# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:19:24+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R 3 :H' 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
"1001370","5.172","0.002","5.172","0.002","13.847","0.006","90","","90","","120","","320.8","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Dilithium zirconium tellurium oxide","","- Li2 O6 Te Zr -","- Li2 O6 Te Zr -","- Li6 O18 Te3 Zr3 -","3","0.333333","","Choisnet, J; Rulmont, A; Tarte, P","Les tellurates mixtes Li~2~ Zr Te O~6~ et Li~2~ Hf Te O~6~: un nouveau phenomene d'ordre dans la famille corindon","Journal of Solid State Chemistry","1988","75","","124","135","10.1016/0022-4596(88)90309-X","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001502","5.172","0.002","5.172","0.002","13.847","0.006","90","","90","","120","","320.8","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Dilithium zirconium tellurate","","- Li2 O6 Te Zr -","- Li2 O6 Te Zr -","- Li6 O18 Te3 Zr3 -","3","0.333333","","Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P","Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)","Materials Chemistry and Physics","1992","30","","245","252","10.1016/0254-0584(92)90232-W","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001503","5.1732","0.0025","5.1732","0.0005","13.8508","0.0007","90","","90","","120","","321","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Dilithium zirconium tellurate","","- Li2 O6 Te Zr -","- Li2 O6 Te Zr -","- Li6 O18 Te3 Zr3 -","3","0.333333","","Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P","Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)","Materials Chemistry and Physics","1992","30","","245","252","10.1016/0254-0584(92)90232-W","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001504","5.167","0.002","5.167","0.002","13.795","0.006","90","","90","","120","","319","","","","","","","","","","","","","5","R 3 :H","R 3","146","","Lithium zirconium niobium tellurium(VI) oxide (1.75/.75/.25/1/6)","","- Li1.75 Nb0.25 O6 Te Zr0.75 -","- Li1.75 Nb0.25 O6 Te Zr0.75 -","- Li5.25 Nb0.75 O18 Te3 Zr2.25 -","3","0.333333","","Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P","Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)","Materials Chemistry and Physics","1992","30","","245","252","10.1016/0254-0584(92)90232-W","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005011","2.8674","0.0002","2.8674","0.0002","15.801","0.002","90","","90","","120","","112.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Lithium molybdenum(V) dinitride","","- Li Mo N2 -","- Li Mo N2 -","- Li3 Mo3 N6 -","3","0.333333","","Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M","LiMoN~2~: the first metallic layered nitride","Chemistry of Materials (1,1989-","1992","4","4","928","937","10.1021/cm00022a033","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007246","6.7855","0.0005","6.7855","0.0005","16.30099","0.002","90","","90","","120","","650","","","","","","","","","","","","","2","R 3 :H","R 3","146","","Iron arsenide (12/5)","","- As5 Fe12 -","- As5 Fe12 -","- As15 Fe36 -","3","0.333333","","Maaref, S; Maddar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P","Etude de la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5","Materials Research Bulletin","1983","18","","473","480","10.1016/0025-5408(83)90139-3","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007265","6.8234","0.0005","6.8234","","16.364","0.002","90","","90","","120","","659.8","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Iron ruthenium arsenide (10/2/5)","","- As5 Fe10.77 Ru1.23 -","- As5 Fe10.77 Ru1.23 -","- As15 Fe32.31 Ru3.69 -","3","0.333333","","Maaref, S; Madar, R; Chaudouet, P; Fruchart, R; Senateur, J P; Averbuch-Pouchot, M T; Bacmann, M; Durif, A; Wolfers, P","Etude des la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5","Materials Research Bulletin","1983","18","","473","480","10.1016/0025-5408(83)90139-3","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010457","12.2","0.07","12.2","0.07","18.17","0.06","90","","90","","120","","2342.1","","","","","","","","","","","","","2","R 3 :H","R 3","146","","Thallium sulfide","","- S Tl2 -","","","27","3","","Ketelaar, J A A; Gorter, E W","Die Kristallstruktur des Thallosulfid ( Tl~2~ S )","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1939","101","","367","375","","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1100103","8.83","0.001","8.83","0.001","9.075","0.001","90","","90","","120","","612.8","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Magnesium sulfate(IV) hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H36 Mg3 O27 S3 -","3","0.333333","","Flack, H","Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","656","658","10.1107/S0567740873003110","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1100179","23.056","0.001","23.056","0.001","7.325","0.001","90","","90","","120","","3372.15","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylhexan-2-ol","","- C18 H22 O -","- C18 H22 O -","- C162 H198 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100180","22.864","0.001","22.864","0.001","7.229","0.001","90","","90","","120","","3272.75","","","","223","","","","","","","","","3","R 3 :H","R 3","146","","3,4-Diphenylpentan-2-ol","","- C17 H20 O -","- C17 H20 O -","- C153 H180 O9 -","9","1","","Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul","Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules","Journal of the American Chemical Society","2000","122","41","10218","10219","10.1021/ja001283y","","","","","","","4.89","","","4.89","","","","","","","","","","","has coordinates","176899","2020-10-21","18:00:00",""
"1100187","28.224","0.001","28.224","0.001","15.262","0.001","90","","90","","120","","10528.8","","","","293","","","","","","","","","5","R 3 :H","R 3","146","","p-Menth-3-yl 1,3,5-trimethylcyclohexane-1,3-dicarboximide-5-carboxylate dichloromethane solvate","","- C22.17 H35.34 Cl0.34 N O4 -","- C22.1667 H35 Cl N O4 -","- C399 H630 Cl18 N18 O72 -","18","2","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","5.16","","","5.16","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00",""
"1502521","19.502","0.009","19.502","0.009","13.648","0.013","90","","90","","120","","4495","5","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C189 H216 N18 O36 -","9","1","","Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin","Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.","Organic letters","2011","13","20","5596","5599","10.1021/ol2023196","","","0.71073","MoKα","","0.1515","0.0634","","","0.1149","0.1407","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503706","19.2969","0.0004","19.2969","0.0004","19.1134","0.0007","90","","90","","120","","6163.7","0.3","93.1","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C27.667 H35.667 N O10.667 -","- C27.65 H29 N O10.65 -","- C248.85 H261 N9 O95.85 -","9","1","","Ismail, Intan Safinar; Nagakura, Yuta; Hirasawa, Yusuke; Hosoya, Takahiro; Lazim, Mohd Izwan Mohd; Lajis, Nordin Hj; Shiro, Motoo; Morita, Hiroshi","Chrotacumines A-D, chromone alkaloids from Dysoxylum acutangulum.","Journal of natural products","2009","72","10","1879","1883","10.1021/np9003849","","","1.54187","CuKα","","","0.0495","","","","0.1358","","","","","","1.039","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504071","21.619","0.003","21.619","0.003","12.828","0.003","90","","90","","120","","5192.3","1.6","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H22 Br N3 O5 -","- C17 H22 Br N3 O5 -","- C153 H198 Br9 N27 O45 -","9","1","","Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun","Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles.","Organic letters","2009","11","17","3874","3877","10.1021/ol901405r","","","0.71073","MoKα","","0.0518","0.0473","","","0.1265","0.131","","","","","","1.081","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505488","16.3003","0.0004","16.3003","0.0004","29.5212","0.001","90","","90","","120","","6792.9","0.3","200","","200","","","","","","","","local","4","R 3 :H","R 3","146","","","","- C16 H20 N O5.5 -","- C16 H16.5 N O5.5 -","- C288 H297 N18 O99 -","18","2","","Banwell, Martin G.; Kokas, Okanya J.; Willis, Anthony C.","Chemoenzymatic approaches to the montanine alkaloids: a total synthesis of (+)-brunsvigine.","Organic letters","2007","9","18","3503","3506","10.1021/ol071344y","","","0.71073","MoKα","","0.0644","0.0535","","0.0478","0.0457","0.0457","","","","","","1.1064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506242","27.991","0.007","27.991","0.007","20.057","0.007","90","","90","","120","","13609","7","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H56 Cl2 N4 O12 -","- C42 H56 Cl2 N4 O12 -","- C378 H504 Cl18 N36 O108 -","9","1","","Hong, Wen-Xu; Chen, Ling-Jun; Zhong, Chun-Long; Yao, Zhu-Jun","Bidirectional synthesis of the central amino acid of chloptosin.","Organic letters","2006","8","21","4919","4922","10.1021/ol0620139","","","0.71073","MoKα","","0.2038","0.0963","","","0.2328","0.2847","","","","","","0.859","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507134","7.6291","0.0008","7.6291","0.0008","10.977","0.002","90","","90","","120","","553.3","0.13","100","","100","","","","","","","","","4","R 3 :H","R 3","146","","","","- B3 H12 K Zn -","- B3 H12 K Zn -","- B9 H36 K3 Zn3 -","3","0.333333","","Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R.","Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions","The Journal of Physical Chemistry C","2012","116","1","1563","","10.1021/jp209848r","powder diffraction","","0.72846","synchrotron","","","","","","","","","","","","","","","","","has coordinates","191890","2020-10-21","18:00:00",""
"1507949","28.71","0.006","28.71","0.006","10.909","0.002","90","","90","","120","","7787","3","293","2","293","2","","","","","","","","8","R 3 :H","R 3","146","Gandelman-91(Yuri)","","","- C24 H52.33 Br Cl2 N5 O2.33 P2 Ru -","- C24 H52.33 Br Cl2 N5 O2.33333 P2 Ru -","- C216 H470.97 Br9 Cl18 N45 O21 P18 Ru9 -","9","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0871","0.0511","","","0.0984","0.1103","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508049","17.9312","0.0003","17.9312","0.0003","13.1252","0.0004","90","","90","","120","","3654.73","0.14","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","5","","","- C48 H78 Fe N2 Na O3 P3 Si -","- C48 H78 Fe N2 Na O3 P3 Si -","- C144 H234 Fe3 N6 Na3 O9 P9 Si3 -","3","0.333333","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0245","0.024","","","0.0598","0.06","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508893","16.382","0.005","16.382","0.005","39.89","0.02","90","","90","","120","","9271","6","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C98 H156 F24 N22 Na4 O27 P4 -","- C98 H155.97 F24 N22 Na4 O27 P4 -","- C294 H467.91 F72 N66 Na12 O81 P12 -","3","0.333333","","Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco","Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.","Organic letters","2013","15","3","598","601","10.1021/ol3034143","","","0.3006","","","0.1481","0.1436","","","0.4399","0.485","","","","","","2.29","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510571","5.092","","5.092","","14.333","","90","","90","","120","","321.843","","","","","","","","","","","","","2","R 3 :H","R 3","146","","","","- Au5 Sn -","- Au5 Sn -","- Au15 Sn3 -","3","0.333333","","Yamaguchi, S.; Hirabayashi, M.; Osada, K.","An ordered stucture of Au5 Sn","Transactions of the Japan Institute of Metals","1974","15","","256","260","10.2320/matertrans1960.15.256","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1512780","22.202","0.002","22.202","0.002","4.3536","0.0009","90","","90","","120","","1858.5","0.5","98","2","98","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C18 H12 Co3 N15 O4 P -","- C18 H12 Co3 N15 O4 P -","- C54 H36 Co9 N45 O12 P3 -","3","0.333333","","Kari Darling; Jon Zubieta","Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system","Inorganica Chimica Acta","2013","394","","512","518","10.1016/j.ica.2012.08.030","","","0.71073","MoKα","","0.0639","0.0542","","","0.1444","0.1477","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1521214","9.3848","","9.3848","","26.5461","","90","","90","","120","","2024.8","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Zr Cr2 D3.804","","- Cr2 D3.804 Zr -","- Cr2 D3.8035 Zr -","- Cr72 D136.926 Zr36 -","36","4","","Irodova, A.V.; Suard, E.","Order-disorder phase transition in the deuterated hexagonal (C14-type) Laves phase Zr Cr2 D3.8","Journal of Alloys Compd.","2000","299","","32","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521824","14.182","","14.182","","30.37","","90","","90","","120","","5289.94","","","","","","","","","","","","","16","R 3 :H","R 3","146","","Na16 K0.1 Ca2.10 Mn3.6 Sr0.45 Fe0.15 Ce1.15 Zr3.30 Hf0.05 Ti0.10 Nb0.40 Si25.6 O74.54 (O H)0.82 F0.28 Cl0.17 (H2 O)1.75","","- Ca2.1 Ce1.15 Cl0.17 F0.28 Fe0.15 H4.32 Hf0.05 K0.1 Mn3.6 Na16 Nb0.4 O77.11 Si25.6 Sr0.45 Ti0.1 Zr3.3 -","- Ca2.1 Ce1.149 Cl0.17 F0.28 Fe0.15 Hf0.051 K0.099 Mn3.6 Na16.002 Nb0.4 O77.11 Si25.6 Sr0.45 Ti0.099 Zr3.3 -","- Ca6.3 Ce3.447 Cl0.51 F0.84 Fe0.45 Hf0.153 K0.297 Mn10.8 Na48.006 Nb1.2 O231.33 Si76.8 Sr1.35 Ti0.297 Zr9.9 -","3","0.333333","","Rastsvetaeva, R.K.; Khomyakov, A.P.; Nekrasov, Yu.V.","Crystal structure of a novel analog of eudialyte with R3 symmetry","Kristallografiya","1999","44","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522207","5.00795","","5.00795","","14.3422","","90","","90","","120","","311.506","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Li2 (Ge Te O6)","","- Ge Li2 O6 Te -","- Ge Li2 O6 Te -","- Ge3 Li6 O18 Te3 -","3","0.333333","","Woodward, P.M.; Du, L.-S.; Sleight, A.W.; Grey, C.P.","Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6","Journal of Solid State Chemistry","1999","147","","99","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522962","11.531","","11.531","","5.249","","90","","90","","120","","604.423","","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Ga4 Pd7 Zn3 -","- Ga4 Pd7 Zn3 -","- Ga12 Pd21 Zn9 -","3","0.333333","","Subrahmanyam, A.V.; Schubert, K.","Ueber die Mischung P Zn - Pd Ga","Journal of the Less-Common Metals","1973","32","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525784","15.741","","15.741","","24.382","","90","","90","","120","","5231.96","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Rb U Sb0.33 Te6","","- Rb Sb0.33 Te6 U -","- Rb Sb0.331667 Te6 U -","- Rb18 Sb5.97 Te108 U18 -","18","2","","Choi, K.-S.; Kanatzidis, M.G.","Unique periodic modulations in the infinite (Tex)(n-) chains of Rb U Sb0.33 Te6","Journal of Solid State Chemistry","2001","161","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525845","7.479","","7.479","","16.637","","90","","90","","120","","805.921","","","","","","","","","","","","","5","R 3 :H","R 3","146","","(Cs2 (S O4)) (Te (O H)6)","","- Cs2 H6 O10 S Te -","- Cs2 H6 O10 S Te -","- Cs6 H18 O30 S3 Te3 -","3","0.333333","","Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M.","Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6","International Journal of Inorganic Materials","2001","3","","861","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526326","14.205","","14.205","","30.265","","90","","90","","120","","5288.76","","","","","","","","","","","","","15","R 3 :H","R 3","146","","Zr3 (Mn2.1 Ca1.77 Ce0.63 Na1.35 Sr0.15) (Fe1.5 Zr0.63 Na0.57 Nb0.132 Ti0.168 Si1.9 Al0.1) (Na14.07 Sr0.45 K0.18) (Si3 O9)2 (Si9 O27)2 (O1.37 (O H)2.71) Cl0.3 (H2 O)1.52","","- Al0.1 Ca1.77 Ce0.63 Cl0.3 Fe1.5 H5.75 K0.18 Mn2.1 Na15.99 Nb0.132 O77.6 Si25.9 Sr0.6 Ti0.168 Zr3.63 -","- Al0.1 Ca1.77 Ce0.63 Cl0.3 Fe1.5 K0.18 Mn2.1 Na15.99 Nb0.132 O77.6 Si25.9 Sr0.6 Ti0.168 Zr3.63 -","- Al0.3 Ca5.31 Ce1.89 Cl0.9 Fe4.5 K0.54 Mn6.3 Na47.97 Nb0.396 O232.8 Si77.7 Sr1.8 Ti0.504 Zr10.89 -","3","0.333333","","Rastsvetaeva, R.K.; Khomyakov, A.P.","Crystal structure of a new Mn, Na-ordered analog of eudialyte with R3 symmetry","Kristallografiya","2000","45","","649","652","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526546","10.076","","10.076","","6.9623","","90","","90","","120","","612.153","","","","","","","","","","","","","4","R 3 :H","R 3","146","","K Ni (P O3)3","","- K Ni O9 P3 -","- K Ni O9 P3 -","- K3 Ni3 O27 P9 -","3","0.333333","","Kapshuk, A.A.; Nagornyi, P.G.; Petrenko, O.V.","Synthesis, IR spectra and structures of double metaphosphates M Ni (P O3)3 (M= Na or K)","Kristallografiya","2000","45","","238","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527653","6.265","","6.265","","19.8","","90","","90","","120","","673.036","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Fe2 (P2 Se6)","","- Fe2 P2 Se6 -","- Fe2 P2 Se6 -","- Fe6 P6 Se18 -","3","0.333333","","Klingen, W.; Hahn, H.; Eulenberger, G.","Ueber die Kristallstrukturen von Fe2 P2 Se6 und Fe2 P2 S6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1973","401","","97","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","149328","2020-10-21","18:00:00",""
"1528809","14.134","","14.134","","30.178","","90","","90","","120","","5220.97","","","","","","","","","","","","","13","R 3 :H","R 3","146","","Na13.56 K0.18 Ca2.4 Mn3.51 Fe1.2 Ce0.57 Zr3 Ti0.06 Nb0.43 Si0.46 O2.07 (O H).49 Cl0.35 (H2 O)1.2","","- Ca2.4 Ce0.57 Cl0.35 Fe1.2 H2.89 K0.18 Mn3.51 Na13.56 Nb0.43 O3.76 Si0.46 Ti0.06 Zr3 -","- Ca2.4 Ce0.57 Cl0.35 Fe1.2 K0.18 Mn3.51 Na13.56 Nb0.43 O3.76 Si0.46 Ti0.06 Zr3 -","- Ca7.2 Ce1.71 Cl1.05 Fe3.6 K0.54 Mn10.53 Na40.68 Nb1.29 O11.28 Si1.38 Ti0.18 Zr9 -","3","0.333333","","Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V.","Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte","Kristallografiya","2006","51","","235","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528810","14.192","","14.192","","30.17","","90","","90","","120","","5262.51","","","","","","","","","","","","","16","R 3 :H","R 3","146","","Na15.66 K0.21 Ca3 Sr0.36 Y0.09 Mn1.44 Fe1.44 Ce0.33 Zr3.54 Ti0.21 Nb0.27 Si0.9 O2.34 (O H).90 Cl0.53 F0.66 (H2 O)0.86","","- Ca3 Ce0.33 Cl0.53 F0.66 Fe1.44 H2.62 K0.21 Mn1.44 Na15.66 Nb0.27 O4.1 Si0.9 Sr0.36 Ti0.21 Y0.09 Zr3.54 -","- Ca3 Ce0.33 Cl0.53 F0.66 Fe1.44 K0.21 Mn1.44 Na15.66 Nb0.27 O4.1 Si0.9 Sr0.36 Ti0.21 Y0.09 Zr3.54 -","- Ca9 Ce0.99 Cl1.59 F1.98 Fe4.32 K0.63 Mn4.32 Na46.98 Nb0.81 O12.3 Si2.7 Sr1.08 Ti0.63 Y0.27 Zr10.62 -","3","0.333333","","Rastsvetaeva, R.K.; Rozenberg, K.A.; Moeckel, S.; Chukanov, N.V.; Pekov, I.V.","Crystal structures of two new low-symmetry calcium-deficient analogs of eudialyte","Kristallografiya","2006","51","","235","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529517","6.04272","","6.04272","","13.2317","","90","","90","","120","","418.419","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Na (H3 O) (I (O H)3 O3)","","- H6 I Na O7 -","- H4.23 I Na O7 -","- H12.69 I3 Na3 O21 -","3","0.333333","","Abrahams, S.C.; Bernstein, J.L.","Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure","Journal of Chemical Physics","1978","69","","4234","4237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530362","11.976","","11.976","","7.055","","90","","90","","120","","876.297","","","","","","","","","","","","","2","R 3 :H","R 3","146","","Pd7 P3","","- P3 Pd7 -","- P3 Pd7 -","- P18 Pd42 -","6","0.666667","","Matkovic, T.; Schubert, K.","Kristallstruktur von Pd7 P3","Journal of the Less-Common Metals","1977","55","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","155447","2020-10-21","18:00:00",""
