Ilich A. Ibarra; Ji Woong Yoon; Young Kyu Hwang; Jong-San Chang; Simon M. Humphrey","A coordination polymer of (Ph3P)AuCl prepared by post-synthetic modification and its application in 1-hexene/n-hexane separation","Chem.Commun.","2011","47","","11855","","10.1039/c1cc14682c","","","0.71073","MoKα","","0.1178","0.081","","","0.2172","0.236","","","","","","1.059","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7109176","9.2029","","10.217","","14.8359","","90","","90","","90","","1394.96","","","","","","","","","","","","","6","P c c a","-P 2a 2ac","54","","Ag (S3 N2 O)2 As F6","","- Ag As F6 N4 O2 S6 -","- Ag As F6 N4 O2 S6 -","- Ag4 As4 F24 N16 O8 S24 -","4","0.5","","Schmidt, M.; Sheldrick, G.M.; Schimkowiak, J.; Thomas, M.; Roesky, H.W.; Noltemeyer, M.","X-Ray Crystal Structure of Bis(1-oxo-1-lambda 4,2,4-lambda 4,3,5-trithiadiazole)silver Hexafluoroarsenate(V); an Unusual Mode of Co-ordination","Journal of the Chemical Society. Chemical Communications (1972-)","1982","1982","","790","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110383","23.777","0.004","12.679","0.002","23.819","0.004","90","","90","","90","","7181","2","233","2","233","2","","","","","","","","6","P c c a","-P 2a 2ac","54","Sodium bis-tropp-iridate","","","- C82 H98 Ir Na O7 P2 -","- C82 H98 Ir Na O7 P2 -","- C328 H392 Ir4 Na4 O28 P8 -","4","0.5","","Boulmaâz, Souâd; Loss, Sandra; Schönberg, Hartmut; Deblon, Stephan; Wörle, Michael; Nesper, Reinhard; Grützmacher, Hansjörg; Mlakar, Marina","Synthesis of stable monomeric iridium(0) and iridium(−1) complexes","Chemical Communications","1998","","23","2623","","10.1039/a807804a","","","0.71073","MoKα","","0.1184","0.0467","","0.1314","0.0969","","","","1.038","1.097","1.097","","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7111372","16.794","0.003","13.764","0.003","20.044","0.004","90","","90","","90","","4633.2","1.6","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H24 F9 N6 O17 S3 Yb -","- C33 H24 F9 N6 O17 S3 Yb -","- C132 H96 F36 N24 O68 S12 Yb4 -","4","0.5","","Hill, Robert J.; Long, De-Liang; Turvey, Mark S.; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Wilson, Claire; Schr�der, Martin","Unprecedented bilayer topologies in 5- and 6-connected framework polymersElectronic supplementary information (ESI) available: synthesis, characterisation, additional views and crystallographic details. See http://www.rsc.org/suppdata/cc/b4/b407554d/","Chemical Communications","2004","","16","1792","1793","10.1039/b407554d","","x-ray","0.71073","MoKα","","0.14","0.0965","","","0.2217","0.2489","","","","","","1.223","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7132303","25.018","0.002","11.931","0.0011","27.747","0.002","90","","90","","90","","8282.2","1.2","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C93 H153 Cl2 Co N13 O27 -","- C62 H44 Cl2 Co N6 -","- C248 H176 Cl8 Co4 N24 -","4","0.5","","Ngue, Chin-May; Zhang, Yong-Yun; Leung, Man-kit","Exploring Redox Properties of a 3D Co-based Framework with Bis(triarylamine) Terphenyl as Redox-Active Linker","Chemical Communications","2023","","","","","10.1039/D3CC00067B","","","1.54178","CuKα","","0.187","0.1229","","","0.3024","0.3471","","","","","","1.262","","","","has coordinates,has disorder","287440","2023-11-06","22:55:24",""
"7132745","8.2526","0.0002","6.5427","0.00017","19.313","0.005","90","","90","","90","","1042.8","0.3","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","06_GUA04","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.034","0.0223","","","0.0662","0.0693","","","","","","1.093","","","","has coordinates","290812","2024-04-04","22:28:31",""
"7132746","8.1956","0.0002","6.534","0.00018","19.322","0.005","90","","90","","90","","1034.7","0.3","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","07_GUA04","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0438","0.0279","","","0.0811","0.0865","","","","","","1.103","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132747","8.4551","0.00013","6.584","0.00007","19.2134","0.0018","90","","90","","90","","1069.58","0.1","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","12_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0274","0.018","","","0.0514","0.0528","","","","","","1.076","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132748","7.8462","0.0014","6.5142","0.0011","19.58","0.02","90","","90","","90","","1000.8","1.1","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","32_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0714","0.0424","","","0.1007","0.1058","","","","","","0.827","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132749","8.3154","0.0002","6.549","0.00009","19.234","0.003","90","","90","","90","","1047.44","0.17","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","30_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0411","0.0273","","","0.0876","0.0948","","","","","","1.031","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132750","8.3583","0.00018","6.5585","0.00008","19.218","0.002","90","","90","","90","","1053.49","0.11","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","24_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.037","0.0207","","","0.0578","0.0623","","","","","","1.032","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132751","7.801","0.002","6.5107","0.0013","19.64","0.02","90","","90","","90","","997.5","1.1","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","34_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0635","0.042","","","0.0992","0.1038","","","","","","0.772","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132752","8.4958","0.0001","6.5946","0.0001","19.201","0.002","90","","90","","90","","1075.76","0.11","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","11_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0348","0.0197","","","0.0498","0.0591","","","","","","1.125","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132753","7.736","0.008","6.479","0.005","19.71","0.12","90","","90","","90","","988","6","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","36_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.1447","0.1159","","","0.2877","0.31","","","","","","1.113","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132754","8.4154","0.00018","6.5724","0.00008","19.21","0.002","90","","90","","90","","1062.49","0.11","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","22_GUA04","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0341","0.0197","","","0.054","0.0562","","","","","","1.032","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7153412","22.3","0.009","17.053","0.008","21.385","0.007","90","","90","","90","","8132","6","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C31 H35 B N2 O2 -","- C31 H35 B N2 O2 -","- C372 H420 B12 N24 O24 -","12","1.5","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.1893","0.0855","","","0.1428","0.174","","","","","","1.048","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7154307","26.7092","0.0014","9.0357","0.0004","17.2708","0.0009","90","","90","","90","","4168.1","0.4","100","","100","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C53 H46 B2 N2 O3 -","- C53 H46 B2 N2 O3 -","- C212 H184 B8 N8 O12 -","4","0.5","","Wesela-Bauman, Grzegorz; Urban, Mateusz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Tuning of the colour and chemical stability of model boranils: a strong effect of structural modifications.","Organic & biomolecular chemistry","2015","13","11","3268","3279","10.1039/c4ob02545h","","","0.71073","MoKα","","0.093","0.0685","","0.1695","0.149","0.1694","","","","","","0.9995","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7157588","32.6901","0.0005","12.36143","0.00017","7.35394","0.00011","90","","90","","90","","2971.7","0.08","294.04","0.1","294.04","0.1","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","x-ray","1.54184","CuKα","","0.0445","0.0396","","","0.1035","0.1081","","","","","","1.028","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7200284","16.779","0.002","12.1263","0.0013","21.766","0.003","90","","90","","90","","4428.7","0.9","295","2","295","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H48 Cd Cl2 N8 O14 -","- C36 H36 Cd Cl2 N8 O14 -","- C144 H144 Cd4 Cl8 N32 O56 -","4","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0763","0.0523","","","0.1381","0.1554","","","","","","1.035","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7201334","11.09","0.002","8.0686","0.0016","21.934","0.004","90","","90","","90","","1962.7","0.6","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Cu N4 O2 -","- C20 H18 Cl2 Cu N4 O2 -","- C80 H72 Cl8 Cu4 N16 O8 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0349","0.0316","","","0.0719","0.0733","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201758","29.3171","0.0015","6.7258","0.0002","10.7881","0.0004","90","","90","","90","","2127.21","0.15","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C12 