"1530433","8.275","","8.275","","36.6","","90","","90","","120","","2170.44","","","","","","","","","","","","","7","R 3 :H","R 3","146","","Mn10.39 Mg2.53 Al1.89 Fe0.19 (O H)23 (As O3) (As O4)2","","- Al1.89 As3 Fe0.19 H23 Mg2.53 Mn10.39 O34 -","- Al1.9 As3 Fe0.19 Mg2.52 Mn10.39 O34 -","- Al5.7 As9 Fe0.57 Mg7.56 Mn31.17 O102 -","3","0.333333","","Moore, P.B.; Araki, T.","Hematolite. A complex dense-packed sheet structure","American Mineralogist","1978","63","","150","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530985","15.59","","15.59","","12.44","","90","","90","","120","","2618.44","","","","","","","","","","","","","5","R 3 :H","R 3","146","","K6 (Mn Mo9 O32) (H2 O)5.52","","- H11.04 K6 Mn Mo9 O37.52 -","- K6 Mn Mo9 O37.52 -","- K18 Mn3 Mo27 O112.56 -","3","0.333333","","Weakley, T.J.R.","The crystal structure of potassium nonamolybdomanganate(IV) hexahydrate, K6 (Mn Mo9 O32) (H2 O)6","Journal of the Less-Common Metals","1977","54","","289","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531096","7.7305","","7.7305","","9.417","","90","","90","","120","","487.37","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Cs Cd (N O2)3","","- Cd Cs N3 O6 -","- Cd Cs N3 O6 -","- Cd3 Cs3 N9 O18 -","3","0.333333","","Avdeev, M.; Kharton, V.","Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data","Materials Research Bulletin","2002","37","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531097","7.629","","7.629","","9.2355","","90","","90","","120","","465.507","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Rb Cd (N O2)3","","- Cd N3 O6 Rb -","- Cd N3 O6 Rb -","- Cd3 N9 O18 Rb3 -","3","0.333333","","Avdeev, M.; Kharton, V.","Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data","Materials Research Bulletin","2002","37","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531098","7.5887","","7.5887","","9.1285","","90","","90","","120","","455.266","","","","","","","","","","","","","4","R 3 :H","R 3","146","","K Cd (N O2)3","","- Cd K N3 O6 -","- Cd K N3 O6 -","- Cd3 K3 N9 O18 -","3","0.333333","","Avdeev, M.; Kharton, V.","Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data","Materials Research Bulletin","2002","37","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531099","7.6219","","7.6219","","9.23","","90","","90","","120","","464.364","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Tl Cd (N O2)3","","- Cd N3 O6 Tl -","- Cd N3 O6 Tl -","- Cd3 N9 O18 Tl3 -","3","0.333333","","Avdeev, M.; Kharton, V.","Crystal structure of rhombohedral M Cd (N O2)3 (M = K, Rb, Cs, Tl) from X-ray powder diffraction data","Materials Research Bulletin","2002","37","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531227","16.91","","16.91","","41.5","","90","","90","","120","","10277","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Ca2.3 (Ca0.7 Nb1.95 V0.05) O8","","- Ca3 Nb1.95 O8 V0.05 -","- Ca3.00035 Nb1.95 O8 V0.05 -","- Ca180.021 Nb117 O480 V3 -","60","6.66667","","Cranswick, L.M.D.; Mumme, W.G.; Roth, R.S.; Grey, I.E.; Bordet, P.","A new octahedral tilt in the perovskite phase Ca3 Nb2 O8","Journal of Solid State Chemistry","2003","172","","178","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","156597","2020-10-21","18:00:00",""
"1532389","8.99","","8.99","","35.91","","90","","90","","120","","2513.42","","","","","","","","","","","","","7","R 3 :H","R 3","146","","Ca4 (Ca0.7 Na0.3)3 Na0.7 Li5 (B22 O39 (O H)3) (C O3) (O H) ((O H)0.8 (H2 O)0.2)","","- C H5.2 B22 Ca6.1 Li5 Na1.6 O47 -","- C B22 Ca6.1 Li5 Na1.6 O47 -","- C3 B66 Ca18.3 Li15 Na4.8 O141 -","3","0.333333","","Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Dimitrova, O.V.; Kantor, A.P.","Crystal structure of new synthetic (Ca, Na, Li)-carbonate-borate","Kristallografiya","2002","47","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532645","12.0601","","12.0601","","33.97","","90","","90","","120","","4278.86","","","","","","","","","","","","","5","R 3 :H","R 3","146","","(Zn (H2 O)4)2 (H2 As6 V15 O42 (H2 O)) (H2 O)2","","- As6 H24 O53 V15 Zn2 -","- As6 O53 V15 Zn2 -","- As18 O159 V45 Zn6 -","3","0.333333","","Cui Xiaobing; Xu Jiqing; Ding Lan; Ding Hong; Yang Guoyu; Ye Ling","Hydrothermal synthesis, crystal structure and characterization of (Zn (H2 O)4)2 (H2 As6 V15 O42 (H2 O)) * 2(H2 O)","Journal of Molecular Structure","2003","660","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532812","3.781","","3.781","","46.807","","90","","90","","120","","579.502","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Ga2 Cr1.33 Se5","","- Cr1.33 Ga2 Se5 -","- Cr1.334 Ga2.001 Se5 -","- Cr4.002 Ga6.003 Se15 -","3","0.333333","","Okonska-Kozlowska, I.; Szamocka, K.; Malicka, E.; Heimann, J.; Gron, T.; Mydlarz, T.; Gilewski, A.; Waskowska, A.","The crystal structure and properties of Ga2 Cr1.33 Se5, a new layered semiconductor","Journal of Alloys Compd.","2004","366","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","158799","2020-10-21","18:00:00",""
"1534101","31.82","0.005","31.82","0.005","6.203","0.0012","90","","90","","120","","5439.2","1.6","294","2","294","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C24 H29 F N2 O5 -","- C24 H29 F N2 O5 -","- C216 H261 F9 N18 O45 -","9","1","","Bonetti, Andrea; Pellegrino, Sara; Das, Priyadip; Yuran, Sivan; Bucci, Raffaella; Ferri, Nicola; Meneghetti, Fiorella; Castellano, Carlo; Reches, Meital; Gelmi, Maria Luisa","Dipeptide Nanotubes Containing Unnatural Fluorine-Substituted β(2,3)-Diarylamino Acid and l-Alanine as Candidates for Biomedical Applications.","Organic letters","2015","17","18","4468","4471","10.1021/acs.orglett.5b02132","","","0.71073","MoKα","","0.0712","0.0497","","","0.127","0.1434","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534466","15.617","","15.617","","9.398","","90","","90","","120","","1985","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Er13 Ge6 O31 (O H)","","- Er13 Ge6 H O32 -","- Er13 Ge6 O32 -","- Er39 Ge18 O96 -","3","0.333333","","Genkina, E.A.; Maximov, B.A.; Dem'yanets, L.N.; Mamin, B.F.","Synthesis and atomic structure of Er13 Ge6 O31 (O H)","Kristallografiya","1990","35","","642","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534591","10.0124","","10.0124","","14.8413","","90","","90","","120","","1288.48","","","","","","","","","","","","","4","R 3 :H","R 3","146","","K2 (Ti Si3 O9)","","- K2 O9 Si3 Ti -","- K2 O9 Si3 Ti -","- K12 O54 Si18 Ti6 -","6","0.666667","","Lin, Z.; Ferreira, A.; Rocha, J.","Synthesis and structural characterization of novel tin and titanium potassium silicates K4 M2 Si6 O18","Journal of Solid State Chemistry","2003","175","","258","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535209","11.87","","11.87","","4.69","","90","","90","","120","","572.275","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Sn3 (P O4) F3","","- F3 O4 P Sn3 -","- F3 O4 P Sn3 -","- F9 O12 P3 Sn9 -","3","0.333333","","Berndt, A. F.","Reaction of stannous fluoride with hydroxyapatite: The crystal structure of Sn~3PO~4~F~3~","Journal of Dental Research","1972","51","1","53","57","10.1177/00220345720510012801","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535828","7.124","","7.124","","84.1","","90","","90","","120","","3696.36","","","","","","","","","","","","","4","R 3 :H","R 3","146","","(Ce F (C O3))2 (Ca (C O3))","","- C Ca Ce2 F2 -","- C Ca Ce2 F2 -","- C18 Ca18 Ce36 F36 -","18","2","","Donnay, G.; Donnay, J.D.H.","The crystallography of bastnaesite, parisite, roentgenite, and synchisite","American Mineralogist","1953","38","","932","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535831","7.131","","7.131","","69.39999","","90","","90","","120","","3056.26","","","","","","","","","","","","","4","R 3 :H","R 3","146","","(Ce F (C O3))3 (Ca C O3)2","","- C Ca2 Ce3 F3 -","- C Ca2 Ce3 F3 -","- C9 Ca18 Ce27 F27 -","9","1","","Donnay, G.; Donnay, J.D.H.","The crystallography of bastnaesite, parisite, roentgenite, and synchisite","American Mineralogist","1953","38","","932","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536142","6.362","","6.362","","19.929","","90","","90","","120","","698.56","","","","","","","","","","","","","3","R 3 :H","R 3","146","","In4 (P2 Se6)3","","- In4 P6 Se18 -","- In3.996 P6 Se18 -","- In3.996 P6 Se18 -","1","0.111111","","Voroshilov, Yu.V.; Potorii, M.V.; Gebesh, V.Yu.","Phase equilibria in In-P-Se system and crystal structure of beta - In4 (P2 Se6)3","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2495","2498","","","","","","","","","","","","","","","","","","","","","","has coordinates","163747","2020-10-21","18:00:00",""
"1536329","18.1525","","18.1525","","18.65739","","90","","90","","120","","5324.2","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Sr17 Ta10 S42","","- S42 Sr17 Ta10 -","- S42 Sr16.9992 Ta10 -","- S126 Sr50.9976 Ta30 -","3","0.333333","","Onoda, M.; Saeki, M.; Yajima, Y.","Preparation and crystal structure model of a new strontium tantalumsulfide: Sr17 Ta10 S42","Journal of Solid State Chemistry","1993","105","","354","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","164002","2020-10-21","18:00:00",""
"1537230","12.666","","12.666","","15.86","","90","","90","","120","","2203.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.23 Ir Cl12.23","","- Bi11.23 Cl12.23 Ir -","- Bi11.25 Cl12.235 Ir -","- Bi33.75 Cl36.705 Ir3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537233","12.612","","12.612","","15.917","","90","","90","","120","","2192.6","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.7 Rh Cl12.7","","- Bi11.7 Cl12.7 Rh -","- Bi11.694 Cl12.72 Rh -","- Bi35.082 Cl38.16 Rh3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537236","12.961","","12.961","","16.416","","90","","90","","120","","2388.22","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.28 Rh Br12.28","","- Bi11.28 Br12.28 Rh -","- Bi11.28 Br12.285 Rh -","- Bi33.84 Br36.855 Rh3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538359","5.103","","5.103","","13.755","","90","","90","","120","","310.2","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Ni3 (Te O6)","","- Ni3 O6 Te -","- Ni3 O6 Te -","- Ni9 O18 Te3 -","3","0.333333","","Newnham, R.E.; Meagher, E.P.","Crystal structure of Ni3 Te O6","Materials Research Bulletin","1967","2","","549","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540954","5.18","","5.18","","10.33","","90","","90","","120","","240.044","","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Cu2.601 Mo9 S12 -","- Cu2.601 Mo9 S12 -","- Cu2.601 Mo9 S12 -","1","0.111111","","Shamrai, V.F.; Leitus, G.M.; Tandid, A.V.","Crystal structure of Cu1.73 Mo6 S7.9","Soviet Physics, Crystallography (= Kristallografiya)","1987","32","","671","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541134","15.665","","15.665","","8.761","","90","","90","","120","","1861.85","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Si9 Sn4 P16","","- P15.99 Si9 Sn4.2 -","- P15.99 Si9 Sn4.2 -","- P47.97 Si27 Sn12.6 -","3","0.333333","","Pivan, J.Y.; Guerin, P.; Padiou, J.; Sergent, M.","Preparation and crystal structure of the semiconducting compound Sn4.2 Si9 P16","Journal of Solid State Chemistry","1988","76","","26","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","172367","2020-10-21","18:00:00",""
"1541185","3.433","","3.433","","20.94","","90","","90","","120","","213.725","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Na1.65 Ti3 S6","","- Na1.65 S6 Ti3 -","- Na1.65 S6 Ti3 -","- Na1.65 S6 Ti3 -","1","0.111111","","Rouxel, J.; Danot, M.; Bichon, J.","Les composes intercalaires Nax Ti S2. Etude structurale generale des phases Nax Ti S2 et Kx Ti S2","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","3930","3935","","","","","","","","","","","","","","","","","","","","","","has coordinates","172449","2020-10-21","18:00:00",""
"1541200","7.59","","7.59","","43.2","","90","","90","","120","","2155.25","","","","","","","","","","","","","2","R 3 :H","R 3","146","","","","- Pd8 Sb3 -","- Pd8 Sb3 -","- Pd96 Sb36 -","12","1.33333","","Man, L.I.; Imamov, R.M.","Crystal structure of the rhombohedral phase in the Pd-Sb system","Soviet Physics, Crystallography (= Kristallografiya)","1979","24","","365","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541283","4.111","","4.111","","25.036","","90","","90","","120","","366.43","","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Al4.2 Cu3.2 Zn0.7 -","- Al4.2 Cu3.2 Zn0.7 -","- Al12.6 Cu9.6 Zn2.1 -","3","0.333333","","Murphy, S.","The Structure of the T' Phase in the System Al-Cu-Zn","Metal Science","1975","9","1","163","168","10.1179/030634575790444414","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541426","8.233","","8.233","","37.499","","90","","90","","120","","2201.24","","","","","","","","","","","","","8","R 3 :H","R 3","146","","Cu0.84 Mn13.9 Mg0.1 Fe As6.3 Si1.7 O33 H6","","- As6.3 Cu0.84 Fe H6 Mg0.1 Mn13.9 O33 Si1.7 -","- As6.3 Cu0.843 Fe Mg0.1 Mn13.9 O33 Si1.7 -","- As18.9 Cu2.529 Fe3 Mg0.3 Mn41.7 O99 Si5.1 -","3","0.333333","","Araki, T.; Moore, P.B.","Dixeneite, Cu(1+) Mn(2+)14 Fe(3+) (OH)6 (As(3+)O3)5 (Si(4+) O4)2 (As(5+) O4): metallic (As(3+)4 Cu(1+)) clusters in an oxide matrix","American Mineralogist","1981","66","","1263","1273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542874","14.513","0.002","14.513","0.002","10.772","0.002","90","","90","","120","","1964.9","0.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Ge Si4 -","- C18 H48 Ge Si4 -","- C54 H144 Ge3 Si12 -","3","0.333333","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0233","0.0228","","","0.054","0.0542","","","","","","1.026","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542875","14.643","0.002","14.643","0.002","10.892","0.002","90","","90","","120","","2022.5","0.5","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C18 H48 Ge5 -","- C18 H48 Ge5 -","- C54 H144 Ge15 -","3","0.333333","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0295","0.0289","","","0.0702","0.0705","","","","","","1.026","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1543508","19.678","0.006","19.678","0.006","13.192","0.005","90","","90","","120","","4424","3","","","120","","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H23 N O4 -","- C20 N O4 -","- C180 N9 O36 -","9","1","","Breinholt, Jens; Jensen, Helle C.; Kjaer, Anders; Olsen, Carl E.; Rassing, Birgitte R.; Rosendahl, Connie N.; Sotofte, Inger","Cladobotryal: a Fungal Metabolite with a Novel Ring System","Acta Chemica Scandinavica","1998","52","","631","634","10.3891/acta.chem.scand.52-0631","","x-ray","0.71073","MoKα","","","0.1057","","","","0.3206","","","","","","1.09","","","","has coordinates","183883","2020-10-21","18:00:00",""
"1547492","19.7299","0.0001","19.7299","0.0001","30.7413","0.0002","90","","90","","120","","10363.4","0.1","153","2","153","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C450 H522 N18 O90 -","18","2","","Cui, Hui; Lin, Yun; Luo, Mingchu; Lu, Yongjun; Huang, Xishan; She, Zhigang","Diaporisoindoles A-C: Three Isoprenylisoindole Alkaloid Derivatives from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","Organic letters","2017","19","20","5621","5624","10.1021/acs.orglett.7b02748","","","1.54178","CuKα","","0.0301","0.0294","","","0.0804","0.0811","","","","","","1.041","","","","has coordinates","202827","2020-10-21","18:00:00",""
"1547614","31.8047","0.001","31.8047","0.001","11.8143","0.0005","90","","90","","120","","10349.5","0.6","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C25 H21 N O5 -","- C25 H20.5 N O5 -","- C450 H369 N18 O90 -","18","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0566","0.0554","","","0.1568","0.1593","","","","","","1.07","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1551373","19.3322","0.0008","19.3322","0.0008","28.9191","0.0013","90","","90","","120","","9360","0.7","100","2","100","","","","","","","","","4","R 3 :H","R 3","146","","1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane","","- C168 H88 N26 O18 -","- C168.001 H88.0008 N26.0004 O18 -","- C504.004 H264.002 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","0.71073","MoKα","","0.0641","0.0563","","","0.1491","0.1568","","","","","","1.034","","","","has coordinates,has disorder","215891","2020-10-21","18:00:00",""
"1551374","19.3695","0.0004","19.3695","0.0004","28.9712","0.001","90","","90","","120","","9413.1","0.4","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.1237","0.0924","","","0.2541","0.2862","","","","","","1.046","","","","has coordinates,has disorder","215892","2020-10-21","18:00:00",""
"1551375","19.4976","0.0006","19.4976","0.0006","29.0508","0.0016","90","","90","","120","","9564.3","0.7","99.99","","99.99","","","","","","","","","4","R 3 :H","R 3","146","","poly(1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane)","","- C168 H88 N26 O18 -","- C168.001 H88.0158 N26.0004 O18 -","- C504.004 H264.047 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","1.54178","CuKα","","0.1256","0.0987","","","0.2715","0.3055","","","","","","1.165","","","","has coordinates,has disorder","215893","2020-10-21","18:00:00",""
"1551377","19.4393","0.0005","19.4393","0.0005","28.547","0.002","90","","90","","120","","9342.3","0.7","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.2333","0.1195","","","0.3079","0.3914","","","","","","1.107","","","","has coordinates,has disorder","215895","2020-10-21","18:00:00",""
"1552639","30.7488","0.0004","30.7488","0.0004","14.4242","0.0003","90","","90","","120","","11810.8","0.3","151","2","151","2","","","","","","","","4","R 3 :H","R 3","146","Conophyllinine","","","- C44 H52 N4 O11 -","- C44 H52 N4 O11 -","- C396 H468 N36 O99 -","9","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54178","CuKα","","0.0563","0.0542","","","0.1584","0.1616","","","","","","1.08","","","","has coordinates","222162","2020-10-21","18:00:00",""
"1552766","34.841","0.003","34.841","0.003","5.566","0.0006","90","","90","","120","","5851.3","1","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C28 H22 N3 P -","- C28 H22 N3 P -","- C252 H198 N27 P9 -","9","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0668","0.0489","","","0.1154","0.1267","","","","","","1.054","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1553667","14.7047","0.0004","14.7047","0.0004","23.9058","0.0008","90","","90","","120","","4476.6","0.2","103","4","103","4","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H16 Cl4 N4 O2 -","- C18 H15.784 Cl4 N2.66667 O2 -","- C162 H142.056 Cl36 N24 O18 -","9","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0705","0.07","","","0.1908","0.1915","","","","","","1.074","","","","has coordinates,has disorder","235880","2020-10-21","18:00:00",""
"1554927","20.961","0.008","20.961","0.008","7.086","0.003","90","","90","","120","","2696.2","1.8","273","2","273.15","","","","","","","","","3","R 3 :H","R 3","146","","","","- C16 H18 O -","- C16 H18 O -","- C144 H162 O9 -","9","1","","Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong","Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F","Organic Chemistry Frontiers","2019","6","15","2771","","10.1039/C9QO00477G","","","0.71073","MoKα","","0.1082","0.0714","","","0.1619","0.1846","","","","","","0.936","","","","has coordinates","238215","2020-10-21","18:00:00",""
"1555598","24.3768","0.0013","24.3768","0.0013","7.2197","0.0005","90","","90","","120","","3715.4","0.4","150","2","150","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C19 H20 N2 O1.76 -","- C19 H20 N2 O1.76 -","- C171 H180 N18 O15.84 -","9","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","1.54178","CuKα","","0.1244","0.1219","","","0.3453","0.351","","","","","","1.776","","","","has coordinates","238929","2020-10-21","18:00:00",""
"1557152","13.01","0.004","13.01","0.004","8.615","0.003","90","","90","","120","","1262.8","0.7","","","293","","","","","","","","","4","R 3 :H","R 3","146","Double Carbonate K2Ca2(CO3)3","","","- C3 Ca2 K2 O9 -","- C3 Ca2 K2 O9 -","- C18 Ca12 K12 O54 -","6","0.666667","","Winbo, Camilla; Bostrom, Dan; Gobbels, Matthias","Crystal Structure of the Double Carbonate K2Ca2(CO3)3","Acta Chemica Scandinavica","1997","51","","387","391","10.3891/acta.chem.scand.51-0387","","x-ray","0.71073","MoKα","","","0.018","","","0.018","","","","","","","1.002","","","","has coordinates","247251","2020-10-21","18:00:00",""
"1558857","25.07149","0.00013","25.07149","0.00013","11.09028","0.00007","90","","90","","120","","6037.17","0.06","123","","123","","","","","","","","","2","R 3 :H","R 3","146","","","","- C25 H13 -","- C25 H13 -","- C225 H117 -","9","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0594","0.0593","","","0.1696","0.1699","","","","","","1.085","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1558898","8.71929","0.00008","8.71929","0.00008","21.4656","0.0002","90","","90","","120","","1413.31","0.02","","","298","","","","100","","","","","3","R 3 :H","R 3","146","beta-Li10P4N10","","","- Li10 N10 P4 -","- Li9.9999 N10 P4 -","- Li59.9994 N60 P24 -","6","0.666667","","Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W.","Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br","Chemistry A European Journal","2018","24","","196","205","10.1002/chem.201704305","","","","","","","","","","","","","","","","","","","","","has coordinates","255591","2020-10-21","18:00:00",""
"1558984","20.3878","0.0008","20.3878","0.0008","16.4288","0.0007","90","","90","","120","","5913.9","0.4","150","","150","","","","","","","","","8","R 3 :H","R 3","146","","","","- C87 H114 Co F3 N4 O P3 Zr -","- C87 H114 Co F3 N4 O P3 Zr -","- C261 H342 Co3 F9 N12 O3 P9 Zr3 -","3","0.333333","","Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda","Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center","Chemical Science","2020","","","","","10.1039/D0SC04229C","","x-ray","0.71073","MoKα","K-L~3~","0.022","0.0205","","","0.0516","0.0522","","","","","","1.092","","","","has coordinates,has disorder","255936","2020-10-21","18:00:00",""