H10 Cd Cl8 N2 O3 -","- C12 H10 Cd Cl7.99 N2 O3 -","- C48 H40 Cd4 Cl31.96 N8 O12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0585","0.0498","","","0.1119","0.1135","","","","","","1.356","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201813","13.908","0.002","8.409","0.001","13.042","0.002","90","","90","","90","","1525.3","0.4","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C4 H6 O6.5 Zn -","- C4 H4 O6.5 Zn -","- C32 H32 O52 Zn8 -","8","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0726","0.057","","","0.1241","0.1327","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202318","23.155","0.008","24.935","0.008","8.302","0.003","90","","90","","90","","4793","3","294","2","294","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Cd N18 -","- C46 H44 Cd N18 -","- C184 H176 Cd4 N72 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1242","0.0681","","","0.1419","0.1728","","","","","","1.054","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202321","23.791","0.004","24.236","0.004","8.1907","0.0013","90","","90","","90","","4722.7","1.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C44.34 H44 Cu N16.34 O2.5 -","- C44.336 H44 Cu N16.336 O2.496 -","- C177.344 H176 Cu4 N65.344 O9.984 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0975","0.0739","","","0.2236","0.2488","","","","","","1.146","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202327","23.637","0.007","25.067","0.007","8.195","0.002","90","","90","","90","","4856","2","294","2","294","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H44 Cd N16.17 O2.74 -","- C42 H44 Cd N16.172 O2.742 -","- C168 H176 Cd4 N64.688 O10.968 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1018","0.0755","","","0.2146","0.2425","","","","","","1.065","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202328","23.955","0.016","24.334","0.016","8.163","0.006","90","","90","","90","","4758","6","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H46 Cu N14 O7 -","- C42 H46 Cu N14 O7 -","- C168 H184 Cu4 N56 O28 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1117","0.0789","","","0.2333","0.2679","","","","","","1.038","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7203086","29.059","0.0016","10.0284","0.0005","18.1396","0.001","90","","90","","90","","5286.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 N16 Ni2 O19 -","- C42 H58 N16 Ni2 O19 -","- C168 H232 N64 Ni8 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.069","0.0546","","","0.1602","0.1689","","","","","","1.046","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203087","29.1836","0.0017","10.0604","0.0006","18.1377","0.001","90","","90","","90","","5325.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 Co2 N16 O19 -","- C42 H58 Co2 N16 O19 -","- C168 H232 Co8 N64 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0874","0.0643","","","0.1601","0.169","","","","","","1.036","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203457","25.028","0.003","4.4533","0.0005","11.8686","0.0014","90","","90","","90","","1322.8","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Ag N3 O3 -","- C13 H14 Ag N3 O3 -","- C52 H56 Ag4 N12 O12 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0901","0.0897","","0.1402","0.1401","","","","1.401","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203583","22.923","0.003","24.682","0.004","8.334","0.0012","90","","90","","90","","4715.3","1.2","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Co N18 -","- C46 H44 Co N18 -","- C184 H176 Co4 N72 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.1659","0.057","","","0.1152","0.1535","","","","","","1.005","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203782","16.113","0.003","4.2049","0.0009","28.34","0.006","90","","90","","90","","1920.1","0.7","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C10 H10 Au Br4 Cl I2 N2 -","- C10 H10 Au Br3.654 Cl1.346 I2 N2 -","- C40 H40 Au4 Br14.616 Cl5.384 I8 N8 -","4","0.5","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0915","0.0476","","","0.1134","0.1343","","","","","","1.034","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7207644","23.9938","0.0005","7.2021","0.0002","14.5155","0.0003","90","","90","","90","","2508.36","0.1","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C10 H30 Cu N26 O2 -","- C10 H30 Cu N26 O2 -","- C40 H120 Cu4 N104 O8 -","4","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.045","0.0317","","","0.0813","0.0908","","","","","","0.831","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7208388","54.371","0.011","8.86","0.0018","31.224","0.006","90","","90","","90","","15041","5","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","SU-73","","","- C46.56 H154.45 Ge35.26 N23.28 O88.56 -","- C46.56 H12.5 Ge35.26 N23.28 O88.56 -","- C186.24 H50 Ge141.04 N93.12 O354.24 -","4","0.5","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0784","0.0535","","","0.136","0.1464","","","","","","1.005","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7209562","25.161","0.003","11.253","0.002","18.172","0.003","90","","90","0.004","90","","5145.2","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 N6 O14 Zn3 -","- C46 H34 N6 O14 Zn3 -","- C184 H136 N24 O56 Zn12 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0951","0.045","","","0.1066","0.1151","","","","","","0.871","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7211208","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.05","0.035","","","","0.047","","","","","","2.569","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211479","13.5402","0.0008","11.3945","0.0007","16.0434","0.0009","90","","90","","90","","2475.2","0.3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C21 H17 Cu N4 O7 S -","- C21 H17 Cu N4 O7 S -","- C84 H68 Cu4 N16 O28 S4 -","4","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","0.71073","MoKα","","0.0777","0.0484","","","0.1289","0.1578","","","","","","0.816","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7212081","15.945","0.004","14.811","0.004","15.159","0.004","90","","90","","90","","3580","1.6","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C32 H26 Cu2 N8 O11 S2 -","- C32 H26 Cu2 N8 O11 S2 -","- C128 H104 Cu8 N32 O44 S8 -","4","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.1043","0.0446","","","0.0926","0.1005","","","","","","1.055","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7213611","19.407","0.007","13.628","0.005","16.307","0.006","90","","90","","90","","4313","3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 F6 N4 O4 Zn -","- C50 H32 F6 N4 O4 Zn -","- C200 H128 F24 N16 O16 Zn4 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0825","0.0637","","","0.1809","0.2015","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213612","19.414","0.004","13.605","0.002","16.216","0.003","90","","90","","90","","4283.1","1.3","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 Co F6 N4 O4 -","- C50 H32 Co F6 N4 O4 -","- C200 H128 Co4 F24 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.079","0.0454","","","0.1107","0.1246","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213774","24.293","0.005","10.896","0.002","29.975","0.006","90","","90","","90","","7934","3","296","2","296","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C52 H46 Cu4 Mo12 N10 O45 P V2 -","- C52 H40 Cu4 Mo12 N10 O45 P V2 -","- C208 H160 Cu16 Mo48 N40 O180 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1097","0.0672","","","0.1975","0.2277","","","","","","1.014","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213891","11.7133","0.0003","18.7995","0.0005","24.1755","0.0006","90","","90","","90","","5323.5","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H16 N3 O8 Zn -","- C20 H16 N3 O8 Zn -","- C160 H128 N24 O64 Zn8 -","8","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.0812","0.0629","","","0.1713","0.1834","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7214245","23.423","0.004","11.2363","0.0019","22.563","0.004","90","","90","","90","","5938.3","1.8","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C27 H29.5 N2 Ni O9.75 -","- C27 H28.5 N2 Ni O9.75 -","- C216 H228 N16 Ni8 O78 -","8","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1228","0.0589","","","0.1516","0.1673","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214982","20.3","0.005","13.551","0.003","20.469","0.005","90","","90","","90","","5631","2","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H64 Cl La N22 O32 -","- C36 H36 Cl La N22 O22 -","- C144 H144 Cl4 La4 N88 O88 -","4","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0515","0.0458","","","0.1419","0.147","","","","","","1.112","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215309","16.744","0.006","15.092","0.006","22.518","0.008","90","","90","","90","","5690","4","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H48 Co3 N6 O14 S3 -","- C50 H48 Co3 N6 O14 S3 -","- C200 H192 Co12 N24 O56 S12 -","4","0.5","","Zou, Hua-Hong; He, Yan-Ping; Gui, Liu-Cheng; Liang, Fu-Pei","A new 8-connected porous coordination polymer: crystal structure and selective adsorption properties","CrystEngComm","2011","13","10","3325","","10.1039/c1ce05103b","","","0.71073","MoKα","","0.1027","0.0825","","","0.2235","0.2415","","","","","","1.121","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215375","18.6361","0.0005","13.5949","0.0009","12.7863","0.0006","90","","90","","90","","3239.5","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C34 H30 N6 O8 Zn -","- C34 H30 N6 O8 Zn -","- C136 H120 N24 O32 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1512","0.048","","","0.0802","0.0906","","","","","","0.853","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215400","32.782","0.002","16.6144","0.0013","17.8662","0.0013","90","","90","","90","","9730.9","1.2","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C95 H91 Cd4 N9 O25 -","- C95 H91 Cd4 N9 O25 -","- C380 H364 Cd16 N36 O100 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Bai, Jing; Fang, Min; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","An unprecedented (3,7)-connected microporous solvatochromic coordination polymer built on a semirigid tripod pyridinium-4-olate ligand","CrystEngComm","2011","13","20","6010","","10.1039/c1ce05888f","","","0.71073","MoKα","","0.1005","0.0606","","","0.1374","0.1462","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215469","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.6889","","","0.044","0.029","","","","0.038","","","","","","2.067","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7217320","14.8105","0.0006","10.1034","0.0006","6.8817","0.0003","90","","90","","90","","1029.75","0.09","293","","293","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C24 H32 Cu8 I8 N8 -","4","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0307","","","","0.0549","","","","","","1.052","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217804","16.9674","0.0017","14.2074","0.0014","8.7538","0.0008","90","","90","","90","","2110.2","0.4","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H28 Cd N4 O9 -","- C13 H28 Cd N4 O9 -","- C52 H112 Cd4 N16 O36 -","4","0.5","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0428","0.0268","","","0.0617","0.068","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218234","23.313","0.005","11.45","0.002","24.062","0.005","90","","90","","90","","6423","2","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C44 H20 F36 N4 O12 Yb2 -","- C44 H20 F36 N4 O12 Yb2 -","- C176 H80 F144 N16 O48 Yb8 -","4","0.5","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0771","0.0541","","","0.1405","0.1546","","","","","","1.079","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7219733","22.2297","0.0008","11.6884","0.0005","15.5606","0.0006","90","","90","","90","","4043.1","0.3","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","Hamada_K3_ppt3_22_06_14","","","- C50 H40 Cl2 N4 O2 -","- C50 H40 Cl2 N4 O2 -","- C200 H160 Cl8 N16 O8 -","4","0.5","","Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM","Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition","RSC Adv.","2015","","","","","10.1039/C5RA02972D","","","1.54178","","","0.0719","0.0498","","","0.1273","0.1463","","","","","","1.035","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7228205","27.9483","0.0003","21.5782","0.0002","36.4721","0.0004","90","","90","","90","","21995.4","0.4","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C113 H104 Cu3 N5 O5 P6 -","- C113 H104 Cu3 N5 O5 P6 -","- C904 H832 Cu24 N40 O40 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","1.54178","CuKα","","0.0551","0.0464","","","0.1171","0.1247","","","","","","1.036","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7230704","18.0444","0.0006","11.4284","0.0005","17.241","0.0006","90","","90","","90","","3555.4","0.2","173.15","","173.15","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C31 H36 Br2 Cl2 N8 O4 -","- C31 H36 Br2 Cl2 N8 O4 -","- C124 H144 Br8 Cl8 N32 O16 -","4","0.5","","Naseer, Muhammad Moazzam; Bauzá, Antonio; Alnasr, Hazem; Jurkschat, Klaus; Frontera, Antonio","Lone pair‒π vs. σ-hole‒π interactions in bromine head-containing oxacalix[2]arene[2]triazines","CrystEngComm","2018","20","23","3251","","10.1039/C8CE00666K","","x-ray","0.71073","MoKα","","0.064","0.0425","","","0.1172","0.1283","","","","","","1.081","","","","has coordinates","229107","2020-10-21","18:00:00",""