"1559412","24.2245","0.0015","24.2245","0.0015","12.4413","0.0006","90","","90","","120","","6322.8","0.6","100","0.1","100","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C31 H28 N4 O5 -","- C31 H28 N4 O5 -","- C279 H252 N36 O45 -","9","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","x-ray","1.54184","CuKα","","0.0969","0.0793","","","0.196","0.2143","","","","","","1.069","","","","has coordinates","258606","2020-10-27","00:09:44",""
"1561860","6.237006","0.000015","6.237006","","36.86138","0.00014","90","","90","","120","","1241.81","0.006","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- O11 Pb Ta4 -","- O11 Pb Ta4 -","- O66 Pb6 Ta24 -","6","0.666667","","Boltersdorf, Jonathan; Maggard, Paul A.","Structural and electronic investigations of PbTa4O11 and BiTa7O19 constructed from α-U3O8 types of layers","Journal of Solid State Chemistry","2015","229","","310","321","10.1016/j.jssc.2015.06.019","","","","","","","","","","","","","","1.91","","","","","","","has coordinates","264244","2021-04-16","09:01:15",""
"1562919","9.5967","0.0011","9.5967","0.0011","8.671","0.002","90","","90","","120","","691.58","0.19","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge S6 -","- Ba Ga2.01 Ge0.99 S6 -","- Ba3 Ga6.03 Ge2.97 S18 -","3","0.333333","","Lin, Xinsong; Guo, Yifeng; Ye, Ning","BaGa2GeX6(X=S, Se): New mid-IR nonlinear optical crystals with large band gaps","Journal of Solid State Chemistry","2012","195","","172","177","10.1016/j.jssc.2012.01.043","","","0.71073","MoKα","","0.0264","0.0251","","","0.0529","0.0533","","","","","","1.039","","","","has coordinates","265548","2021-05-27","08:39:18",""
"1562920","10.0438","0.0013","10.0438","0.0013","9.114","0.002","90","","90","","120","","796.2","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge Se6 -","- Ba Ga2.01 Ge0.99 Se6 -","- Ba3 Ga6.03 Ge2.97 Se18 -","3","0.333333","","Lin, Xinsong; Guo, Yifeng; Ye, Ning","BaGa2GeX6(X=S, Se): New mid-IR nonlinear optical crystals with large band gaps","Journal of Solid State Chemistry","2012","195","","172","177","10.1016/j.jssc.2012.01.043","","","0.71073","MoKα","","0.0314","0.0295","","","0.0556","0.0566","","","","","","1.017","","","","has coordinates","265548","2021-05-27","08:39:19",""
"1564175","44.4417","0.001","44.4417","0.001","11.323","0.0003","90","","90","","120","","19367.5","0.8","100","","100","","","","","","","","","7","R 3 :H","R 3","146","","","","- C58 H52 Br2 N4 Na2 Ni4 O12 -","- C58 H52 Br2 N4 Na1.99983 Ni4 O12 -","- C522 H468 Br18 N36 Na17.9985 Ni36 O108 -","9","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0536","0.0503","","","0.1305","0.1327","","","","","","1.159","","","","has coordinates,has disorder","267561","2021-07-15","09:59:02",""
"1564485","21.4608","0.0004","21.4608","0.0004","14.8972","0.0003","90","","90","","120","","5941.9","0.2","93","2","93","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C40 H102 Cl5.01 F0 Mo6 N19 O38.04 Ti -","- C40 H102 Cl5.01 Mo6 N19 O38.04 Ti -","- C120 H305.999 Cl15.03 Mo18 N57 O114.12 Ti3 -","3","0.333333","","Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito","Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution","Inorganica Chimica Acta","2020","509","","119691","","10.1016/j.ica.2020.119691","","","1.54178","CuKα","","0.048","0.0442","","","0.1117","0.114","","","","","","1.047","","","","has coordinates","268327","2021-08-31","09:29:56",""
"1564486","22.041","0.0012","22.041","0.0012","14.5043","0.0008","90","","90","","120","","6102.2","0.6","93","2","93","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C36 H90 Cl6 In2 Mo6 N18 O45 -","- C36 H96 Cl6 In2 Mo6 N18 O45.9999 -","- C108 H288 Cl18 In6 Mo18 N54 O138 -","3","0.333333","","Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito","Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution","Inorganica Chimica Acta","2020","509","","119691","","10.1016/j.ica.2020.119691","","","1.54178","CuKα","","0.0559","0.0556","","","0.146","0.1464","","","","","","0.936","","","","has coordinates,has disorder","268327","2021-08-31","09:29:57",""
"1565779","22.7267","0.0014","22.7267","0.0014","27.59","0.002","90","","90","","120","","12341.1","1.4","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C81 H186 Ag20 O27 P12 Pt S24 -","- C81 H186 Ag20 O27 P12 Pt S24 -","- C243 H558 Ag60 O81 P36 Pt3 S72 -","3","0.333333","","Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Chiu, Tzu-Hao; Liao, Jian-Hong; Liu, C. W.; Saillard, Jean-Yves","Alloying dichalcogenolate-protected Ag<sub>21</sub> eight-electron nanoclusters: a DFT investigation.","Nanoscale","2021","14","1","196","203","10.1039/d1nr06019h","","","0.71073","MoKα","","0.0522","0.0491","","","0.1194","0.1231","","","","","","1.044","","","","has coordinates,has disorder","272705","2022-02-04","19:51:15",""
"1566522","20.366","","20.366","","13.791","","90","","90","","120","","4953.79","","120","","120","","","","","","","","","4","R 3 :H","R 3","146","","","","- C69 H96 N6 O6 -","- C68.9994 H95.9988 N6 O6 -","- C206.998 H287.996 N18 O18 -","3","0.333333","","Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M.","Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation","Chemical Science","2022","","","","","10.1039/D2SC00207H","","","1.54184","CuKα","","0.0381","0.0381","","","0.1073","0.1073","","","","","","1.102","","","","has coordinates,has disorder","273210","2022-03-02","23:09:38",""
"1566523","20.3338","0.0003","20.3338","0.0003","13.7372","0.0004","90","","90","","120","","4918.88","0.18","120","","120","","","","","","","","","4","R 3 :H","R 3","146","","","","- C66 H90 N6 O6 -","- C66.0006 H90.0012 N6 O6 -","- C198.002 H270.004 N18 O18 -","3","0.333333","","Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M.","Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation","Chemical Science","2022","","","","","10.1039/D2SC00207H","","","1.54178","CuKα","","0.0708","0.0708","","","0.2055","0.2056","","","","","","1.074","","","","has coordinates,has disorder","273210","2022-03-02","23:09:38",""
"1568165","22.1273","0.0009","22.1273","0.0009","62.674","0.004","90","","90","","120","","26575","2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C256 H432 Fe4 N28 O186 S12 -","- C192 H174 Fe4 N24 O90 S12 -","- C576 H522 Fe12 N72 O270 S36 -","3","0.333333","","Schwab, Jake H.; Bailey, Jake B.; Gembicky, Milan; Stauber, Julia M.","Programmable synthesis of well-defined, glycosylated iron(ii) supramolecular assemblies with multivalent protein-binding capabilities.","Chemical science","2023","14","4","1018","1026","10.1039/d2sc05689e","","x-ray","0.71073","MoKα","K-L~3~","0.1235","0.0858","","","0.2421","0.2881","","","","","","1.036","","","","has coordinates,has disorder","281360","2023-03-04","17:52:56",""
"1568353","28.972","0.004","28.972","0.004","8.1427","0.0016","90","","90","","120","","5919.1","1.6","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H13 N3 Sn -","- C15 H13 N3 Sn -","- C270 H234 N54 Sn18 -","18","2","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0378","0.037","","","0.0952","0.0958","","","","","","1.133","","","","has coordinates,has disorder","283149","2023-05-05","00:54:10",""
"1569505","21.6918","0.0002","21.6918","0.0002","24.6601","0.0002","90","","90","","120","","10048.9","0.15","172.99","0.1","172.99","0.1","","","","","","","","6","R 3 :H","R 3","146","","","","- C43.67 H35.67 Cl5 N8 O6 S2 -","- C43.6667 H35.6667 Cl5 N8 O6 S2 -","- C393 H321 Cl45 N72 O54 S18 -","9","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0559","0.0554","","","0.1649","0.1658","","","","","","1.041","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1570702","34.63","0.0019","34.63","0.0019","4.803","0.0004","90","","90","","120","","4988.2","0.6","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C34 H19 B -","- C34 H19 B -","- C306 H171 B9 -","9","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.6199","synchrotron","","0.0523","0.0474","","","0.1249","0.1291","","","","","","1.068","","","","has coordinates","290114","2024-03-04","19:59:06",""
"2000380","23.978","0.004","23.978","0.004","8.918","0.002","90","","90","","120","","4440.4","1.4","","","","","","","","","","","","3","R 3 :H","R 3","","","","","- C26 H26 O -","- C26 H26 O -","- C234 H234 O9 -","9","1","HA0099","Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.","Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane","Acta Crystallographica Section C","1992","48","12","2203","2207","10.1107/S0108270192004141","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001597","15.0144","0.0007","15.0144","0.0007","25.829","0.001","90","","90","","120","","5042.6","0.4","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C36 H30 Ir N3 -","- C18 H15 Ir0.5 N1.5 -","- C108 H90 Ir3 N9 -","6","0.666667","CR1031","Garces, F. O.; Dedeian, K.; Keder, N. L.; Watts, R. J.","Structures of <i>ortho</i>-metalated [2-(<i>p</i>-tolyl)pyridine]iridium(III) complexes","Acta Crystallographica Section C","1993","49","6","1117","1120","10.1107/S0108270193000836","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205963","2020-10-21","18:00:00",""
"2002320","6.03","","6.03","","24.75299","","90","","90","","120","","779.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Barium tetralutetium oxide","","- Ba3 Lu4 O9 -","- Ba3 Lu4 O9 -","- Ba9 Lu12 O27 -","3","0.333333","","Krueger, J; Mueller-Buschbaum, Hk","Ba3 Lu4 O9: Synthese und Strukturuntersuchung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","512","","59","64","10.1002/zaac.19845120508","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002333","6.042","","6.042","","24.85899","","90","","90","","120","","785.9","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Tribarium tetraytterbium oxide","","- Ba3 O9 Yb4 -","- Ba3 O9 Yb4 -","- Ba9 O27 Yb12 -","3","0.333333","","Krueger, J; Mueller-Buschbaum, Hk","Die Struktur von Ba3 Yb4 O9","Revue de Chimie Minerale","1983","20","","456","461","","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002469","6.0556","0.0004","6.0556","0.0004","24.9572","0.0024","90","","90","","120","","792.6","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Tribarium tetrathulium oxide","","- Ba3 O9 Tm4 -","- Ba3 O9 Tm4 -","- Ba9 O27 Tm12 -","3","0.333333","","Mueller-Buschbaum, Hk; Scheikowski, M","Zur Kristallstruktur von Ba3 Ln4 O9 (Ln = Tm, Ho)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","591","","181","187","10.1002/zaac.19905910121","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002470","6.0975","0.0064","6.0975","0.0064","25.13559","0.02","90","","90","","120","","809.3","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Tribarium tetraholmium oxide","","- Ba3 Ho4 O9 -","- Ba3 Ho4 O9 -","- Ba9 Ho12 O27 -","3","0.333333","","Mueller-Buschbaum, Hk; Scheikowski, M","Zur Kristallstruktur von Ba3 Ln4 O9 (Ln = Tm, Ho)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","591","","181","187","10.1002/zaac.19905910121","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002599","6.129","0.001","6.129","0.001","25.282","0.006","90","","90","","120","","822.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Tribarium tetradysprosium oxide","","- Ba3 Dy4 O9 -","- Ba3 Dy4 O9 -","- Ba9 Dy12 O27 -","3","0.333333","","Mueller-Buschbaum, Hk; Schrandt, O","Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb)","Journal of Alloys Compd.","1993","191","","151","154","10.1016/0925-8388(93)90288-X","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002600","6.086","0.002","6.086","0.002","25.077","0.008","90","","90","","120","","804.4","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Tribarium tetraerbium oxide","","- Ba3 Er4 O9 -","- Ba3 Er4 O9 -","- Ba9 Er12 O27 -","3","0.333333","","Mueller-Buschbaum, Hk; Schrandt, O","Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb)","Journal of Alloys Compd.","1993","191","","151","154","10.1016/0925-8388(93)90288-X","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002601","6.077","0.001","6.077","0.001","25.01399","0.009","90","","90","","120","","800","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Tribarium diyttrium diytterbium oxide","","- Ba3 O9 Y2 Yb2 -","- Ba3 O9 Y1.99 Yb2.01 -","- Ba9 O27 Y5.97 Yb6.03 -","3","0.333333","","Mueller-Buschbaum, Hk; Schrandt, O","Zur Kristallstruktur von Ba3 Ln4 O9 (Ln=Dy, Er, Y/Yb)","Journal of Alloys Compd.","1993","191","","151","154","10.1016/0925-8388(93)90288-X","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004036","30.195","0.004","30.195","0.004","14.871","0.002","90","","90","","120","","11742","3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","Tetrameric copper(II) complex of 6-hydroxy-1-phenyl-3-methyl-4-azahexa-3- en-1-one","","- C48 H52 Cu4 N4 O8 -","- C48 H52 Cu4 N4 O8 -","- C432 H468 Cu36 N36 O72 -","9","1","MU1182","Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z.","Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one","Acta Crystallographica Section C","1995","51","10","1980","1982","10.1107/S0108270195005634","","","0.71073","MoKα","","0.0566","0.0473","","0.1342","0.1294","","","","1.036","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004164","38.4","0.01","38.4","0.01","12.092","0.009","90","","90","","120","","15442","13","80","2","80","2","","","","","","","","7","R 3 :H","R 3","146","","fac-tris(thiocyanato)-tris(triphenylphosphine oxide)iron(III)","","- C57 H45 Fe N3 O3 P3 S3 -","- C57 H45 Fe N3 O3 P3 S3 -","- C684 H540 Fe12 N36 O36 P36 S36 -","12","1.33333","NA1168","Olejnik, Z.; Lis, T.; Ondrejkovicová, I.","<i>fac</i>-Tris(isothiocyanato)tris(triphenylphosphine oxide)iron(III) at 80 K","Acta Crystallographica Section C","1995","51","11","2246","2249","10.1107/S0108270195006354","","","0.71069","MoKα","","","0.0289","","","0.0759","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005099","13.628","0.003","13.628","0.003","9.096","0.002","90","","90","","120","","1463","0.6","293","","293","","","","","","","","","4","R 3 :H","R 3","146","Lithium Zinc Phosphate","","","- Li O4 P Zn -","- Li O4 P Zn -","- Li18 O72 P18 Zn18 -","18","2","BR1128","Bu, X.; Gier, T. E.; Stucky, G. D.","A New Form of Lithium Zinc Phosphate with an Ordered Phenakite Structure, LiZnPO~4~","Acta Crystallographica Section C","1996","52","7","1601","1603","10.1107/S0108270195015940","","","0.71073","MolybdenumKα","","0.024","0.024","","0.034","0.034","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005767","16.094","0.001","16.094","0.001","6.717","0.001","90","","90","","120","","1506.7","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","Chlorotris(m-methoxyphenyl)Tin(IV)","Chlorotris(m-methoxyphenyl)Tin(IV)","","- C21 H21 Cl O3 Sn -","- C21 H21 Cl O3 Sn -","- C63 H63 Cl3 O9 Sn3 -","3","0.333333","FG1223","Wharf, I.; Lebuis, A.-M.","Chlorotris(<i>m</i>-methoxyphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","12","3025","3027","10.1107/S0108270196012115","","","0.7093","MoKα","","0.0246","0.0244","","0.0522","0.0521","","","","1.049","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005897","16.942","0.001","16.942","0.001","5.9187","0.0004","90","","90","","120","","1471.25","0.16","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","tribenzyltin chloride","chlorotris(phenylmethyl)stannane","","- C21 H21 Cl Sn -","- C21 H21 Cl Sn -","- C63 H63 Cl3 Sn3 -","3","0.333333","SK1046","Ng, S. W.","Tribenzyltin Chloride","Acta Crystallographica Section C","1997","53","1","56","58","10.1107/S0108270196011614","","","0.71073","MoKα","","0.0229","0.0229","","0.0563","0.0563","","","","1.065","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006992","21.511","0.005","21.511","0.005","6.369","0.009","90","","90","","120","","2552","4","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","6-α-Chloro-3-α-Hydroximethyl-2,2-Dimethyl-Penam-1,1-Dioxide,","","- C8 H12 Cl N O4 S -","- C8 H12 Cl N O4 S -","- C72 H108 Cl9 N9 O36 S9 -","9","1","BM1175","Andres E. Goeta; Carlos E. Boschetti; Oreste Mascaretti; Graciela Punte","6α-Chloro-3α-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide","Acta Crystallographica Section C","1998","54","2","242","244","10.1107/S0108270197013103","","","0.71073","MoKα","","0.0291","0.0227","","0.0601","0.0582","","","","1.062","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007645","27.132","0.005","27.132","0.005","8.29","0.004","90","","90","","120","","5285","3","296","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C24 H33 N O3 -","- C24 H30 N O3 -","- C216 H270 N9 O27 -","9","1","NA1240","Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni","Enantiopure δ-Hydroxy-β-enamino Ketones","Acta Crystallographica Section C","1998","54","9","1306","1309","10.1107/S0108270196011985","","","1.5418","CuKα","","0.06","0.055","","0.084","0.074","","","","","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008217","18.1459","0.0006","18.1459","0.0006","12.2532","0.0005","90","","90","","120","","3494.1","0.2","150","","150","","","","","","","","","7","R 3 :H","R 3","146","","N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","","- C40 H66 B F4 N4 O9 P3 -","- C40 H66 B F4 N4 O9 P3 -","- C120 H198 B3 F12 N12 O27 P9 -","3","0.333333","BM1283","Foces-Foces, C.; Llamas-Saiz, A.L.; Alajarín, M.; López-Lázaro, A.; Molina, P.; N-Methyl-N,N,N-tris[2-(triethoxyphosphoranylideneamino)benzyl] ammonium","Two <i>C</i>~3~-symmetrical tris(<i>ortho</i>-substituted) tribenzylamines","Acta Crystallographica Section C","1999","55","3","373","377","10.1107/S0108270198013857","","","1.5418","CuKα","","0.042","0.042","","0.048","0.048","","","","1.518","","","1.517","","","","has coordinates","207948","2020-10-21","18:00:00",""
"2009397","22.426","0.005","22.426","0.005","6.395","0.004","90","","90","","120","","2785","2","296","","296","","","","","","","","","4","R 3 :H","R 3","146","","2,7-dimethyl-3,5-octadiyne-2,7-diol","","- C10 H14 Cl O2 -","- C10.3333 H14 Cl1.33333 O2 -","- C93 H126 Cl12 O18 -","9","1","MU1038","Leigh, D. A.; Moody, A. E.; Pritchard, R. G.","2,7-Dimethyl-3,5-octadiyne-2,7-diol dichloromethane solvate: a clathrate comprising hydrogen-bonded supramolecular tunnels containing dichloromethane guest molecules","Acta Crystallographica Section C","1994","50","1","129","131","10.1107/S0108270193007747","","","0.71069","MoKα","","","0.0609","","","0.0736","","","","","2.56","2.56","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010760","16.685","0.002","16.685","0.002","5.468","0.001","90","","90","","120","","1318.3","0.3","293","","","","","","","","","","","4","R 3 :H","R 3","146","","tribenzylphosphine oxide","","- C21 H21 O P -","- C21 H21 O P -","- C63 H63 O3 P3 -","3","0.333333","QB0179","Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel","Tribenzylphosphine oxide","Acta Crystallographica Section C","2000","56","3","e98","e99","10.1107/S0108270100001566","","","0.71073","MoKα","","0.034","0.032","","0.088","","0.088","","","1.068","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011227","16.611","0.003","16.611","0.003","10.6471","0.0013","90","","90","","120","","2544.2","0.7","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","2'-Deoxy-5-methylisocytidine","2-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methylpyrimidin-4(1H)-one","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C90 H135 N27 O36 -","9","1","JZ1402","Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria","2'-Deoxy-5-methylisocytidine","Acta Crystallographica Section C","2000","56","8","989","991","10.1107/S0108270100006247","","","0.71073","MoKα","","0.044","0.039","","","","0.096","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013852","34.3749","0.0008","34.3749","0.0008","5.7585","0.0001","90","","90","","120","","5892.8","0.2","160","2","160","2","","","","","","","","4","R 3 :H","R 3","146","","16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol","","- C30 H39 Cl O4 -","- C30 H39 Cl O4 -","- C270 H351 Cl9 O36 -","9","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.066","0.049","","","0.117","0.127","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015441","23.561","0.004","23.561","0.004","5.7823","0.0008","90","","90","","120","","2779.8","0.8","296","","296","","","","","","","","","4","R 3 :H","R 3","146","","(R,E)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C99 H135 N9 O18 -","9","1","HJ1092","Yüce, Süheyla; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","(<i>Z</i>)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (<i>Z</i>)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (<i>R</i>,<i>E</i>)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol","Acta Crystallographica Section C","2006","62","7","o389","o393","10.1107/S0108270106017252","","","0.71073","MoKα","","0.0644","0.0354","","","0.0826","0.0925","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017128","17.548","0.009","17.548","0.009","7.898","0.004","90","","90","","120","","2106.2","1.9","110","2","110","2","","","","","","","","6","R 3 :H","R 3","146","","amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4- ene)tetracopper(II)","","- C15 H30 Cl6 Cu4 N10 O -","- C15 H30 Cl6 Cu4 N10 O -","- C45 H89.9999 Cl18 Cu12 N30 O3 -","3","0.333333","FA3183","Chiarella, Gina M.; Melgarejo, Doris Y.; Fackler Jr, John P.","The neutral cluster amminehexa-μ~2~-chlorido-μ~4~-oxido-tris(1,4,6-triazabicyclo[3.3.0]oct-4-ene)tetracopper(II)","Acta Crystallographica Section C","2009","65","6","m228","m230","10.1107/S0108270109015054","","","0.71073","MoKα","","0.0373","0.0325","","","0.0615","0.0628","","","","","","0.935","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017293","9.2322","0.0003","9.2322","0.0003","12.0541","0.0005","90","","90","","120","","889.77","0.06","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","Lithium Carnallite","Lithium magnesium chloride heptahydrate","","- Cl3 H14 Li Mg O7 -","- Cl3 H14.01 Li Mg O7 -","- Cl9 H42.03 Li3 Mg3 O21 -","3","0.333333","FN3030","Schmidt, Horst; Euler, Bernhard; Voigt, Wolfgang; Heide, Gerhard","Lithium carnallite, LiCl·MgCl~2~·7H~2~O","Acta Crystallographica Section C","2009","65","9","i57","i59","10.1107/S0108270109029448","","","0.71073","MoKα","","0.0165","0.0156","","","0.0383","0.0384","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019018","13.941","0.005","13.941","0.005","15.693","0.007","90","","90","","120","","2641.3","1.8","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","Tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","","- C42 H44 Cl2 P2 -","- C42 H44 Cl2 P2 -","- C126 H132 Cl6 P6 -","3","0.333333","YF3030","Levason, William; Pugh, David; Reid, Gillian","Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","Acta Crystallographica Section C","2013","69","5","560","564","10.1107/S0108270113010226","","","0.71073","MoKα","","0.0483","0.0419","","","0.0958","0.0993","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2023033","24.3443","0.00007","24.3443","","14.55212","0.00004","90","","90","","120","","7468.81","0.03","295","","295","","","","","","","","","4","R 3 :H","R 3","146","omadacycline dihydrate","(4<i>S</i>,4a<i>S</i>,5a<i>R</i>,12a<i>R</i>)-4,7-Bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4<i>H</i>-tetracene-2-carboxamide dihydrate","","- C29 H40 N4 O8.961 -","- C29 H40 N4 O8.96367 -","- C261 H360 N36 O80.673 -","9","1","HB8082","Kaduk, James A.; Boaz, Nicholas C.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N.","Omadacycline dihydrate, C<sub>29</sub>H<sub>40</sub>N<sub>4</sub>O<sub>7</sub>·2H<sub>2</sub>O, from X-ray powder diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","292","295","10.1107/S2056989024001403","powder diffraction","x-ray","0.45813","synchrotron","","","","","","0.06233","","","","1.47","","","","","","","has coordinates","291123","2024-04-05","23:43:46",""
"2100853","10.6","0.001","10.6","0.001","14.167","0.002","90","","90","","120","","1378.5","0.3","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Cl11 N3 P4 -","- Cl11 N3 P4 -","- Cl33 N9 P12 -","3","0.333333","SE0086","Belaj, F.","Structures and electron density distributions of [Cl-P(NPCl~3~)~3~]^+^.Cl^{-^} and [Cl-P(NPCl~3~)~3~]^+^.PCl~6~^{-^}.1/2C~2~H~2~Cl~4~ at 100 K","Acta Crystallographica Section B","1992","48","5","598","604","10.1107/S010876819200363X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208313","2020-10-21","18:00:00",""
"2101404","6.224","0.003","6.224","0.003","19.49","0.01","90","","90","","120","","654","1","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Cd P S3 -","- Cd P S3 -","- Cd6 P6 S18 -","6","0.666667","DU0398","Boucher, F.; Evain, M.; Brec, R.","Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~","Acta Crystallographica Section B","1995","51","6","952","961","10.1107/S0108768195004824","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","277629","2022-09-05","11:31:26",""
"2103124","14.899","0.002","14.899","0.002","30.472","0.006","90","","90","","120","","5857.9","1.6","133","2","133","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C50 H121 Al3 F10 Li4 O5 Si9 -","- C50.91 H122.82 Al3 F10 Li4 O4 Si9 -","- C152.73 H368.46 Al9 F30 Li12 O12 Si27 -","3","0.333333","JZ0014","Herbst-Irmer, Regine; Sheldrick, George M.","Refinement of obverse/reverse twins","Acta Crystallographica, Section B: Structural Science","2002","58","3","477","481","10.1107/S0108768102001039","","","0.71073","MoKα","","0.0336","0.0323","","","0.0841","0.0873","","","","","","1.086","","","","has coordinates,has disorder","203217","2020-10-21","18:00:00",""
"2105409","8.847","","8.847","","10.321","","90","","90","","120","","699.591","","","","","","","","","","","","","3","R 3 :H","R 3","146","","(B N)3 Cl6","","- B3 Cl6 N3 -","- B3 Cl6 N3 -","- B9 Cl18 N9 -","3","0.333333","","Groeneveld, W.L.; Verschoor, G.C.; Haasnoot, J.G.; Romers, C.","On the crystal and molecular structure of hexachloroborazine","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2070","2073","10.1107/S0567740872005540","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106456","15.567","","15.567","","9.871","","90","","90","","120","","2071.58","","","","","","","","","","","","","5","R 3 :H","R 3","146","","(N H4)3 Sc (Se O4)3","","- H12 N3 O12 Sc Se3 -","- N3 O12 Sc Se3 -","- N18 O72 Sc6 Se18 -","6","0.666667","","Valkonen, J.; Niinisto, L.","Triammonium scandium selenate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","266","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107150","5.1576","","5.1576","","13.7842","","90","","90","","120","","317.547","","","","","","","","","","","","","3","R 3 :H","R 3","146","","((Li Ta O3)9 Ta2 O5)0.56","","- Li5.04 O17.92 Ta6.16 -","- Li5.097 O18 Ta6.198 -","- Li5.097 O18 Ta6.198 -","1","0.111111","","Santoro, A.; Roth, R.S.; Austin, M.","Powder neutron diffraction study of the nonstoichiometric solid solution of lithium tantalate (Li Ta O3)9 (Ta2 O5)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1094","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","167189","2020-10-21","18:00:00",""
"2201632","12.065","0.005","12.065","0.005","9.633","0.008","90","","90","","120","","1214.4","1.2","168","2","168","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C12 H30 N2 O7 -","- C12 H30 N2 O7 -","- C36 H90 N6 O21 -","3","0.333333","TK6067","Kemmitt, Tim; Gainsford, Graeme J.; Steel, Peter J.; Wikaira, Jan","Four-centre hydrogen bonds: a triethanolamine‒triethanolamine oxide complex","Acta Crystallographica Section E","2002","58","8","o851","o852","10.1107/S1600536802012175","","","0.71073","MoKα","","0.097","0.061","","","0.113","0.134","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204397","11.0498","0.0004","11.0498","0.0004","16.0416","0.0011","90","","90","","120","","1696.24","0.15","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C12 H24 Cl2 N6 S3 Zn -","- C12 H24 Cl2 N6 S3 Zn -","- C36 H72 Cl6 N18 S9 Zn3 -","3","0.333333","TK6186","Hai Qing Sun; Wen Tao Yu; Duo Rong Yuan; Xin Qing Wang; Gang, Xue","Tris(allylthiourea-κ<i>S</i>)chlorozinc(II) chloride","Acta Crystallographica Section E","2004","60","10","m1431","m1433","10.1107/S1600536804022512","","","0.71073","MoKα","","0.05","0.037","","","0.086","0.093","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207374","14.528","0.003","14.528","0.003","9.685","0.004","90","","90","","120","","1770.3","0.9","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","Tetracesium strontium catena-nonaselenidotristannate(IV)","","- Cs4 Se9 Sn3 Sr -","- Cs4 Se9 Sn3 Sr -","- Cs12 Se27 Sn9 Sr3 -","3","0.333333","WM6093","Tobias van Almsick; William S. Sheldrick","Tetracaesium strontium <i>catena</i>-nonaselenidotristannate(IV)","Acta Crystallographica Section E","2005","61","11","i225","i227","10.1107/S1600536805031090","","","0.71073","MoKα","","0.0367","0.0363","","","0.1012","0.1015","","","","","","1.148","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208270","17.857","0.0009","17.857","0.0009","18.0528","0.0011","90","","90","","120","","4985.3","0.5","170","2","170","2","","","","","","","","4","R 3 :H","R 3","146","","9α-Fluoro-11β,21-dihydroxy-16α,17α-isopropylidene-dioxy-pregna-1,4-diene-3 ,20-dione methanol solvate","","- C24.67 H33.67 F O6.67 -","- C24.6667 H31.33 F O6.66 -","- C222 H281.97 F9 O59.94 -","9","1","BT6815","Jeß, Inke; Näther, Christian","Triamcinolone acetonide methanol 0.67-solvate at 170 K","Acta Crystallographica Section E","2006","62","3","o960","o962","10.1107/S1600536806004260","","","0.71073","MoKα","","0.0441","0.0369","","","0.0916","0.0953","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2211031","5.1087","0.0008","5.1087","0.0008","13.767","0.002","90","","90","","120","","311.17","0.08","292","3","292","3","","","","","","","","3","R 3 :H","R 3","146","","Trinickel(II) tellurium(VI) hexaoxide","","- Ni3 O6 Te -","- Ni3 O6 Te -","- Ni9 O18 Te3 -","3","0.333333","HB2175","Becker, Richard; Berger, Helmuth","Reinvestigation of Ni~3~TeO~6~","Acta Crystallographica Section E","2006","62","11","i222","i223","10.1107/S1600536806043042","","","0.71073","MoKα","","0.0247","0.0242","","","0.0586","0.0588","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211439","19.849","0.003","19.849","0.003","10.34","0.002","90","","90","","120","","3528","1","294","2","294","2","","","","","","","","4","R 3 :H","R 3","146","","4-4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde","","- C16 H14 Cl2 O3 -","- C16 H14 Cl2 O3 -","- C144 H126 Cl18 O27 -","9","1","HB2214","Zhen, Xiao-Li; Han, Jian-Rong; Wang, Qun-Tao; Tian, Xia; Liu, Shou-Xin","4-(2,4-Dichlorobenzyloxy)-3-ethoxybenzaldehyde","Acta Crystallographica Section E","2006","62","12","o5794","o5795","10.1107/S1600536806049671","","","0.71073","MoKα","","0.0502","0.0294","","","0.0709","0.0833","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213999","24.001","0.003","24.001","0.003","13.441","0.003","90","","90","","120","","6705.3","1.9","298","2","298","2","","","","","","","","3","R 3 :H","R 3","146","","1,5-Di-<i>O</i>-acetyl-2,3,4-tri-<i>O</i>-benzyl-α-<i>D</i>-mannopyranoside","","- C31 H34 O8 -","- C31 H34 O8 -","- C279 H306 O72 -","9","1","XU2242","Zi-Jie Liu; Dong Han; Lin-Na Wang; Xiang-Bao Meng; Zhong-Jun Li","1,5-Di-<i>O</i>-acetyl-2,3,4-tri-<i>O</i>-benzyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section E","2007","63","6","o2975","o2975","10.1107/S1600536807023501","","","0.71073","MoKα","","0.098","0.053","","","0.085","0.089","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215550","16.54","0.004","16.54","0.004","5.9554","0.0012","90","","90","","120","","1411","0.6","298","2","298","2","","","","","","","","5","R 3 :H","R 3","146","Terbium N-acetylglycinate","Tris(N-acetylglycinato-κ^2^O,O')triaquaterbium(III)","","- C12 H24 N3 O12 Tb -","- C12 H24 N3 O12 Tb -","- C36 H72 N9 O36 Tb3 -","3","0.333333","HY2077","Kameshwar, Prashant M.; Wadawale, Amey; Ajgaonkar, Vishnu R.","Tris(<i>N</i>-acetylglycinato-κ^2^<i>O</i>,<i>O</i>')triaquaterbium(III)","Acta Crystallographica Section E","2007","63","10","m2584","m2584","10.1107/S1600536807045618","","","0.71073","MoKα","","0.015","0.015","","","0.0366","0.0366","","","","","","1.007","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215551","16.58","0.004","16.58","0.004","5.978","0.001","90","","90","","120","","1423.2","0.5","298","2","298","2","","","","","","","","5","R 3 :H","R 3","146","Samarium N-acetylglycinate","Tris(N-acetylglycinato-κ^2^O,O')triaquasamarium(III)","","- C12 H24 N3 O12 Sm -","- C12 H24 N3 O12 Sm -","- C36 H72 N9 O36 Sm3 -","3","0.333333","HY2078","Kameshwar, Prashant M.; Wadawale, Amey; Ajgaonkar, Vishnu R.","Tris(<i>N</i>-acetylglycinato-κ^2^<i>O</i>,<i>O</i>')triaquasamarium(III)","Acta Crystallographica Section E","2007","63","10","m2598","m2598","10.1107/S1600536807046429","","","0.71069","MoKα","","0.0203","0.0203","","","0.0514","0.0514","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218160","25.088","0.005","25.088","0.005","17.231","0.005","90","","90","","120","","9392","4","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","Tris[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II)] dodecatungstoferrate dihydrate","","- C108 H76 Fe4 N18 O42 W12 -","- C108 H72 Fe4 N18 O41.98 W12 -","- C324 H216 Fe12 N54 O125.94 W36 -","3","0.333333","HY2126","Ma, Feng-Xia; Chen, Ya-Guang; Shi, Dong-Mei","Tris[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II)] dodecatungstoferrate dihydrate","Acta Crystallographica Section E","2008","64","5","m672","","10.1107/S1600536808009896","","","0.71073","MoKα","","0.0427","0.0354","","","0.0892","0.0933","","","","","","1.035","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220799","16.7985","0.0002","16.7985","","11.6875","0.0002","90","","90","","120","","2856.23","0.06","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","tribenzylchloridotin(IV)","","- C21 H21 Cl Sn -","- C21 H21 Cl Sn -","- C126 H126 Cl6 Sn6 -","6","0.666667","HB2901","Ng, Seik Weng","Low-temperature redetermination of tribenzylchloridotin(IV)","Acta Crystallographica Section E","2009","65","2","m238","","10.1107/S160053680900289X","","","0.71073","MoKα","","0.03","0.0263","","","0.0693","0.0743","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222312","12.8227","0.0008","12.8227","0.0008","19.327","0.003","90","","90","","120","","2752","0.5","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","[Tris(3,5-diphenylpyrazolyl)hydroborato]nickel(II) bromide","","- C45 H34 B Br N6 Ni -","- C45 H34 B Br N6 Ni -","- C135 H102 B3 Br3 N18 Ni3 -","3","0.333333","HB2976","Harding, David J.; Harding, Phimphaka; Adams, Harry","[Tris(3,5-diphenylpyrazolyl)hydroborato]nickel(II) bromide","Acta Crystallographica Section E","2009","65","7","m773","","10.1107/S1600536809021606","","","0.71073","MoKα","","0.0306","0.0278","","","0.0617","0.0629","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225315","16.8793","0.0002","16.8793","0.0002","15.1043","0.0003","90","","90","","120","","3726.83","0.1","150","","150","","","","","","","","","4","R 3 :H","R 3","146","","2-Azido-3,4;6,7-di-<i>O</i>-isopropylidene-α-D-<i>glycero</i>- D-<i>talo</i>-heptopyranose","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C117 H189 N27 O54 -","9","1","LH2989","Jenkinson, Sarah F.; Lenagh-Snow, Gabriel M. J.; Izumori, Ken; Fleet, George W. J.; Watkin, David J.; Thompson, Amber L.","2-Azido-3,4;6,7-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>talo</i>-heptopyranose","Acta Crystallographica Section E","2010","66","3","o525","o526","10.1107/S1600536810003995","","","0.71073","MoKα","","0.0293","0.0266","","0.0698","0.0655","0.0698","","","","","","0.8668","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2227936","19.5608","0.0019","19.5608","0.0019","4.0967","0.0005","90","","90","","120","","1357.5","0.2","295","2","295","2","","","","","","","","4","R 3 :H","R 3","146","bismuth tribenzoate","Tribenzoatobismuth(III)","","- C21 H15 Bi O6 -","- C21 H15 Bi O6 -","- C63 H45 Bi3 O18 -","3","0.333333","RK2224","Tumanov, Nikolay A.; Timakova, Evgenia V.; Boldyreva, Elena V.","Tribenzoatobismuth(III): a new polymorph","Acta Crystallographica Section E","2010","66","10","m1248","","10.1107/S1600536810035543","","","0.71073","MoKα","","0.0556","0.0419","","","0.0465","0.049","","","","","","0.756","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229317","27.95","0.002","27.95","0.002","5.8035","0.0005","90","","90","","120","","3926.3","0.5","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin- 3-yl]methanol 2.33-hydrate","","- C18 H25.67 N O5.33 -","- C18 H25.6667 N O5.33333 -","- C162 H231 N9 O48 -","9","1","BG2388","Chakka, Sai Kumar; McKay, Michael G.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol 2.33-hydrate","Acta Crystallographica Section E","2011","67","3","o700","","10.1107/S1600536811006052","","","0.71073","MoKα","","0.0663","0.0561","","","0.1541","0.1623","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229407","12.0638","0.0007","12.0638","0.0007","17.6907","0.0013","90","","90","","120","","2229.7","0.2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","Tris(4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')iron(II) tetrabromidoferrate(III) bromide","","- C18 H12 Br5 Fe2 N6 S6 -","- C18 H12 Br5 Fe2 N6 S6 -","- C54 H36 Br15 Fe6 N18 S18 -","3","0.333333","HY2404","Abedi, Anita; Amani, Vahid; Safari, Nasser","Tris(4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')iron(II) tetrabromidoferrate(III) bromide","Acta Crystallographica Section E","2011","67","3","m311","m312","10.1107/S1600536811004181","","","0.71073","MoKα","","0.0373","0.0364","","","0.0846","0.085","","","","","","1.011","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230124","11.3591","0.0002","11.3591","0.0002","14.5172","0.0004","90","","90","","120","","1622.19","0.06","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide","","- C12 H24 Br2 N6 S3 Zn -","- C12 H24 Br2 N6 S3 Zn -","- C36 H72 Br6 N18 S9 Zn3 -","3","0.333333","RN2081","Sun, Hai-Qing; Wang, Xin-Qiang; Jin, Tao","Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide","Acta Crystallographica Section E","2011","67","5","m543","","10.1107/S1600536811011809","","","0.71073","MoKα","","0.02","0.0189","","","0.0441","0.0445","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232871","13.9131","0.0004","13.9131","0.0004","24.6789","0.0007","90","","90","","120","","4137.2","0.2","132","2","132","2","","","","","","","","5","R 3 :H","R 3","146","","Tris(tetrahydrofuran-κ<i>O</i>)tris[tris(thiophen-2-yl)methanolato- κ<i>O</i>]terbium(III) tetrahydrofuran monosolvate","","- C55 H59 O7 S9 Tb -","- C54.99 H58.92 O7 S9 Tb -","- C164.97 H176.76 O21 S27 Tb3 -","3","0.333333","NC2251","Veith, Michael; Belot, Celine; Huch, Volker","Tris(tetrahydrofuran-κ<i>O</i>)tris[tris(thiophen-2-yl)methanolato-κ<i>O</i>]terbium(III) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2011","67","12","m1712","","10.1107/S160053681104623X","","","0.71073","MoKα","","0.0351","0.035","","","0.085","0.0852","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236919","38.6774","0.0005","38.6774","0.0005","12.3956","0.0002","90","","90","","120","","16058.8","0.4","180","0.1","180","0.1","","","","","","","","7","R 3 :H","R 3","146","","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III)","","- C57 H45 N3 O3 P3 S3 Tb -","- C57 H45 N3 O3 P3 S3 Tb -","- C684 H540 N36 O36 P36 S36 Tb12 -","12","1.33333","HY2605","Pham, Lam N.; Thames, Anthony T.; White, Frankie D.; Xiang, Kang Rui; Sykora, Richard E.","Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)terbium(III)","Acta Crystallographica Section E","2012","68","12","m1531","","10.1107/S1600536812047289","","","0.71073","MoKα","","0.0338","0.0258","","","0.0517","0.0556","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2240921","9.685","","9.685","","9.685","","90","","90","","120","","786.737","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Cs4 Sr Sn3 Se9","","- Cs4 Se9 Sn3 Sr -","- Cs4 Se9 Sn3 Sr -","- Cs12 Se27 Sn9 Sr3 -","3","0.333333","","Van Almsick, T.; Sheldrick, W. S.","Tetracesium strontium catena-nona-selenidotristannate(IV)","Acta Crystallographica Section E","2005","61","11","i225","i227","10.1107/S1600536805031090","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2241111","14.6418","0.0004","14.6418","0.0004","31.7767","0.0019","90","","90","","120","","5899.7","0.4","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","Dodecakis(μ~2~-alaninato-1:2κ^2^<i>O</i>:<i>N</i>,<i>O</i>)cerium(III)hexanickel(II) aquatris(hydroxido-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerate(III)","","- C36 H77 Ce2 N15 Ni6 O37 -","- C36 H76.9998 Ce2 N15 Ni6 O37 -","- C108 H230.999 Ce6 N45 Ni18 O111 -","3","0.333333","WM5213","Bezzubov, Stanislav I.; Doljenko, Vladimir D.; Churakov, Andrei V.; Zharinova, Irina S.; Kiselev, Yuri M.","Crystal structure of an unknown solvate of dodecakis(μ~2~-alaninato-1:2κ^2^<i>O</i>:<i>N</i>,<i>O</i>)cerium(III)hexanickel(II) aquatris(hydroxido-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerate(III)","Acta Crystallographica Section E","2015","71","10","m183","m184","10.1107/S2056989015017132","","","0.71073","MoKα","","0.0259","0.0247","","","0.0646","0.0655","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2310679","5.49","","5.49","","42.5","","90","","90","","120","","1109.34","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe24 O54 Si6 -","6","0.666667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311998","27.194","0.003","27.194","0.003","7.6221","0.0008","90","","90","","120","","4881.5","0.9","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","<i>catena</i>-Poly[tris{μ~2~-3-carboxy-2,3-bis[(4-methylphenyl)carbonyloxy]propanoato}tris(methanol)europium(III)]","","- C63 H63 Eu O27 -","- C63 H63 Eu O27 -","- C189 H189 Eu3 O81 -","3","0.333333","FN3316","Han, Mei Rong; Li, Shao Dong; Ma, Ling; Yao, Bang; Feng, Si Si; Zhu, Miao Li","Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1220","1227","10.1107/S205322961901060X","","","0.71073","MoKα","","0.0489","0.0397","","","0.0708","0.0746","","","","","","1.056","","","","has coordinates","246239","2020-10-21","18:00:00",""