"7234650","15.751","0.008","14.741","0.007","8.621","0.004","90","","90","","90","","2001.7","1.7","296","2","296","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C96 H76 N4 O16 -","4","0.5","","Lin Kong; Yun Liu; Hui Wang; Xiao-he Tian; Qi-yu Chen; Yu-peng Tian; Sheng-li Li; Zhao-ming Xue; Jia-xiang Yang","Effect of solvent, pH and metal ions on the self-assembly process and optical properties of an A-pi-D-pi-A type triphenylamine carboxylic acid derivative","Journal of Materials Chemistry C","2016","4","","2990","3001","10.1039/C5TC03351A","","","0.71073","MoKα","","0.0585","0.0398","","","0.0981","0.1267","","","","","","1.09","","","","has coordinates","219382","2020-10-21","18:00:00",""
"7234944","19.2754","0.0019","18.5717","0.0018","19.6406","0.0019","90","","90","","90","","7030.9","1.2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C188 H236 B8 Cu24 N76 O4 S24 W8 -","4","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.04","0.0286","","","0.0826","0.0946","","","","","","1.135","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234945","19.161","0.003","22.823","0.004","19.486","0.003","90","","90","","90","","8521","2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C28 H35 B Cu3 N10 O S3 W -","- C28 H35 B Cu3 N10 O S3 W -","- C224 H280 B8 Cu24 N80 O8 S24 W8 -","8","1","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.1388","0.0877","","","0.2194","0.2557","","","","","","1.056","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7237644","9.399","0.004","3.9543","0.0019","10.362","0.005","90","","90","","90","","385.1","0.3","150","","150","","","","","","","","","2","P c c a","-P 2a 2ac","54","","","","- H4 N6 -","- H4 N6 -","- H16 N24 -","4","0.5","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0587","0.0497","","","0.1243","0.1354","","","","","","1.072","","","","has coordinates","238465","2020-10-21","18:00:00",""
"7238070","28.6376","0.0015","10.5812","0.0004","22.7685","0.001","90","","90","","90","","6899.3","0.5","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H29 Cd N13 O3 -","- C30 H29 Cd N13 O3 -","- C240 H232 Cd8 N104 O24 -","8","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0793","0.0517","","","0.1339","0.1458","","","","","","1.047","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7703261","44.7754","0.0014","11.8417","0.0004","16.7861","0.0005","90","","90","","90","","8900.3","0.5","100","","100","","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C55 H50 Cl F P2 Rh Si2 -","- C55 H50 Cl F P2 Rh Si2 -","- C440 H400 Cl8 F8 P16 Rh8 Si16 -","8","1","","Holsten, Sebastian; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Proximity enforced oxidative addition of a strong unpolar σ-Si-Si bond at rhodium(i).","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1731","1735","10.1039/d0dt00017e","","","0.71073","MoKα","","0.0593","0.0504","","","0.1207","0.1272","","","","","","1.35","","","","has coordinates","248955","2020-10-21","18:00:00",""
"7704734","17.9728","0.0015","11.5328","0.0009","20.5039","0.0017","90","","90","","90","","4250","0.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C41 H8 F34 N4 Zn -","- C41 H8 F34 N4 Zn -","- C164 H32 F136 N16 Zn4 -","4","0.5","","Huse, Kevin; Weinert, Hanns; Wölper, Christoph; Schulz, Stephan","Electronic effect of a perfluorinated β-diketiminate ligand on the bonding nature of copper carbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","28","9773","9780","10.1039/d0dt01943g","","","0.71073","MoKα","","0.0915","0.0397","","","0.0737","0.0914","","","","","","1.028","","","","has coordinates,has disorder","254965","2020-10-21","18:00:00",""
"7707098","8.3846","0.0003","6.5898","0.0002","19.4181","0.0005","90","","90","","90","","1072.91","0.06","99.98","0.11","99.98","0.11","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C5 H8 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","0.5","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","1.54184","CuKα","","0.0938","0.0828","","","0.1975","0.2147","","","","","","1.046","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707100","8.5549","0.0007","6.6144","0.0004","19.1726","0.0007","90","","90","","90","","1084.89","0.12","460","0.2","460","0.2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C5 H8 