"4000730","30.319","0.002","30.319","0.002","10.119","0.001","90","","90","","120","","8055.6","1.1","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C90 H60 Ag6 F18 N24 O24 S6 -","- C90 H60 Ag6 F18 N24 O24 S6 -","- C270 H180 Ag18 F54 N72 O72 S18 -","3","0.333333","","Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods","Chemistry of Materials","2011","23","6","1505","","10.1021/cm103182e","","","0.71073","MoKα","","0.051","0.0382","","","0.0786","0.0926","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001680","13.8639","0.0005","13.8639","0.0005","9.3974","0.0006","90","","90","","120","","1564.26","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 S12 -","- Cd3.9999 Cs Ga5.01 S12 -","- Cd11.9997 Cs3 Ga15.03 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0227","0.0217","","","0.0438","0.0441","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001681","13.8071","0.0006","13.8071","0.0006","9.3492","0.0007","90","","90","","120","","1543.51","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb S12 -","- Cd4.0005 Ga4.98 Rb S12 -","- Cd12.0015 Ga14.94 Rb3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0233","0.0233","","","0.0539","0.0539","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001682","13.7905","0.0005","13.7905","0.0005","9.3304","0.0006","90","","90","","120","","1536.71","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 K S12 -","- Cd3.999 Ga4.98 K S12 -","- Cd11.997 Ga14.94 K3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0246","0.0242","","","0.0577","0.0578","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001994","20.399","0.0018","20.399","0.0018","24.969","0.002","90","","90","","120","","8998.1","1.3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C96 H118 Cl5 Cu3 N25 O43 P6 -","- C96 H90 Cl5 Cu3 N25 O42.9998 P6 -","- C288 H270 Cl15 Cu9 N75 O128.999 P18 -","3","0.333333","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.1007","0.0607","","","0.1339","0.1543","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001997","20.565","0.002","20.565","0.002","50.106","0.004","90","","90","","120","","18352","3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C65 H78 Cl4 Cu2 N16 O28 P4 -","- C65 H64 Cl4 Cu2 N16 O28 P4 -","- C585 H576 Cl36 Cu18 N144 O252 P36 -","9","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.0641","0.0594","","","0.1611","0.1673","","","","","","1.026","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002256","6.02","","6.02","","14.726","","90","","90","","120","","462.177","","","","","","","","","","","","","3","R 3 :H","R 3","146","","(Li0.275 Ni0.725) O","","- Li0.275 Ni0.725 O -","- Li0.275 Ni0.725 O -","- Li6.6 Ni17.4 O24 -","24","2.66667","","Monge, M.A.; Gutierrez-Puebla, E.; Martinez, J.L.; Campa, J.A.; Rasines, I.","Cation distribution in lithium nickel oxide crystals","Chemistry of Materials (1,1989-)","2000","12","","2001","2007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002706","10.518","0.0008","10.518","0.0008","9.5385","0.0012","90","","90","","120","","913.85","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs Ga Se6 Sn2 -","- Cs Ga0.99 Se6 Sn2.01 -","- Cs3 Ga2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.016","0.0153","","","0.0297","0.0298","","","","","","0.961","","","","has coordinates,has disorder","191235","2020-10-21","18:00:00",""
"4002707","10.652","0.0005","10.652","0.0005","9.6882","0.0008","90","","90","","120","","952","0.1","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs In Se6 Sn2 -","- Cs In0.99 Se6 Sn2.01 -","- Cs3 In2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.0193","0.0184","","","0.0335","0.0336","","","","","","1.013","","","","has coordinates","191235","2020-10-21","18:00:00",""
"4002826","9.7723","0.0004","9.7723","0.0004","27.006","0.002","90","","90","","120","","2233.5","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba6 Ga2 S16 Zn7 -","- Ba6 Ga2 S16 Zn6.99 -","- Ba18 Ga6 S48 Zn20.97 -","3","0.333333","","Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming","Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties","Chemistry of Materials","2017","29","12","5259","","10.1021/acs.chemmater.7b01321","","","0.71073","MoKα","","0.0253","0.0231","","","0.0424","0.0446","","","","","","0.968","","","","has coordinates","198355","2020-10-21","18:00:00",""
"4002844","14.3203","0.0005","14.3203","0.0005","9.7057","0.0004","90","","90","","120","","1723.7","0.11","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga5 Hg4 K Se12 -","- Ga5.001 Hg3.999 K Se12 -","- Ga15.003 Hg11.997 K3 Se36 -","3","0.333333","","Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response","Chemistry of Materials","2017","29","18","7993","","10.1021/acs.chemmater.7b03143","","","0.71073","MoKα","","0.0463","0.0434","","","0.087","0.0905","","","","","","1.026","","","","has coordinates","201748","2020-10-21","18:00:00",""
"4020076","24.32","0.08","24.32","0.08","55.8","0.3","90","","90","","120","","28606","207","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C73 H80 Cl2 N2 O P2 Ru -","- C73 H72 Cl2 N2 O P2 Ru -","- C1314 H1296 Cl36 N36 O18 P36 Ru18 -","18","2","","Helen L. Ngo; Wenbin Lin","","Journal of Organic Chemistry","2005","70","","1177","1187","10.1021/jo048333s","","","0.71073","MoKα","","0.0932","0.0656","","","0.1416","0.1542","","","","","","1.086","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4022248","20.698","0.0005","20.698","0.0005","11.1777","0.0003","90","","90","","120","","4147.1","0.2","159.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H26 N O3 S -","- C17 H27 N O3 S -","- C153 H243 N9 O27 S9 -","9","1","","Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2002","67","","7819","7832","10.1021/jo025957u","","","0.7107","MoKα","","","0","","","","0.0436","","","","","","1.62","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023258","18.518","0.001","18.518","0.001","13.44","0.001","90","","90","","120","","3991.3","0.4","100","2","100","2","","","","","","","synthesis as described","4","R 3 :H","R 3","146","","","","- C36 H63 N15 O9 -","- C36 H63 N15 O9 -","- C108 H189 N45 O27 -","3","0.333333","","Philippe Le Grel; Arnaud Salaün; Clémence Mocquet; Barbara Le Grel; Thierry Roisnel; Michel Potel","Postsynthetic Modification of C~3~-Symmetric Aza-β^3^-Cyclohexapeptides","Journal of Organic Chemistry","2008","73","","1306","1310","10.1021/jo7021394","","x-ray","0.71069","MoKα","","0.0431","0.0414","","","0.1307","0.1322","","","","","","1.094","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023275","21.2273","0.0003","21.2273","0.0003","11.3541","0.0002","90","","90","","120","","4430.7","0.12","150","2","150","2","","","","","","","synthesis as described","5","R 3 :H","R 3","146","Zweier 1546","","","- C46 H51 Cl6 O6 S12 -","- C46 H51 Cl6 O6 S12 -","- C138 H153 Cl18 O18 S36 -","3","0.333333","","Yangping Liu; Frederick A. Villamena; Jian Sun; Yingkai Xu; Ilirian Dhimitruka; Jay L. Zweier","Synthesis and Characterization of Ester-Derivatized Tetrathiatriarylmethyl Radicals as Intracellular Oxygen Probes","Journal of Organic Chemistry","2008","73","","1490","1497","10.1021/jo7022747","","x-ray","0.71073","MoKα","","0.0521","0.0442","","","0.1135","0.1189","","","","","","1.039","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4024044","27.9054","0.0014","27.9054","0.0014","9.5055","0.0005","90","","90","","120","","6410.4","0.6","295","2","295","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C28 H30 O11 S -","- C28 H30 O11 S -","- C252 H270 O99 S9 -","9","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0481","0.0415","","","0.1009","0.1157","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024616","44.8052","0.0013","44.8052","0.0013","8.8254","0.0004","90","","90","","120","","15343.4","0.9","223","2","223","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C31 H42 I N3 O5 -","- C31 H42 I N3 O5 -","- C558 H756 I18 N54 O90 -","18","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0714","0.0442","","","0.1078","0.1238","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026557","14.2352","0.0009","14.2352","0.0009","15.1711","0.0009","90","","90","","120","","2662.4","0.3","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C33 H39 N9 O9 -","- C33 H39 N9 O9 -","- C99 H117 N27 O27 -","3","0.333333","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","","","","","","","","","","","","","","","","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026863","30.4865","0.0006","30.4865","0.0006","12.0383","0.0004","90","","90","","120","","9689.7","0.4","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C41 H51.17 N5 O14.33 P2.5 -","- C41 H41 N5 O14.3333 P2.5 -","- C369 H369 N45 O129 P22.5 -","9","1","","Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar","Fluorescent Acridine-Based Receptors for H2PO4-","Journal of Organic Chemistry","2012","77","","490","500","10.1021/jo202077v","","","0.71073","MoKα","","0.1238","0.0868","","","0.2318","0.2622","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030119","25.9883","0.0007","25.9883","0.0007","5.81758","0.00017","90","","90","","120","","3402.74","0.16","150","","150","","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C135 H171 N9 O36 -","9","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.54184","CuKα","","0.0987","0.0899","","0.1243","0.1013","0.097","","","","","","1.1027","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4035592","30.9223","0.0003","30.9223","0.0003","8.3338","0.0001","90","","90","","120","","6901.08","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","R 3 :H","R 3","146","","cleistoperlone B","","- C109 H103 Cl3 O24 -","- C109 H103 Cl3 O24 -","- C327 H309 Cl9 O72 -","3","0.333333","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0255","0.0255","","","0.0714","0.0714","","","","","","1.037","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4037249","26.426","0.012","26.426","0.012","7.039","0.004","90","","90","","120","","4257","4","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C20 H23 N O2 Si -","- C20 H23 N O2 Si -","- C180 H207 N9 O18 Si9 -","9","1","","Huang, Jing-Kai; Wong, Ying-Chieh; Kao, Tzu-Ting; Tseng, Chen-Tso; Shia, Kak-Shan","Cobalt(II)-Catalyzed Aerobic Oxidation of Terminal-Capped Alkynyl α-Cyano Alkanone Systems. An Oxygen-Mediated Radical Chain Reaction.","The Journal of organic chemistry","2016","81","22","10759","10768","10.1021/acs.joc.6b01837","","","0.71073","MoKα","","0.2455","0.0744","","","0.0799","0.1087","","","","","","0.968","","","","has coordinates","235862","2020-10-21","18:00:00",""
"4037469","20.8688","0.0006","20.8688","0.0006","12.2249","0.0004","90","","90","","120","","4610.7","0.2","290","2","290","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C171 H135 Br9 N18 O27 -","9","1","","Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin","Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams.","The Journal of organic chemistry","2017","82","7","3908","3916","10.1021/acs.joc.6b03090","","","1.54184","CuKα","","0.0266","0.0264","","","0.071","0.0713","","","","","","1.048","","","","has coordinates","236203","2020-10-21","18:00:00",""
"4037899","11.2613","0.0002","11.2613","0.0002","24.166","0.0009","90","","90","","120","","2654.07","0.12","200","2","200","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Cl3 D I3 O3 -","- C33 H32.9997 Cl3 D I3 O3 -","- C99 H98.9991 Cl9 D3 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","1.54178","CuKα","","0.0644","0.0587","","","0.1411","0.1463","","","","","","1.094","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4037902","11.2774","0.0005","11.2774","0.0005","24.1597","0.0016","90","","90","","120","","2661","0.2","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H34 Cl3 I3 O3 -","- C33 H33.9997 Cl3 I3 O3 -","- C99 H101.999 Cl9 I9 O9 -","3","0.333333","","Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael","Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03410","","","0.71073","MoKα","","0.0242","0.0224","","","0.0463","0.0472","","","","","","1.069","","","","has coordinates,has disorder","248009","2020-10-21","18:00:00",""
"4065620","19.546","0.003","19.546","0.003","8.9796","0.0018","90","","90","","120","","2971","0.9","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C36 H75 Li3 N6 -","- C36 H75 Li3 N6 -","- C108 H225 Li9 N18 -","3","0.333333","","Gessner, Viktoria H.; Strohmann, Carsten","Lithiation of Diamine Ligands to Chiral Building Blocks: Syntheses, Selectivities, and Lithiated Intermediates","Organometallics","2010","29","7","1858","","10.1021/om100035g","","","0.71073","MoKα","","0.0914","0.0718","","","0.1763","0.1904","","","","","","1.057","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4066268","14.591","0.002","14.591","0.002","10.863","0.002","90","","90","","120","","2002.9","0.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Ge4 Si -","- C18 H48 Ge4 Si -","- C54 H144 Ge12 Si3 -","3","0.333333","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph","Polygermane Building Blocks†","Organometallics","2010","29","21","5289","","10.1021/om100377n","","","0.71073","MoKα","","0.023","0.0224","","","0.0484","0.0486","","","","","","0.887","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066277","21.3969","0.0004","21.3969","0.0004","12.3807","0.0007","90","","90","","120","","4908.8","0.3","153","2","153","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C22 H57 Li4 N9 -","- C22 H57 Li4 N9 -","- C132 H342 Li24 N54 -","6","0.666667","","Kamps, Ina; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","A Chain Aggregate of Methyllithium Tetramers†","Organometallics","2010","29","21","4746","","10.1021/om1003804","","","1.54178","CuKα","","0.0537","0.0446","","","0.1111","0.1165","","","","","","0.93","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4070991","17.8268","0.0001","17.8268","0.0001","20.7329","0.0002","90","","90","","120","","5706.07","0.07","100","2","100","2","","","","","","","synthesized","6","R 3 :H","R 3","146","","","","- C57 H129 Ca3 N3 O9 Si6 -","- C57 H129 Ca3 N3 O9 Si6 -","- C171 H387 Ca9 N9 O27 Si18 -","3","0.333333","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0345","0.0295","","","0.0686","0.0712","","","","","","1.042","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4071837","14.2437","0.0004","14.2437","0.0004","17.8872","0.0005","90","","90","","120","","3142.81","0.15","200","","200","","","","","","","","?","7","R 3 :H","R 3","146","","","","- C14 H16 B N7 O3 S3 W -","- C14.0001 H16 B N6.9999 O3 S3 W -","- C84.0006 H96 B6 N41.9994 O18 S18 W6 -","6","0.666667","","Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D.","Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten","Organometallics","2008","27","17","4455","","10.1021/om800416j","","","0.71073","MoKα","","","0.0224","","","","0.02","","","","","","1.0622","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074872","21.6188","0.0005","21.6188","0.0005","54.139","0.003","90","","90","","120","","21913.1","1.4","223","2","223","2","","","","","","","","10","R 3 :H","R 3","146","","","","- C50 H47 B Cl F4 N O P2 Pt Se -","- C50 H47 B Cl F4 N O P2 Pt Se -","- C900 H846 B18 Cl18 F72 N18 O18 P36 Pt18 Se18 -","18","2","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0417","0.0345","","","0.0757","0.0785","","","","","","1.005","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4076210","14.617","0.002","14.617","0.002","11.024","0.002","90","","90","","120","","2039.8","0.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Si4 Sn -","- C18 H48 Si4 Sn -","- C54 H144 Si12 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0168","0.0161","","","0.037","0.0371","","","","","","1.044","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076212","14.714","0.002","14.714","0.002","10.906","0.002","90","","90","","120","","2044.8","0.5","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Ge Si4 -","- C18 H48 Ge Si4 -","- C54 H144 Ge3 Si12 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0371","0.0343","","","0.0766","0.0778","","","","","","1.023","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076217","14.663","0.004","14.663","0.004","10.99","0.007","90","","90","","120","","2046.3","1.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Si4 Sn -","- C18 H48 Si4 Sn -","- C54 H144 Si12 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.05","0.049","","","0.1105","0.1108","","","","","","1.05","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076218","14.701","0.002","14.701","0.002","11.021","0.002","90","","90","","120","","2062.7","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H48 Ge Si3 Sn -","- C18 H48 Ge Si3 Sn -","- C54 H144 Ge3 Si9 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0154","0.0152","","","0.0367","0.0368","","","","","","0.893","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076219","16.257","0.002","16.257","0.002","11.58","0.002","90","","90","","120","","2650.5","0.6","233","2","233","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H54 Ge Si6 Sn -","- C18 H54 Ge Si6 Sn -","- C54 H162 Ge3 Si18 Sn3 -","3","0.333333","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0342","0.0265","","","0.0558","0.0576","","","","","","1.013","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4077020","20.776","0.003","20.776","0.003","13.728","0.002","90","","90","","120","","5131.7","1.3","143","2","143","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C8 H19 Cl Cu N2 O2 -","- C8 H19 Cl Cu N2 O2 -","- C144 H342 Cl18 Cu18 N36 O36 -","18","2","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.028","0.0251","","0.053","0.052","","","","1.039","1.046","1.046","","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4079035","12.125","0.0009","12.125","0.0009","29.3362","0.0017","90","","90","","120","","3735.1","0.4","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C30 H50 Br11 Cu8 N3 O -","- C30 H49.98 Br11 Cu8 N3 O -","- C90 H149.94 Br33 Cu24 N9 O3 -","3","0.333333","","Ye, Qiong; Liu, Ming-Liang; Chen, Zi-Qi; Sun, Su-Wen; Xiong, Ren-Gen","Solvothermal Syntheses and Physical Properties of Noncentrosymmetric Olefin‒Copper(I) Coordination Compounds","Organometallics","2012","31","22","7862","","10.1021/om300343j","","","0.71073","MoKα","","0.0618","0.0506","","","0.1172","0.1243","","","","","","1.012","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079096","37.5195","0.0006","37.5195","0.0006","13.494","0.0002","90","","90","","120","","16450.7","0.4","160","1","160","1","","","","","","","","6","R 3 :H","R 3","146","","","","- C76 H60 N2 Ni O6 P2 -","- C68 H44 N2 Ni O4 P2 -","- C612 H396 N18 Ni9 O36 P18 -","9","1","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.0387","0.0359","","","0.1045","0.1059","","","","","","1.065","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079561","39.0863","0.0006","39.0863","0.0006","8.5612","0.0001","90","","90","","120","","11327","0.3","133","","133","","","","","","","","","6","R 3 :H","R 3","146","","","","- C26 H17 Fe2 N O5 S -","- C26 H17 Fe2 N O5 S -","- C468 H306 Fe36 N18 O90 S18 -","18","2","","Hirotsu, Masakazu; Santo, Kiyokazu; Hashimoto, Hideki; Kinoshita, Isamu","Carbon- and Sulfur-Bridged Diiron Carbonyl Complexes Containing N,C,S-Tridentate Ligands Derived from Functionalized Dibenzothiophenes: Mimics of the [FeFe]-Hydrogenase Active Site","Organometallics","2012","31","21","7548","","10.1021/om300826y","","","0.7107","MoKα","","0.0429","0.0414","","","0.1434","0.1452","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085634","32.2621","0.001","32.2621","0.001","12.7055","0.0008","90","","90","","120","","11452.7","0.9","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C29 H27 Cl F N3 O -","- C29 H27 Cl F N3 O -","- C522 H486 Cl18 F18 N54 O18 -","18","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0942","0.0697","","","0.1875","0.2031","","","","","","1.071","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085638","32.156","0.003","32.156","0.003","17.2446","0.0016","90","","90","","120","","15442","2","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H43 Ag Cl N3 -","- C38 H43 Ag Cl N3 -","- C684 H774 Ag18 Cl18 N54 -","18","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0555","0.0439","","","0.1135","0.1201","","","","","","1.056","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085640","32.367","0.003","32.367","0.003","17.135","0.003","90","","90","","120","","15546","3","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H43 Au Cl N3 -","- C38 H43 Au Cl N3 -","- C684 H774 Au18 Cl18 N54 -","18","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0503","0.0294","","","0.0427","0.0445","","","","","","1.023","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085938","27.826","0.003","27.826","0.003","13.4682","0.0014","90","","90","","120","","9031.1","1.7","143","2","143","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C34 H58 Fe N4 -","- C34 H58 Fe N4 -","- C306 H522 Fe9 N36 -","9","1","","Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang","High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study","Organometallics","2015","34","12","2775","","10.1021/acs.organomet.5b00028","","","0.71073","MoKα","","0.0799","0.0563","","","0.1294","0.1386","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4087862","19.364","0.005","19.364","0.005","19.277","0.005","90","0.005","90","0.005","120","0.005","6260","3","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C60 H54 Au3 N3 O40 P4 W12 -","- C60 H54 Au3 N3 O40 P4 W12 -","- C180 H162 Au9 N9 O120 P12 W36 -","3","0.333333","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","","0.71073","MoKα","","0.0236","0.0215","","","0.0416","0.0421","","","","","","1.025","","","","has coordinates","237059","2020-10-21","18:00:00",""
"4087863","19.2972","0.0009","19.2972","0.0009","19.2127","0.0005","90","","90","","120","","6195.9","0.4","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C60 H54 Au3 Mo12 N3 O40 P4 -","- C60 H54 Au3 Mo12 N3 O40 P4 -","- C180 H162 Au9 Mo36 N9 O120 P12 -","3","0.333333","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","","0.71073","MoKα","","0.0554","0.04","","","0.0923","0.1231","","","","","","1.123","","","","has coordinates","237060","2020-10-21","18:00:00",""
"4088789","25.7286","0.0005","25.7286","0.0005","8.9644","0.0002","90","","90","","120","","5139.07","0.18","123","2","123","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C72 H90 Li12 N6 -","- C72 H90 Li12 N6 -","- C216 H270 Li36 N18 -","3","0.333333","","Flynn, Matthew T.; Stott, Rachel; Blair, Victoria L.; Andrews, Philip C.","Loss of Chirality through Facile Lewis Base Mediated Aza-enolate Formation in Na and K (S)-N-(α-Methylbenzyl)methallylamides","Organometallics","2016","35","16","2707","","10.1021/acs.organomet.6b00445","","","1.54184","CuKα","","0.0314","0.0305","","","0.0812","0.0821","","","","","","1.055","","","","has coordinates","237832","2020-10-21","18:00:00",""
"4101687","16.964","0.002","16.964","0.002","9.963","0.002","90","","90","","120","","2483","0.6","150","1","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H38 B F12 P -","- C36 H38 B F12 P -","- C108 H114 B3 F36 P3 -","3","0.333333","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Reversible, metal-free, heterolytic activation of H2 at room temperature.","Journal of the American Chemical Society","2009","131","1","52","53","10.1021/ja808506t","","","0.71073","MoKα","","0.0429","0.0359","","","0.0802","0.0855","","","","","","1.018","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4102169","26.847","0.004","26.847","0.004","33.221","0.007","90","","90","","120","","20736","6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H222 Cl4 Mn25 N15 O112 -","- C168 H222 Cl4 Mn25 N15 O112 -","- C504 H666 Cl12 Mn75 N45 O336 -","3","0.333333","","Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu","Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties","Journal of the American Chemical Society","2010","132","","4044","4045","10.1021/ja910310p","","","0.71073","MoKα","","0.08","0.0743","","","0.2139","0.2206","","","","","","1.101","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102170","26.933","0.004","26.933","0.004","33.251","0.007","90","","90","","120","","20888","6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H222 Cl4 Mn25 N15 O112 -","- C168 H222 Cl4 Mn25 N15 O112 -","- C504 H666 Cl12 Mn75 N45 O336 -","3","0.333333","","Cai-Ming Liu; Ren-Gen Xiong; De-Qing Zhang; Dao-Ben Zhu","Nanoscale Homochiral C3-Symmetric Mixed-Valence Manganese Cluster Complexes with Both Ferromagnetic and Ferroelectric Properties","Journal of the American Chemical Society","2010","132","","4044","4045","10.1021/ja910310p","","","0.71073","MoKα","","0.0672","0.0654","","","0.1816","0.1844","","","","","","1.085","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4103410","29.585","0.0005","29.585","0.0005","72.4624","0.0011","90","","90","","120","","54927.1","1.6","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C180 Cl6 Mn6 N12 O38 Zn8 -","- C180 Cl6 Mn6 N12 O38 Zn8 -","- C540 Cl18 Mn18 N36 O114 Zn24 -","3","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.1257","0.0969","","","0.2318","0.2457","","","","","","1.061","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103412","35.884","0.0003","35.884","0.0003","87.911","0.002","90","","90","","120","","98034","3","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C612 Cl18 Mn18 N36 O114 Zn24 -","3","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2022","0.1201","","","0.2983","0.3473","","","","","","0.837","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103413","41.9263","0.0008","41.9263","0.0008","100.286","0.004","90","","90","","120","","152667","7","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C252 Cl6 Mn6 N12 O38 Zn8 -","- C252 Cl6 Mn6 N12 O38 Zn8 -","- C2268 Cl54 Mn54 N108 O342 Zn72 -","9","1","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2239","0.1659","","","0.3668","0.3937","","","","","","1.19","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4104069","23.9458","0.0003","23.9458","0.0003","10.7465","0.0002","90","","90","","120","","5336.5","0.14","100","","100","","","","","","","","dichloromethane/pentane","4","R 3 :H","R 3","146","","anti-tris[(R)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite","","- C93 H81 O9 P -","- C93 H81 O9 P0.99 -","- C279 H243 O27 P2.97 -","3","0.333333","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","1.54178","CuKα","","0.0304","0.0302","","","0.0805","0.0806","","","","","","1.06","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104070","23.8503","0.0006","23.8503","0.0006","10.7465","0.0003","90","","90","","120","","5294","0.2","100","","100","","","","","","","","dichloromethane/ethylacetate/hexane","4","R 3 :H","R 3","146","","anti-tris[(S)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite","","- C93 H81 O9 P -","- C93 H81 O9 P0.99 -","- C279 H243 O27 P2.97 -","3","0.333333","","Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott","Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","4136","4142","10.1021/ja809297a","","","0.71073","MoKα","","0.0531","0.0502","","","0.1368","0.1401","","","","","","1.051","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4105112","25.421","0.0017","25.421","","6.6885","0.0005","90","","90","","120","","3743.2","0.4","100","2","100","2","","","","","","","synthesis as described","4","R 3 :H","R 3","146","","","","- C46 H67 N11 O6 -","- C45.99 H66.99 N11.01 O6 -","- C137.97 H200.97 N33.03 O18 -","3","0.333333","","Clémence Mocquet; Arnaud Salaün; Paul Claudon; Barbara Le Grel; Michel Potel; Gilles Guichard; Brigitte Jamart-Grégoire; Philippe Le Grel","Aza-β3-cyclopeptides: A New Way of Controlling Nitrogen Chirality","Journal of the American Chemical Society","2009","131","","14521","14525","10.1021/ja9058074","","x-ray","0.71073","MoKα","","0.0454","0.0427","","","0.0957","0.0973","","","","","","1.069","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105593","15.5209","0.0006","15.5209","0.0006","39.8268","0.0018","90","","90","","120","","8308.8","0.6","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C81 H116 B6 F24 N18 O22 Pd3 -","- C81 H115.99 B6 F24 N18 O22 Pd3 -","- C243 H347.97 B18 F72 N54 O66 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0625","0.0505","","","0.1333","0.1466","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105594","15.5257","0.0001","15.5257","0.0001","40.6727","0.0007","90","","90","","120","","8490.55","0.17","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H116 Cl6 N18 O47 Pd3 -","- C81 H115.99 Cl6 N18 O47 Pd3 -","- C243 H347.97 Cl18 N54 O141 Pd9 -","3","0.333333","","Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung","Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes","Journal of the American Chemical Society","2011","133","","1236","1239","10.1021/ja1093925","","","0.71073","MoKα","","0.0706","0.0321","","","0.0605","0.0654","","","","","","0.732","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105637","25.205","0.008","25.205","0.008","5.987","0.003","90","","90","","120","","3294","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H14.67 F N O3.33 -","- C17 H14 F N O3.33333 -","- C153 H126 F9 N9 O30 -","9","1","","Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon","A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction","Journal of the American Chemical Society","2011","133","","1710","1713","10.1021/ja110534g","","","0.71073","MoKα","","0.0625","0.0498","","","0.0937","0.0986","","","","","","1.072","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105819","17.9012","0.0007","17.9012","0.0007","13.0887","0.001","90","","90","","120","","3632.4","0.3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C49 H78 Fe Na O4 P3 Si -","- C49 H78 Fe Na O4 P3 Si -","- C147 H234 Fe3 Na3 O12 P9 Si3 -","3","0.333333","","Yunho Lee; Jonas C. Peters","Silylation of Iron-Bound Carbon Monoxide Affords a Terminal Fe Carbyne","Journal of the American Chemical Society","2011","133","","4438","4446","10.1021/ja109678y","","","0.71073","MoKα","","0.0295","0.0272","","","0.0635","0.0649","","","","","","1.033","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4106951","29.29","0.006","29.29","0.006","21.799","0.007","90","","90","","120","","16196","7","90","2","90","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C120 H97 N12 O0.5 -","- C120 H96 N12 O0.5 -","- C720 H576 N72 O3 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.1363","0.0649","","","0.1453","0.1808","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106952","29.494","0.005","29.494","0.005","11.036","0.003","90","","90","","120","","8314","3","298","2","298","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N12 -","- C120 H96 N12 -","- C360 H288 N36 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.0867","0.0421","","","0.0807","0.0947","","","","","","0.986","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106953","29.175","0.008","29.175","0.008","10.882","0.004","90","","90","","120","","8022","4","90","2","90","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C120 H96 N17 -","- C120 H96 N17 -","- C360 H288 N51 -","3","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.6889","","","0.116","0.0641","","","0.149","0.1783","","","","","","1.014","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106954","30.587","0.002","30.587","0.002","21.553","0.002","90","","90","","120","","17463","2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C124.5 H89.5 Cl13.5 F12 N12 O0.5 -","- C124.5 H88 Cl13.17 F12 N12 O0.495 -","- C747 H528 Cl79.02 F72 N72 O2.97 -","6","0.666667","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1229","0.0828","","","0.2118","0.2298","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107036","26.422","0.007","26.422","0.007","7.967","0.002","90","","90","","120","","4817","2","88","2","88","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H23 F3 O6 -","- C20 H23 F3 O6 -","- C180 H207 F27 O54 -","9","1","","Martin J. Schnermann; Christopher M. Beaudry; Nathan E. Genung; Stephen M. Canham; Nicholas L. Untiedt; Breanne D. W. Karanikolas; Christine Sütterlin; Larry E. Overman","Divergent Synthesis and Chemical Reactivity of Bicyclic Lactone Fragments of Complex Rearranged Spongian Diterpenes","Journal of the American Chemical Society","2011","133","","17494","17503","10.1021/ja207727h","","","0.71073","MoKα","","0.0614","0.0394","","","0.0784","0.0866","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107655","44.861","0.006","44.861","0.006","10.203","0.002","90","","90","","120","","17783","5","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H300 N24 O18 Zn6 -","- C252 H252 N24 O18 Zn6 -","- C756 H756 N72 O54 Zn18 -","3","0.333333","","Gao Li; Weibin Yu; Yong Cui","A Homochiral Nanotubular Crystalline Framework of Metallomacrocycles for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2008","130","","4582","4583","10.1021/ja078317n","","","0.71073","MoKα","","0.0483","0.0423","","","0.1182","0.1227","","","","","","1.065","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107656","45.037","0.0019","45.037","0.0019","10.3862","0.0009","90","","90","","120","","18244.3","1.9","273","2","273","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C258 H324 N24 O18 Zn6 -","- C258 H252 N24 O18 Zn6 -","- C774 H756 N72 O54 Zn18 -","3","0.333333","","Gao Li; Weibin Yu; Yong Cui","A Homochiral Nanotubular Crystalline Framework of Metallomacrocycles for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2008","130","","4582","4583","10.1021/ja078317n","","","0.71073","MoKα","","0.1262","0.0646","","","0.1462","0.1802","","","","","","1.001","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107784","19.435","0.003","19.435","0.003","8.189","0.002","90","","90","","120","","2678.7","0.9","203","2","203","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C135 H99 N9 O18 -","9","1","","Shui-Ming Lu; Howard Alper","Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams","Journal of the American Chemical Society","2008","130","","6451","6455","10.1021/ja7111417","","","0.71073","MoKα","","0.0275","0.0263","","","0.0682","0.0691","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107786","19.8173","0.0019","19.8173","0.0019","8.1477","0.0016","90","","90","","120","","2771.1","0.7","202","2","202","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C135 H117 N9 O18 -","9","1","","Shui-Ming Lu; Howard Alper","Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams","Journal of the American Chemical Society","2008","130","","6451","6455","10.1021/ja7111417","","","0.71073","MoKα","","0.0952","0.0515","","","0.0894","0.1028","","","","","","1.048","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4109572","27.7103","0.001","27.7103","0.001","24.1747","0.0017","90","","90","","120","","16075.9","1.4","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C76 H62 Cu2 N10 O7 -","- C76 H40 Cu2 N10 O7 -","- C684 H360 Cu18 N90 O63 -","9","1","","Jungseok Heo; You-Moon Jeon; Chad A. Mirkin","Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers","Journal of the American Chemical Society","2007","129","","7712","7713","10.1021/ja0716812","","","0.71073","MoKα","","0.1331","0.0728","","","0.1912","0.2358","","","","","","0.84","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109573","27.7575","0.0015","27.7575","0.0015","24.198","0.003","90","","90","","120","","16146","2","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C76 H61.33 Cu2 N10 O6.67 -","- C76 H60 Cu2 N10 O6.66667 -","- C684 H540 Cu18 N90 O60 -","9","1","","Jungseok Heo; You-Moon Jeon; Chad A. Mirkin","Reversible Interconversion of Homochiral Triangular Macrocycles and Helical Coordination Polymers","Journal of the American Chemical Society","2007","129","","7712","7713","10.1021/ja0716812","","","0.71073","MoKα","","0.1768","0.0792","","","0.1973","0.2259","","","","","","1.026","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4112861","16.746","0.002","16.746","0.002","15.221","0.003","90","","90","","120","","3696.5","1","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H77 Li6 N6 O6 -","- C38 H77 Li6 N6 O6 -","- C114 H231 Li18 N18 O18 -","3","0.333333","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0856","0.0495","","","0.1337","0.1447","","","","","","1.045","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112997","16.3404","0.0023","16.3404","0.0023","28.0178","0.0027","90","","90","","120","","6478.7","1.4","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C69 H87 Cl6 N7 O12 S6 -","- C69 H81 Cl6 N7 O12 S6 -","- C207 H243 Cl18 N21 O36 S18 -","3","0.333333","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.2773","0.2118","","","0.3166","0.3388","","","","","","1.498","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113336","18.832","0.004","18.832","0.004","13.812","0.005","90","","90","","120","","4242","2","140","2","140","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H81 Ir3 N6 O9 -","- C60 H81 Ir3 N6 O9 -","- C180 H243 Ir9 N18 O27 -","3","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0388","0.0314","","","0.0537","0.0566","","","","","","1.013","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113530","27.396","0.001","27.3958","0.0008","10.7569","0.0008","90","0.0003","90","0.0003","120","0.0003","6991.8","0.6","123.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C66 H90 N18 O48 Pr4 -","- C66 H90 N30 O84 Pr4 -","- C198 H270 N90 O252 Pr12 -","3","0.333333","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","14.1151","","","","0.0816","","","","","","1.25","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113534","26.87","0.001","26.8699","0.0008","11.6699","0.0008","90","0.0003","90","0.0003","120","0.0003","7296.8","0.6","296.2","","","","","","","","","","","6","R 3 :H","R 3","146","","","","- C22.67 H28 Br2 N6 O16.33 Pr1.33 -","- C22.6667 Br2 N10 O28.99 Pr1.33333 -","- C204 Br18 N90 O260.91 Pr12 -","9","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0371","","","","0.1111","","","","","","1.325","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113554","27.433","0.003","27.439","0.005","10.784","0.004","90","","90","","120","","7030","3","123.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C22 H30 Ce1.33 N6 O16 -","- C22 H30 Ce1.33333 N10 O28 -","- C198 H270 Ce12 N90 O252 -","9","1","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0386","","","","0.169","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115086","35.023","0.004","35.023","0.004","9.9711","0.0013","90","","90","","120","","10592","2","200","2","200","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C41 H40 Cu N6 O9 S0.08 -","- C17.25 H15.75 Cu1.5 N1.5 O15 S1.5 -","- C207 H189 Cu18 N18 O180 S18 -","12","1.33333","","Heba Abourahma; Brian Moulton; Victor Kravtsov; Michael J. Zaworotko","Supramolecular Isomerism in Coordination Compounds: Nanoscale Molecular Hexagons and Chains","Journal of the American Chemical Society","2002","124","","9990","9991","10.1021/ja027371v","","","0.71073","MoKα","","0.121","0.095","","","0.2176","0.2357","","","","","","0.992","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4115177","13.7219","0.0011","13.7219","0.0011","7.1949","0.0008","90","","90","","120","","1173.23","0.19","293","2","160","2","","","","","","","synthetic","4","R 3 :H","R 3","146","","","","- C15 H24 Cr N3 -","- C15 H24 Cr N3 -","- C45 H72 Cr3 N9 -","3","0.333333","","Louise A. Berben; Jeffrey R. Long","Synthesis and Alkali Metal Ion-Binding Properties of a Chromium(III) Triacetylide Complex","Journal of the American Chemical Society","2002","124","","11588","11589","10.1021/ja027309y","","","0.71073","MoKα","","0.0247","0.0238","","0.0607","0.0601","","","","1.045","1.046","1.046","","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4116599","14.555","0.002","14.555","0.002","11.446","0.002","90","","90","","120","","2099.9","0.5","173","2","293","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C24 H54 N8 -","- C24 H36 N8 -","- C72 H108 N24 -","3","0.333333","","Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye","Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature","Journal of the American Chemical Society","1999","121","","10666","10667","10.1021/ja992667v","","","0.71073","MoKα","","0.0837","0.072","","0.2505","0.2299","","","","0.982","1.003","1.003","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4117952","27.4685","0.0019","27.4685","0.0019","19.581","0.003","90","","90","","120","","12795","2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1a","","","- C138 H120 N36 Ni4 O10 S -","- C138 H120 N36 Ni4 O10 S -","- C414 H360 N108 Ni12 O30 S3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.0611","0.0491","","","0.1113","0.1171","","","","","","0.966","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117953","27.5237","0.0012","27.5237","0.0012","19.5581","0.0018","90","","90","","120","","12831.3","1.