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","0.5","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","1.54184","CuKα","","0.1023","0.0806","","","0.1864","0.2097","","","","","","1.106","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707101","8.4795","0.0004","6.6014","0.0002","19.2633","0.0005","90","","90","","90","","1078.29","0.07","309.99","0.1","309.99","0.1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C5 H8 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","0.5","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","1.54184","CuKα","","0.097","0.0829","","","0.1959","0.2222","","","","","","1.023","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707184","11.1222","0.0008","7.8437","0.0008","21.7183","0.0017","90","","90","","90","","1894.7","0.3","173","","173","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7843","7853","10.1039/d1dt01069g","","x-ray","0.71073","MoKα","","0.0665","0.0554","","","0.1202","0.124","","","","","","1.237","","","","has coordinates","267163","2021-07-05","17:34:49",""
"7707185","10.7848","0.0018","7.5554","0.0018","21.527","0.004","90","","90","","90","","1754.1","0.6","250","","250","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7843","7853","10.1039/d1dt01069g","","x-ray","0.71073","MoKα","","0.1678","0.0891","","","0.2017","0.2397","","","","","","1.012","","","","has coordinates","267163","2021-07-05","17:34:49",""
"7707479","14.1969","0.0006","15.7861","0.0007","21.019","0.0009","90","","90","","90","","4710.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P c c a","-P 2a 2ac","54","","Poly{[(mu3-1,4-benzenedicarboxylato-k2O,O':k2O'',O''':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)cadmium(II)] dimethylformamide}","","- C23 H19 Cd N7 O5 -","- C20 H12 Cd N6 O4 -","- C160 H96 Cd8 N48 O32 -","8","1","","Cepeda, Javier; Pérez-Yáñez, Sonia; García, Jose Ángel; Rojas, Sara; Rodríguez-Diéguez, Antonio","Towards correlating dimensionality and topology in luminescent MOFs based on terephthalato and bispyridyl-like ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9269","9282","10.1039/d1dt01204e","","","0.71073","MoKα","","0.1196","0.1075","","","0.2302","0.237","","","","","","1.285","","","","has coordinates","268758","2021-09-06","11:10:17",""
"7711123","13.644","0.0007","10.0761","0.0005","16.3858","0.0008","90","","90","","90","","2252.69","0.19","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","3","","- C8 H7 Cl3 Gd N3 -","- C8 H7 Cl3 Gd N3 -","- C64 H56 Cl24 Gd8 N24 -","8","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.1004","0.0628","","","0.1484","0.1816","","","","","","1.079","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711124","13.6572","0.0008","10.0885","0.0006","16.3902","0.001","90","","90","","90","","2258.3","0.2","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","2","","- C8 H7 Cl3 Eu N3 -","- C8 H7 Cl3 Eu N3 -","- C64 H56 Cl24 Eu8 N24 -","8","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0734","0.0411","","","0.0819","0.0954","","","","","","1.044","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7713357","14.5103","0.001","14.0161","0.0009","15.424","0.001","90","","90","","90","","3136.9","0.4","120","","120","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C15 H20 Cu N O6 -","- C15 H20 Cu N O6 -","- C120 H160 Cu8 N8 O48 -","8","1","","Li, Xianzhen; Cao, Chen; Fan, Ziwen; Liu, Jianfa; Pham, Tony; Forrest, Katherine A.; Niu, Zheng","An aliphatic MOF with a molecular sieving effect for efficient C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01419c","","","1.34138","GaKα","","0.098","0.0895","","","0.2169","0.2204","","","","","","1.119","","","","has coordinates","284763","2023-07-03","22:51:46",""
"7713561","27.7408","0.0008","16.6115","0.0004","24.3585","0.0007","90","","90","","90","","11224.8","0.5","180","0.1","180","0.1","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C55 H74 Cl2 N4 O5 Ti2 -","- C55 H74 Cl2 N4 O5 Ti2 -","- C440 H592 Cl16 N32 O40 Ti16 -","8","1","","Xu, Hanhua; Lv, Ze-Jie; Wei, Junnian; Xi, Zhenfeng","N-Aryloxide-Amidinate Group 4 Metal Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01767B","","x-ray","0.71073","MoKα","","0.0657","0.052","","","0.1479","0.156","","","","","","1.03","","","","has coordinates,has disorder","285338","2023-07-25","22:52:53",""