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1b","","","- C138 H120 N39 Ni4 O38 P -","- C138 H120 N39 Ni4 O38 P -","- C414 H360 N117 Ni12 O114 P3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.132","0.1131","","","0.2811","0.3016","","","","","","1.263","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4119243","9.1872","0.0004","9.1872","0.0004","10.8539","0.0005","90","","90","","120","","793.38","0.06","93","2","93","2","","","","","","","","5","R 3 :H","R 3","146","","","","- As3 H4 Mn N S6 -","- As3 H4 Mn N S6 -","- As9 H12 Mn3 N3 S18 -","3","0.333333","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.0197","0.0192","","","0.0396","0.0398","","","","","","0.929","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119435","13.1739","0.0012","13.1739","0.0012","23.54","0.002","90","","90","","120","","3538.1","0.5","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C45 H69 F6 P Sb -","- C45 H69 F6 P Sb -","- C135 H207 F18 P3 Sb3 -","3","0.333333","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0541","0.0498","","","0.1208","0.1221","","","","","","1.078","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4120292","39.136","0.008","39.136","0.008","26.968","0.006","90","","90","","120","","35771","13","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C66 H66 N35 O17 -","- C65.991 H63.992 N34.9985 O17 -","- C1187.84 H1151.86 N629.973 O306 -","18","2","","Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman","Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers","Journal of the American Chemical Society","2013","135","","11760","11763","10.1021/ja406556h","","","1.54178","CuKα","","0.1104","0.0925","","","0.2643","0.2904","","","","","","1.101","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120423","14.362","0.005","14.362","0.005","9.724","0.005","90","","90","","120","","1737","1.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 K Se12 -","- Cd3.9975 Ga4.98 K Se12 -","- Cd11.9925 Ga14.94 K3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0307","0.0278","","","0.0543","0.0548","","","","","","1.078","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120424","14.4055","0.001","14.4055","0.001","9.7688","0.0019","90","","90","","120","","1755.6","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb Se12 -","- Cd4.0002 Ga4.98 Rb Se12 -","- Cd12.0006 Ga14.94 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0275","0.0254","","","0.0412","0.0422","","","","","","0.999","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120425","14.4204","0.0008","14.4204","0.0008","9.7803","0.0013","90","","90","","120","","1761.3","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 Se12 -","- Cd3.9975 Cs Ga5.01 Se12 -","- Cd11.9925 Cs3 Ga15.03 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.035","0.0316","","","0.0711","0.0729","","","","","","1.012","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120426","14.827","0.0005","14.827","0.0005","10.0747","0.0005","90","","90","","120","","1918.09","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 In5 Rb Se12 -","- Cd3.9996 In5.0004 Rb Se12 -","- Cd11.9988 In15.0012 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0296","0.0292","","","0.0685","0.0687","","","","","","1.083","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120427","14.864","0.005","14.864","0.005","10.102","0.005","90","","90","","120","","1932.9","1.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs In5 Se12 -","- Cd3.9996 Cs In5.0004 Se12 -","- Cd11.9988 Cs3 In15.0012 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0279","0.0276","","","0.0639","0.0641","","","","","","1.098","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120428","14.6793","0.0009","14.6793","0.0009","9.9732","0.0011","90","","90","","120","","1861.1","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- In5 Mn4 Rb Se12 -","- In5.0007 Mn3.9993 Rb Se12 -","- In15.0021 Mn11.9979 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.034","0.0306","","","0.0598","0.0608","","","","","","1.053","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120429","14.7202","0.0008","14.7202","0.0008","10.0035","0.0011","90","","90","","120","","1877.2","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs In5 Mn4 Se12 -","- Cs In5.0007 Mn3.9993 Se12 -","- Cs3 In15.0021 Mn11.9979 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0461","0.0396","","","0.0863","0.0893","","","","","","1.016","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4121075","15.31","0.004","15.31","0.004","9.155","0.002","90","","90","","120","","1858.4","0.8","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H39 Na O6 Si3 -","- C16 H39 Na O6 Si3 -","- C48 H117 Na3 O18 Si9 -","3","0.333333","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.0707","0.0643","","","0.1755","0.1805","","","","","","1.105","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121366","25.5125","0.0013","25.5125","0.0013","67.262","0.004","90","","90","","120","","37915","4","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","R-Ga4-CZ","toste73","","- C444 H672 Ga4 K12 N24 O102 -","- C228 H240 Ga4 N24 O48 -","- C684 H720 Ga12 N72 O144 -","3","0.333333","","Chen Zhao; Qing-Fu Sun; William M. Hart-Cooper; Antonio G. DiPasquale; F. Dean Toste; Robert G. Bergman; Kenneth N. Raymond","Chiral Amide Directed Assembly of a Diastereo- and Enantiopure Supramolecular Host and its Application to Enantioselective Catalysis of Neutral Substrates","Journal of the American Chemical Society","2013","135","","18802","18805","10.1021/ja411631v","","","1.54178","CuKα","","0.0952","0.0915","","","0.2541","0.2584","","","","","","1.094","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121371","21.29","0.006","21.29","0.006","9.79","0.004","90","","90","","120","","3843","2","123","2","123","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C180 H216 N18 -","9","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.0973","0.0748","","","0.1857","0.1931","","","","","","1.169","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4122810","39.2443","0.0011","39.2443","0.0011","26.2023","0.0008","90","","90","","120","","34948.1","1.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C347 H485 Dy12 N48 O83 -","- C346.86 H427.623 Dy12 N48 O76.2496 -","- C1040.58 H1282.87 Dy36 N144 O228.749 -","3","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","0.71073","MoKα","","0.091","0.0642","","","0.1674","0.1852","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123237","20.323","0.0003","20.323","0.0003","31.8618","0.0009","90","","90","","120","","11396.6","0.4","173","2","173","2","","","","","","","","9","R 3 :H","R 3","146","","","","- C147 H114 Au19 Cl6 F12 N3 O0 P6 Sb2 -","- C147 H114 Au19 Cl6 F6 N3 P6 Sb -","- C441 H342 Au57 Cl18 F18 N9 P18 Sb3 -","3","0.333333","","Wan, Xian-Kai; Tang, Qing; Yuan, Shang-Fu; Jiang, De-En; Wang, Quan-Ming","Au19 nanocluster featuring a v-shaped alkynyl-gold motif.","Journal of the American Chemical Society","2015","137","2","652","655","10.1021/ja512133a","","","0.71073","MoKα","","0.0384","0.0352","","","0.0896","0.0924","","","","","","1.064","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123786","26.577","0.002","26.577","0.002","59.934","0.004","90","","90","","120","","36662","5","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C397 H585 Cl12 N51 O87 -","- C397 H561 Cl11.94 N51 O87 -","- C1191 H1683 Cl35.82 N153 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.2234","0.1138","","","0.2938","0.3461","","","","","","0.927","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123787","26.449","0.007","26.449","0.007","59.41","0.03","90","","90","","120","","35992","2","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C396 H564 Cl9 N39 O87 -","- C396.03 H495.09 Cl9 N39 O87 -","- C1188.09 H1485.27 Cl27 N117 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.1864","0.0913","","","0.2397","0.2791","","","","","","0.801","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4125722","43.652","0.002","43.652","0.002","11.4512","0.0007","90","","90","","120","","18896.9","1.7","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N30 O21 Zn6 -","- C252 H258 N30 O21 Zn6 -","- C756 H774 N90 O63 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.1348","0.0886","","","0.2048","0.2299","","","","","","1.026","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125723","43.9623","0.0012","43.9623","0.0012","11.3572","0.0005","90","","90","","120","","19009.2","1.1","173","2","173.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C228 H255 N24 O18 Zn6 -","- C228 H255 N24 O18 Zn6 -","- C684 H765 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.0757","0.0662","","","0.1846","0.1954","","","","","","1.036","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125724","43.6574","0.0017","43.6574","0.0017","11.5213","0.0006","90","","90","","120","","19017.3","1.4","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C252 H258 N24 O24 Zn6 -","- C252 H258 N24 O24 Zn6 -","- C756 H774 N72 O72 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.126","0.0959","","","0.2256","0.252","","","","","","1.035","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125725","43.7244","0.0016","43.7244","0.0016","11.683","0.0009","90","","90","","120","","19343.4","1.8","123","2","123.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C234 H258 N24 O18 Zn6 -","- C234 H258 N24 O18 Zn6 -","- C702 H774 N72 O54 Zn18 -","3","0.333333","","Dong, Jinqiao; Tan, Chunxia; Zhang, Kang; Liu, Yan; Low, Paul J.; Jiang, Jianwen; Cui, Yong","Chiral NH-Controlled Supramolecular Metallacycles.","Journal of the American Chemical Society","2017","139","4","1554","1564","10.1021/jacs.6b11422","","","1.54178","CuKα","","0.179","0.0828","","","0.2383","0.2798","","","","","","1.128","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4126202","13.9622","0.0007","13.9622","0.0007","11.1895","0.0011","90","","90","","120","","1889.1","0.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Cl3 N O7 Zn -","- C16 H38.0001 Cl3 N O7 Zn -","- C48 H114 Cl9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; He, Chun-Ting; Zeng, Ying; Ji, Cheng-Min; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Crystalline Supramolecular Gyroscope with a Water Molecule as an Ultrasmall Polar Rotator Modulated by Charge-Assisted Hydrogen Bonds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02981","","","0.71073","MoKα","","0.0279","0.0274","","","0.0776","0.0781","","","","","","1.057","","","","has coordinates","197713","2020-10-21","18:00:00",""
"4126209","38.2768","0.0018","38.2768","0.0018","34.6107","0.0016","90","","90","","120","","43915","4","90","2","90","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C180 H566 Cu24 N84 O253 -","- C180 H204 Cu24 N84 O253 -","- C540 H612 Cu72 N252 O759 -","3","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Verdaguer, Michel; Train, Cyrille; Paillard, Charles; Dkhil, Brahim; Versace, Carlo; Bruno, Rosaria; Armentano, Donatella; Pardo, Emilio","Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal-Organic Frameworks.","Journal of the American Chemical Society","2017","139","24","8098","8101","10.1021/jacs.7b03633","","","0.71073","MoKα","","0.0763","0.0706","","","0.201","0.2095","","","","","","1.092","","","","has coordinates","200658","2020-10-21","18:00:00",""
"4129364","29.89","0.004","29.89","0.004","5.8875","0.0007","90","","90","","120","","4555.3","1","133","2","133","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H33 Cl O2 -","- C20 H33 Cl O2 -","- C180 H297 Cl9 O18 -","9","1","","Daub, Mary Elisabeth; Prudhomme, Jacques; Le Roch, Karine; Vanderwal, Christopher D.","Synthesis and potent antimalarial activity of kalihinol B.","Journal of the American Chemical Society","2015","137","15","4912","4915","10.1021/jacs.5b01152","","","0.71073","MoKα","","0.0458","0.0391","","","0.0879","0.0909","","","","","","1.038","","","","has coordinates","240093","2020-10-21","18:00:00",""
"4130510","15.57","0.005","15.57","0.005","14.579","0.008","90","","90","","120","","3061","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H66 B3 N3 O0.15 -","- C42 H66 B3 N3 O0.15 -","- C126 H198 B9 N9 O0.45 -","3","0.333333","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0686","0.0494","","","0.1116","0.12","","","","","","1.06","","","","has coordinates,has disorder","240919","2020-10-21","18:00:00",""
"4130518","24.0701","0.0006","24.0701","0.0006","12.2447","0.0005","90","","90","","120","","6143.8","0.3","120","2","120","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C17 H16 O -","- C17 H16 O -","- C306 H288 O18 -","18","2","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1559","0.1618","","","","","","1.072","","","","has coordinates","240925","2020-10-21","18:00:00",""
"4131624","28.1211","0.0009","28.1211","0.0009","30.4311","0.0013","90","","90","","120","","20840.7","1.3","223.01","0.1","223.01","0.1","","","","","","","","3","R 3 :H","R 3","146","6M-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.0822","0.0569","","","0.1529","0.1762","","","","","","0.965","","","","has coordinates","241800","2020-10-21","18:00:00",""
"4131625","29.0242","0.0009","29.0242","0.0009","30.6505","0.0011","90","","90","","120","","22360.9","1.3","223","0.1","223","0.1","","","","","","","","3","R 3 :H","R 3","146","6P-1","","","- C228 H216 N32 -","- C228 H216 N32 -","- C684 H648 N96 -","3","0.333333","","Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu","Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties.","Journal of the American Chemical Society","2017","139","50","18142","18145","10.1021/jacs.7b07657","","x-ray","1.54184","CuKα","","0.1044","0.0577","","","0.1463","0.1796","","","","","","0.903","","","","has coordinates","241801","2020-10-21","18:00:00",""
"4133062","21.407","0.004","21.407","0.004","29.254","0.006","90","","90","","120","","11610","4","174","2","174","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C132 H132 N36 O25 Zn13 -","- C132 H132 N36 O25 Zn13 -","- C396 H396 N108 O75 Zn39 -","3","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0493","0.0397","","","0.1109","0.1171","","","","","","0.899","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4133644","36.4159","0.0009","36.4159","0.0009","6.6637","0.0002","90","","90","","120","","7652.9","0.4","","","100.03","","","","","","","","","4","R 3 :H","R 3","146","","diol","","- C17 H19 N3 O6 -","- C17 H19 N3 O6 -","- C306 H342 N54 O108 -","18","2","","Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David","Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.","Journal of the American Chemical Society","2019","141","1","657","670","10.1021/jacs.8b12123","","x-ray","1.54178","CuKα","","0.0265","0.0261","","","0.0668","0.0672","","","","","","1.077","","","","has coordinates","243383","2020-10-21","18:00:00",""
"4133705","18.6911","0.0008","18.6911","0.0008","39.1469","0.0019","90","","90","","120","","11844","0.9","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C44.67 H53.67 B Cl8 F4 Fe N8 O -","- C44.6667 H53.6667 B Cl8 F4 Fe N8 O -","- C402 H483 B9 Cl72 F36 Fe9 N72 O9 -","9","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1047","0.0765","","","0.1821","0.2002","","","","","","1.034","","","","has coordinates,has disorder","243422","2020-10-21","18:00:00",""
"4134695","20.6977","0.0009","20.6977","0.0009","14.1093","0.0007","90","","90","","120","","5234.6","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H120 N16 P4 U -","- C60 H120 N16 P4 U -","- C180 H360 N48 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0579","0.057","","","0.1453","0.1469","","","","","","1.059","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134696","20.77","0.003","20.77","0.003","13.975","0.002","90","","90","","120","","5221","1.3","103.58","","103.58","","","","","","","","","6","R 3 :H","R 3","146","","","","- C60 H120 N16 O P4 U -","- C60 H120 N16 O P4 U -","- C180 H360 N48 O3 P12 U3 -","3","0.333333","","Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.","Journal of the American Chemical Society","2020","142","16","7368","7373","10.1021/jacs.0c02693","","","0.71073","MoKα","","0.0651","0.0605","","","0.1498","0.1561","","","","","","1.101","","","","has coordinates","251462","2020-10-21","18:00:00",""
"4134868","20.4511","0.0003","20.4511","0.0003","25.0437","0.0007","90","","90","","120","","9071.2","0.3","253","2","253","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C64 H128 La4 N32 O80 Rb4 -","- C68 H40 La4 N28 O79.9992 Rb4 -","- C204 H120 La12 N84 O239.998 Rb12 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0923","0.0878","","","0.1714","0.1732","","","","","","1.144","","","","has coordinates,has disorder","252617","2020-10-21","18:00:00",""
"4134871","20.5225","0.0005","20.5225","0.0005","25.052","0.0007","90","","90","","120","","9137.6","0.4","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C64 H128 La4 N33.33 O80 -","- C68 H40 La4 N32 O79.9992 -","- C204 H120 La12 N96 O239.998 -","3","0.333333","","Shi, Chao; Ma, Jia-Jun; Jiang, Jia-Ying; Hua, Miao-Miao; Xu, Qi; Yu, Hui; Zhang, Yi; Ye, Heng-Yun","Large Piezoelectric Response in Hybrid Rare-Earth Double Perovskite Relaxor Ferroelectrics.","Journal of the American Chemical Society","2020","142","21","9634","9641","10.1021/jacs.0c00480","","","0.71073","MoKα","","0.0789","0.0729","","","0.1843","0.1867","","","","","","1.583","","","","has coordinates","252617","2020-10-21","18:00:00",""
"4134910","42.315","0.006","42.315","0.006","19.337","0.004","90","","90","","120","","29985","9","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C115.01 H107.4 F12 N12.64 O23.65 Ru4 S4 -","- C1035.09 H966.6 F108 N113.76 O212.85 Ru36 S36 -","9","1","","Singh, Jatinder; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Hadiputra, Rizky; Jung, Jaehoon; Chi, Ki-Whan","The first quantitative synthesis of a closed three‒link chain (6<sup>3</sup><sub>1</sub>) using coordination and non-covalent interactions‒driven self‒assembly.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01406","","","0.7","synchrotron","","0.0875","0.0846","","","0.2272","0.2367","","","","","","1.037","","","","has coordinates","251818","2020-10-21","18:00:00",""
"4135163","27.9529","0.0009","27.9529","0.0009","10.1479","0.0003","90","","90","","120","","6866.9","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.22 H11.29 N3 O3 Zn -","- C10.222 H11.296 N3 O3 Zn -","- C183.996 H203.328 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0665","0.0587","","","0.1632","0.1679","","","","","","1.108","","","","has coordinates,has disorder","255516","2020-10-21","18:00:00",""
"4135166","28.659","0.0013","28.659","0.0013","10.1251","0.0004","90","","90","","120","","7202","0.5","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.83 H8.66 N3 O3.21 Zn -","- C7.84 H8.68 N3 O3.21 Zn -","- C141.12 H156.24 N54 O57.78 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0795","0.078","","","0.2249","0.2261","","","","","","1.142","","","","has coordinates,has disorder","255519","2020-10-21","18:00:00",""
"4135167","28.2634","0.0009","28.2634","0.0009","10.1714","0.0003","90","","90","","120","","7036.6","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0532","0.0492","","","0.1626","0.1664","","","","","","1.099","","","","has coordinates","255520","2020-10-21","18:00:00",""
"4135170","28.8656","0.001","28.8656","0.001","10.1277","0.0003","90","","90","","120","","7308.1","0.4","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C9.73 H13.38 N3.91 O3.91 Zn -","- C9.733 H13.377 N3.911 O3.911 Zn -","- C175.194 H240.786 N70.398 O70.398 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0856","0.0633","","","0.1596","0.1723","","","","","","1.066","","","","has coordinates,has disorder","255523","2020-10-21","18:00:00",""
"4135172","28.2673","0.0009","28.2673","0.0009","10.1143","0.0002","90","","90","","120","","6999","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0847","0.0692","","","0.1922","0.2018","","","","","","1.136","","","","has coordinates","255525","2020-10-21","18:00:00",""
"4135173","27.8332","0.0003","27.8332","0.0003","10.14011","0.00014","90","","90","","120","","6802.99","0.14","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.9 H9.85 N3.95 O3 Zn -","- C8.899 H9.8485 N3.9495 O3 Zn -","- C160.182 H177.273 N71.091 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0383","0.0371","","","0.1149","0.1158","","","","","","1.087","","","","has coordinates,has disorder","255526","2020-10-21","18:00:00",""
"4135174","28.3977","0.0008","28.3977","0.0008","10.1062","0.0002","90","","90","","120","","7058.1","0.3","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.54 H11.62 N3 O3.77 S0.77 Zn -","- C8.548 H11.644 N3 O3.774 S0.774 Zn -","- C153.864 H209.592 N54 O67.932 S13.932 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0942","0.0761","","","0.2156","0.2273","","","","","","1.043","","","","has coordinates,has disorder","255527","2020-10-21","18:00:00",""