"8107057","14.91","0.0005","17.2508","0.0006","16.0857","0.0006","90","","90","","90","","4137.4","0.3","173","2","173","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C42 H46 N2 O4 -","- C42 H46 N2 O4 -","- C168 H184 N8 O16 -","4","0.5","","Elaieb, Fethi; Sémeril, David; Matt, Dominique; Hedhli, Ahmed","Crystal structure of 5,17-bis-cyano-25,26,27,28-tetrapropyloxy-calix[4]arene, C42H46N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","943","945","10.1515/ncrs-2016-0015","","","0.71073","MoKα","","0.0934","0.071","","","0.2152","0.2308","","","","","","1.071","","","","has coordinates,has disorder","282473","2023-04-06","08:36:17",""
"8107277","13.2154","0.0004","16.9075","0.0006","13.9347","0.0005","90","","90","","90","","3113.56","0.18","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Fe N4 O10 -","- C13 H14 Fe N4 O10 -","- C104 H112 Fe8 N32 O80 -","8","1","","Zhang, Ya-Ping; Pu, Lu-Yu; Sun, De-Mei","Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1005","1007","10.1515/ncrs-2022-0298","","","0.71073","MoKα","","0.0528","0.0362","","","0.0871","0.0971","","","","","","1.018","","","","has coordinates,has disorder","284094","2023-05-31","09:24:40",""
"9000202","14.27","","5.16","","19.45","","90","","90","","90","","1432.17","","","","","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","Nordite-(La)","- La Na3 O17 Si6 Sr Zn -","- La Na3 O17 Si6 Sr Zn -","- La4 Na12 O68 Si24 Sr4 Zn4 -","4","0.5","","Bakakin, V. V.; Belov, N. V.; Borisov, S. V.; Solovyeva, L. P.","The crystal structure of nordite and its relationship to melilite and datolite-gadolinite","American Mineralogist","1970","55","","1167","1181","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9007819","6.0754","","6.6796","","6.1226","","90","","90","","90","","248.463","","","","","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- Ag Cl O2 -","- Ag Cl O2 -","- Ag4 Cl4 O8 -","4","0.5","","Okuda, M.; Ishihara, M.; Yamanaka, M.; Ohba, S.; Saito, Y.","Structures of lead chlorite, magnesium chlorite hexahydrate and silver chlorite Sample: Compound (III)","Acta Crystallographica, Section C","1990","46","","1755","1759","10.1107/S010827019000066X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9010331","14.972","","14.137","","14.594","","90","","90","","90","","3088.95","","","","","","","","","","","","Khibiny massif, Kola Peninsula, Russia","8","P c c a","-P 2a 2ac","54","","","Yakovenchukite-(Y)","- Ca1.12 H8 K2.76 Na O34 Si12 Y1.66 Yb0.34 -","- Ca1.12 H8 K2.76 Na O34 Si12 Y1.66 Yb0.34 -","- Ca4.48 H32 K11.04 Na4 O136 Si48 Y6.64 Yb1.36 -","4","0.5","","Krivovichev, S. V.; Pakhomovsky, Y. A.; Ivanyuk, G. Y.; Mikhailova, J. A.; Men'shikov, Y. P.; Armbruster, T.; Selivanova, E. A.; Meisser, N.","Yakovenchukite-(Y), K3NaCaY2(Si12O30)(H2O)4, a new mineral from the Khibiny massif, Kola Peninsula, Russia: a novel type of octahedral-tetrahedral open-framework structure","American Mineralogist","2007","92","","1525","1530","10.2138/am.2007.2488","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9012636","14.44","","5.187","","19.82","","90","","90","","90","","1484.52","","","","","","","","","","","","Lovozero Massif","13","P c c a","-P 2a 2ac","54","","","Manganonordite-(Ce)","- Ba0.019 Ca0.051 Ce0.52 Fe0.23 La0.43 Mg0.1 Mn0.42 Na2.949 Nd0.05 O17 Si6 Sr0.981 Zn0.24 -","- Ba0.019 Ca0.051 Ce0.52 Fe0.23 La0.43 Mg0.1 Mn0.42 Na2.949 Nd0.05 O17 Si6 Sr0.981 Zn0.24 -","- Ba0.076 Ca0.204 Ce2.08 Fe0.92 La1.72 Mg0.4 Mn1.68 Na11.796 Nd0.2 O68 Si24 Sr3.924 Zn0.96 -","4","0.5","","Pushcharovsky, D. Y.; Pekov, I. V.; Pluth, J. J.; Smith, J.; Ferraris, G.; Vinogradova, S. A.; Arakcheeva, A. V.; Soboleva, S. V.; Semenov, E. I.","Raite, manganonordite-(Ce), and ferronordite-(Ce) from the Lovozero massif: Crystal structures and mineralogical geochemistry","Crystallography Reports","1999","44","","565","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012637","14.46","","5.194","","19.874","","90","","90","","90","","1492.64","","","","","","","","","","","","Lovozero Massif","14","P c c a","-P 2a 2ac","54","","","Ferronordite-(Ce)","- Ba0.02 Ca0.099 Ce0.51 Fe0.42 La0.42 Mg0.1 Mn0.26 Na2.901 Nd0.04 O17 Pr0.03 Si6 Sr0.98 Zn0.22 -","- Ba0.02 Ca0.099 Ce0.51 Fe0.42 La0.42 Mg0.1 Mn0.26 Na2.901 Nd0.04 O17 Pr0.03 Si6 Sr0.98 Zn0.22 -","- Ba0.08 Ca0.396 Ce2.04 Fe1.68 La1.68 Mg0.4 Mn1.04 Na11.604 Nd0.16 O68 Pr0.12 Si24 Sr3.92 Zn0.88 -","4","0.5","","Pushcharovsky, D. Y.; Pekov, I. V.; Pluth, J. J.; Smith, J.; Ferraris, G.; Vinogradova, S. A.; Arakcheeva, A. V.; Soboleva, S. V.; Semenov, E. I.","Raite, manganonordite-(Ce), and ferronordite-(Ce) from the Lovozero massif: Crystal structures and mineralogical geochemistry","Crystallography Reports","1999","44","","565","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""