"4135176","24.035","0.003","24.035","0.003","10.2251","0.0005","90","","90","","120","","5115.5","0.9","195","","195","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.6889","synchrotron","","0.1019","0.0857","","","0.2207","0.2345","","","","","","1.062","","","","has coordinates","255529","2020-10-21","18:00:00",""
"4135177","27.9972","0.0004","27.9972","0.0004","10.18666","0.00017","90","","90","","120","","6914.99","0.18","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0271","0.0258","","","0.064","0.0645","","","","","","1.05","","","","has coordinates","255530","2020-10-21","18:00:00",""
"4135178","28.3178","0.0004","28.3178","0.0004","10.1489","0.0002","90","","90","","120","","7048","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.97 H10.94 N3 O3.66 Zn -","- C8.9755 H10.951 N3 O3.6585 Zn -","- C161.559 H197.118 N54 O65.853 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0501","0.0474","","","0.1425","0.1446","","","","","","1.12","","","","has coordinates,has disorder","255531","2020-10-21","18:00:00",""
"4135180","28.6845","0.0007","28.6845","0.0007","10.1435","0.0002","90","","90","","120","","7227.9","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.54 H8.09 N3 O3.27 Zn -","- C7.542 H8.084 N3 O3.271 Zn -","- C135.756 H145.512 N54 O58.878 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0861","0.0718","","","0.1981","0.2103","","","","","","1.085","","","","has coordinates,has disorder","255533","2020-10-21","18:00:00",""
"4135181","28.1677","0.0004","28.1677","0.0004","10.1579","0.0001","90","","90","","120","","6979.71","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C10.53 H11.41 N3 O3 Zn -","- C10.532 H11.415 N3 O3 Zn -","- C189.576 H205.47 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0428","0.0396","","","0.1128","0.1151","","","","","","1.125","","","","has coordinates,has disorder","255534","2020-10-21","18:00:00",""
"4135182","28.1768","0.0004","28.1768","0.0004","10.1733","0.0001","90","","90","","120","","6994.81","0.16","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0479","0.0463","","","0.1575","0.1594","","","","","","1.158","","","","has coordinates","255535","2020-10-21","18:00:00",""
"4135183","27.7361","0.0009","27.7361","0.0009","10.1353","0.0003","90","","90","","120","","6752.4","0.4","150","","150","","","","","","","","","6","R 3 :H","R 3","146","","","","- C7.69 H8.37 Cl1.37 N3 O3 Zn -","- C7.6835 H8.367 Cl1.367 N3 O3 Zn -","- C138.303 H150.606 Cl24.606 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0756","0.0662","","","0.187","0.1953","","","","","","1.08","","","","has coordinates,has disorder","255536","2020-10-21","18:00:00",""
"4135184","28.9145","0.0003","28.9145","0.0003","10.1521","0.0001","90","","90","","120","","7350.52","0.13","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0577","0.0546","","","0.1767","0.1805","","","","","","1.073","","","","has coordinates","255537","2020-10-21","18:00:00",""
"4135185","28.2675","0.0005","28.2675","0.0005","10.1239","0.0002","90","","90","","120","","7005.7","0.2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C8.44 H9.16 F2.16 N3 O3.72 Zn -","- C8.439 H9.1585 F2.1585 N3 O3.7195 Zn -","- C151.902 H164.853 F38.853 N54 O66.951 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0678","0.057","","","0.1622","0.1702","","","","","","1.095","","","","has coordinates,has disorder","255538","2020-10-21","18:00:00",""
"4135186","28.3671","0.0009","28.3671","0.0009","10.1749","0.0004","90","","90","","120","","7090.7","0.4","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7 H7 N3 O3 Zn -","- C7 H7 N3 O3 Zn -","- C126 H126 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","","0.71073","MoKα","","0.0694","0.0572","","","0.1781","0.1877","","","","","","1.099","","","","has coordinates","255539","2020-10-21","18:00:00",""
"4135187","28.8315","0.0004","28.8315","0.0004","10.1304","0.0002","90","","90","","120","","7292.8","0.2","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C7.74 H8.77 N3 O3.29 Zn -","- C7.7375 H8.77 N3 O3.295 Zn -","- C139.275 H157.86 N54 O59.31 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0526","0.0495","","","0.1559","0.159","","","","","","1.111","","","","has coordinates,has disorder","255540","2020-10-21","18:00:00",""
"4135195","28.1471","0.0004","28.1471","0.0004","10.16708","0.00014","90","","90","","120","","6975.8","0.17","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8.26 H8.44 N3 O3 Zn -","- C8.26 H8.44 N3 O3 Zn -","- C148.68 H151.92 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0511","0.0483","","","0.1513","0.154","","","","","","1.064","","","","has coordinates","255548","2020-10-21","18:00:00",""
"4135201","28.1915","0.0006","28.1915","0.0006","10.2028","0.0002","90","","90","","120","","7022.4","0.3","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C12.78 H12.78 N3 O3 Zn -","- C12.715 H12.715 N3 O3 Zn -","- C228.87 H228.87 N54 O54 Zn18 -","18","2","","Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.","Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03853","","x-ray","0.71073","MoKα","","0.0528","0.0477","","","0.136","0.1404","","","","","","1.01","","","","has coordinates,has disorder","255555","2020-10-21","18:00:00",""
"4135584","11.5448","0.0016","11.5448","0.0016","11.934","0.002","90","","90","","120","","1377.5","0.4","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H24 Br2 O6 Zn -","- C12 H24 Br2 O6 Zn0.9999 -","- C36 H72 Br6 O18 Zn2.9997 -","3","0.333333","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0574","0.0308","","","0.0468","0.0527","","","","","","1.01","","","","has coordinates","261458","2021-02-04","00:43:15",""
"4135586","11.9296","0.0017","11.9296","0.0017","11.925","0.002","90","","90","","120","","1469.7","0.4","213","2","213","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H24 Br2 Eu O6 -","- C12 H24 Br2 Eu O6 -","- C36 H72 Br6 Eu3 O18 -","3","0.333333","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0393","0.0205","","","0.0323","0.0343","","","","","","0.791","","","","has coordinates","261460","2021-02-04","00:44:13",""
"4300390","12.9188","0.0009","12.9188","0.0009","14.6612","0.0016","90","","90","","120","","2119.1","0.3","146","2","146","2","","","","","","","","4","R 3 :H","R 3","146","","","","- F28 O8 Sb4 Xe4 -","- F27.96 O8.04 Sb4 Xe4 -","- F83.88 O24.12 Sb12 Xe12 -","3","0.333333","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","179041","2020-10-21","18:00:00",""
"4302765","18.5055","0.0014","18.5055","0.0014","22.556","0.002","90","","90","","120","","6689.5","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","9-(carboxypropyl)adenine_AgClO4 complex","","","- C48 H48 Ag12 Cl6 N30 O46 -","- C48 H48 Ag12 Cl6 N30 O46 -","- C144 H144 Ag36 Cl18 N90 O138 -","3","0.333333","","Jitendra Kumar; Sandeep Verma","Silver-Adenine Metallamacrocyclic Hexamer","Inorganic Chemistry","2009","48","","6350","6352","10.1021/ic900811k","","","0.71073","MoKα","","0.0488","0.0441","","","0.1075","0.1125","","","","","","1.085","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4303409","15.8536","0.0006","15.8536","0.0006","22.7938","0.0012","90","","90","","120","","4961.4","0.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C41 H95 Mn7 N25 Na O20 -","- C36 H78 Mn7 N24 Na O18 -","- C108 H234 Mn21 N72 Na3 O54 -","3","0.333333","","Theocharis C. Stamatatos; Dolos Foguet-Albiol; Katye M. Poole; Wolfgang Wernsdorfer; Khalil A. Abboud; Ted A. O'Brien; George Christou","Spin Maximization from S= 11 to S= 16 in Mn7 Disk-Like Clusters: Spin Frustration Effects and Their Computational Rationalization","Inorganic Chemistry","2009","48","","9831","9845","10.1021/ic901393m","","","0.71073","MoKα","","0.0385","0.0348","","","0.0906","0.0923","","","","","","1.025","","","","has coordinates,has disorder","179072","2020-10-21","18:00:00",""
"4304959","19.9","0.0011","19.9","0.0011","43.051","0.001","90","","90","","120","","14764.5","1.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C126 H202 O105 Sn2 -","- C126 H147 O105 Sn2 -","- C378 H441 O315 Sn6 -","3","0.333333","","Shun-Li Li; Ya-Qian Lan; Jian-Fang Ma; Jin Yang; Min Zhang; Zhong-Min Su","Unprecedented Dinuclear Tin Derivative of Deprotonated β-Cyclodextrins","Inorganic Chemistry","2008","47","","2931","2933","10.1021/ic8000784","","","0.71073","MoKα","","0.0833","0.0595","","","0.1472","0.1691","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305545","22.8567","0.0016","22.8567","0.0016","18.0751","0.0017","90","","90","","120","","8177.8","1.1","293","2","293","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C117 H98 Br3 Cl4 Cu3 N9 O2 P6 -","- C117 H96 Br3 Cl4 Cu3 N9 O2 P6 -","- C351 H288 Br9 Cl12 Cu9 N27 O6 P18 -","3","0.333333","","Marlyn Rivera-Carrillo; Indranil Chakraborty; Gellert Mezei; Richard D. Webster; Raphael G. Raptis","Tuning of the [Cu3(μ-O)]4+/5+ Redox Couple: Spectroscopic Evidence of Charge Delocalization in the Mixed-Valent [Cu3(μ-O)]5+ Species","Inorganic Chemistry","2008","47","","7644","7650","10.1021/ic800531y","","","0.71073","MoKα","","0.0361","0.0292","","","0.0745","0.0893","","","","","","1.03","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305546","22.8405","0.0016","22.8405","0.0016","17.9558","0.0018","90","","90","","120","","8112.3","1.1","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C117 H98 Cl7 Cu3 N9 O2 P6 -","- C117 H97 Cl7 Cu3 N9 O2 P6 -","- C351 H291 Cl21 Cu9 N27 O6 P18 -","3","0.333333","","Marlyn Rivera-Carrillo; Indranil Chakraborty; Gellert Mezei; Richard D. Webster; Raphael G. Raptis","Tuning of the [Cu3(μ-O)]4+/5+ Redox Couple: Spectroscopic Evidence of Charge Delocalization in the Mixed-Valent [Cu3(μ-O)]5+ Species","Inorganic Chemistry","2008","47","","7644","7650","10.1021/ic800531y","","","0.71073","MoKα","","0.0582","0.0383","","","0.0764","0.094","","","","","","0.983","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305547","22.908","0.003","22.908","0.003","17.874","0.005","90","","90","","120","","8123","3","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C120 H101 Cl4 Cu3 N9 O5 P6 -","- C120 H99 Cl4 Cu3 N9 O5 P6 -","- C360 H297 Cl12 Cu9 N27 O15 P18 -","3","0.333333","","Marlyn Rivera-Carrillo; Indranil Chakraborty; Gellert Mezei; Richard D. Webster; Raphael G. Raptis","Tuning of the [Cu3(μ-O)]4+/5+ Redox Couple: Spectroscopic Evidence of Charge Delocalization in the Mixed-Valent [Cu3(μ-O)]5+ Species","Inorganic Chemistry","2008","47","","7644","7650","10.1021/ic800531y","","","0.71073","MoKα","","0.0367","0.0338","","","0.0847","0.0872","","","","","","1.028","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305548","22.944","0.002","22.944","0.002","17.826","0.003","90","","90","","120","","8126.9","1.7","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C117 H96 Cl4 Cu3 N12 O7 P6 -","- C117 H96 Cl4 Cu3 N12 O7 P6 -","- C351 H288 Cl12 Cu9 N36 O21 P18 -","3","0.333333","","Marlyn Rivera-Carrillo; Indranil Chakraborty; Gellert Mezei; Richard D. Webster; Raphael G. Raptis","Tuning of the [Cu3(μ-O)]4+/5+ Redox Couple: Spectroscopic Evidence of Charge Delocalization in the Mixed-Valent [Cu3(μ-O)]5+ Species","Inorganic Chemistry","2008","47","","7644","7650","10.1021/ic800531y","","","0.71073","MoKα","","0.1191","0.0572","","","0.1063","0.1452","","","","","","0.983","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4306103","15.8536","0.0006","15.8536","0.0006","22.7938","0.0012","90","","90","","120","","4961.4","0.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C41 H95 Mn7 N25 Na O20 -","- C36 H78 Mn7 N24 Na O18 -","- C108 H234 Mn21 N72 Na3 O54 -","3","0.333333","","Theocharis C. Stamatatos; Katye M. Poole; Dolos Foguet-Albiol; Khalil A. Abboud; Ted A. O'Brien; George Christou","Spin Maximization: Switching of the Usual S= 11 State of MnII4MnIII3 Disklike Complexes to the Maximum S= 16","Inorganic Chemistry","2008","47","","6593","6595","10.1021/ic801024d","","","0.71073","MoKα","","0.0385","0.0348","","","0.0906","0.0923","","","","","","1.025","","","","has coordinates,has disorder","179099","2020-10-21","18:00:00",""
"4307169","18.3335","0.0018","18.3335","0.0018","8.0474","0.0012","90","","90","","120","","2342.5","0.5","298","2","298","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C30 H25 B Br3 N6 Tl -","- C30 H25 B Br3 N6 Tl -","- C90 H75 B3 Br9 N18 Tl3 -","3","0.333333","","Glen P. A. Yap; Fernando Jove; Juan Urbano; Eleuterio Alvarez; Swiatoslaw Trofimenko; M. Mar Díaz-Requejo; Pedro J. Pérez","Unusual Polybrominated Polypyrazolylborates and Their Copper(I) Complexes: Synthesis, Characterization, and Catalytic Activity","Inorganic Chemistry","2007","46","","780","787","10.1021/ic061714z","","","0.71073","MoKα","","0.0571","0.045","","","0.0773","0.0809","","","","","","1.05","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4310042","15.587","0.0016","15.587","0.0016","12.144","0.002","90","","90","","120","","2555.2","0.6","150","","150","","","","","","","","","7","R 3 :H","R 3","146","","","","- C33 H37 B Cu N6 P S3 -","- C33 H37 B Cu N6 P S3 -","- C99 H111 B3 Cu3 N18 P3 S9 -","3","0.333333","","Philip J. Bailey; Alice Dawson; Chiara McCormack; Stephen A. Moggach; Iain D. H. Oswald; Simon Parsons; David W. H. Rankin; Andrew Turner","Barriers to Racemization in C3-Symmetric Complexes Containing the Hydrotris(2-mercapto-1-ethylimidazolyl)borate (TmEt) Ligand","Inorganic Chemistry","2005","44","","8884","8898","10.1021/ic0505293","","","0.71073","MoKα","","0.0214","0.0213","","0.0504","0.0503","0.0504","","","","","","1.0175","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311496","17.1581","0.0002","17.1581","0.0002","10.4309","0.0001","90","","90","","120","","2659.44","0.05","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C24 H35 N3 O31 Zn3 -","- C24 H6 N3 O31 Zn3 -","- C72 H18 N9 O93 Zn9 -","3","0.333333","","Sujit K. Ghosh; G. Savitha; Parimal K. Bharadwaj","Reactivity of Pyridine-2,4,6-tricarboxylic Acid toward Zn(II) Salts under Different Reaction Conditions","Inorganic Chemistry","2004","43","","5495","5497","10.1021/ic049490c","","","0.71073","MoKα","","0.1114","0.096","","","0.2529","0.2735","","","","","","1.084","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4312402","11.9031","0.0018","11.9031","0.0018","27.742","0.003","90","","90","","120","","3404","0.8","90","2","90","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H57 Fe2 N21 O3 -","- C42 H57 Fe2 N20.99 O2.97 -","- C126 H171 Fe6 N62.97 O8.91 -","3","0.333333","","Yuichi Ikuta; Makoto Ooidemizu; Yuichi Yamahata; Masahiro Yamada; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Yukinari Sunatsuki; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues","A New Family of Spin Crossover Complexes with a Tripod Ligand Containing Three Imidazoles: Synthesis, Characterization, and Magnetic Properties of [FeIIH3LMe](NO3)2.1.5H2O, [FeIIILMe].3.5H2O, [FeIIH3LMe][FeIILMe]NO3, and [FeIIH3LMe][FeIIILMe](NO3)2 (H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)","Inorganic Chemistry","2003","42","","7001","7017","10.1021/ic034495f","","","0.71073","MoKα","","0.0811","0.044","","","0.0914","0.1082","","","","","","0.927","","","","has coordinates,has disorder","179163","2020-10-21","18:00:00",""
"4312404","12.093","0.002","12.093","0.002","28.35","0.003","90","","90","","120","","3590.5","0.9","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H57 Fe2 N21 O3 -","- C42 H57 Fe2 N20.99 O2.97 -","- C126 H171 Fe6 N62.97 O8.91 -","3","0.333333","","Yuichi Ikuta; Makoto Ooidemizu; Yuichi Yamahata; Masahiro Yamada; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Yukinari Sunatsuki; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues","A New Family of Spin Crossover Complexes with a Tripod Ligand Containing Three Imidazoles: Synthesis, Characterization, and Magnetic Properties of [FeIIH3LMe](NO3)2.1.5H2O, [FeIIILMe].3.5H2O, [FeIIH3LMe][FeIILMe]NO3, and [FeIIH3LMe][FeIIILMe](NO3)2 (H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)","Inorganic Chemistry","2003","42","","7001","7017","10.1021/ic034495f","","","0.71073","MoKα","","0.097","0.0491","","","0.1152","0.1368","","","","","","0.845","","","","has coordinates,has disorder","179163","2020-10-21","18:00:00",""
"4312405","11.9312","0.0017","11.9312","0.0017","27.893","0.003","90","","90","","120","","3438.7","0.8","130","2","130","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H57 Fe2 N21 O3 -","- C42 H57 Fe2 N20.99 O2.97 -","- C126 H171 Fe6 N62.97 O8.91 -","3","0.333333","","Yuichi Ikuta; Makoto Ooidemizu; Yuichi Yamahata; Masahiro Yamada; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Yukinari Sunatsuki; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues","A New Family of Spin Crossover Complexes with a Tripod Ligand Containing Three Imidazoles: Synthesis, Characterization, and Magnetic Properties of [FeIIH3LMe](NO3)2.1.5H2O, [FeIIILMe].3.5H2O, [FeIIH3LMe][FeIILMe]NO3, and [FeIIH3LMe][FeIIILMe](NO3)2 (H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)","Inorganic Chemistry","2003","42","","7001","7017","10.1021/ic034495f","","","0.71073","MoKα","","0.0841","0.0458","","","0.1063","0.1206","","","","","","0.889","","","","has coordinates,has disorder","179163","2020-10-21","18:00:00",""
"4312657","12.486","0.002","12.486","0.002","27.783","0.004","90","","90","","120","","3751.1","1","295","2","295","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C42 H57 F6 Fe2 N20 P -","- C42 H57 F6 Fe2 N20 P -","- C126 H171 F18 Fe6 N60 P3 -","3","0.333333","","Masahiro Yamada; Makoto Ooidemizu; Yuichi Ikuta; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues","Interlayer Interaction of Two-Dimensional Layered Spin Crossover Complexes [FeIIH3LMe][FeIILMe]X (X-= ClO4-, BF4-, PF6-, AsF6-, and SbF6-; H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)","Inorganic Chemistry","2003","42","","8406","8416","10.1021/ic034439e","","","0.71073","MoKα","","0.0707","0.0391","","","0.0716","0.0791","","","","","","0.799","","","","has coordinates,has disorder","179165","2020-10-21","18:00:00",""
"4312658","12.1525","0.0017","12.1525","0.0017","27.098","0.003","90","","90","","120","","3465.8","0.8","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C42 H57 F6 Fe2 N20 P -","- C42 H57 F6 Fe2 N20 P -","- C126 H171 F18 Fe6 N60 P3 -","3","0.333333","","Masahiro Yamada; Makoto Ooidemizu; Yuichi Ikuta; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues","Interlayer Interaction of Two-Dimensional Layered Spin Crossover Complexes [FeIIH3LMe][FeIILMe]X (X-= ClO4-, BF4-, PF6-, AsF6-, and SbF6-; H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)","Inorganic Chemistry","2003","42","","8406","8416","10.1021/ic034439e","","","0.71073","MoKα","","0.0417","0.0391","","","0.08","0.0814","","","","","","0.987","","","","has coordinates,has disorder","179165","2020-10-21","18:00:00",""
"4312659","12.3152","0.0011","12.3152","0.0011","27.424","0.003","90","","90","","120","","3602","0.6","200","2","200","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C42 H57 F6 Fe2 N20 P -","- C42 H57 F6 Fe2 N20 P -","- C126 H171 F18 Fe6 N60 P3 -","3","0.333333","","Masahiro Yamada; Makoto Ooidemizu; Yuichi Ikuta; Shutaro Osa; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima; Françoise Dahan; Jean-Pierre Tuchagues","Interlayer Interaction of Two-Dimensional Layered Spin Crossover Complexes [FeIIH3LMe][FeIILMe]X (X-= ClO4-, BF4-, PF6-, AsF6-, and SbF6-; H3LMe= Tris[2-(((2-methylimidazol-4-yl)methylidene)amino)ethyl]amine)","Inorganic Chemistry","2003","42","","8406","8416","10.1021/ic034439e","","","0.71073","MoKα","","0.0405","0.0375","","","0.0795","0.0807","","","","","","1.006","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4314019","25.991","0.003","25.991","0.003","24.649","0.003","90","0.01","90","0.01","120","0.01","14420","3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C31 H46 N0.33 O3 P -","- C31 H46 N0.333333 O3 P -","- C558 H828 N6 O54 P18 -","18","2","","Sai P. Shum; Stephen D. Pastor; Anthony D. DeBellis; Paul A. Odorisio; Lilibeth Burke; Frank H. Clarke; Grety Rihs; Bogdan Piatek; Ronald K. Rodebaugh","Sterically Congested Tripodal Phosphites: Conformational Analysis, Solid-State Polymorphism, Metal Complexation, and Application to the Asymmetric Hydrosilation of Ketones1","Inorganic Chemistry","2003","42","","5097","5106","10.1021/ic030099l","","","1.54178","CuKα","","0.1221","0.0721","","0.1963","0.1621","","","","1.258","1.282","1.282","","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314956","14.7142","0.0009","14.7142","0.0009","13.8699","0.0016","90","","90","","120","","2600.6","0.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C24 H51 Cl3 O6 Sn Zr -","- C24 H51 Cl3 O6 Sn Zr -","- C72 H153 Cl9 O18 Sn3 Zr3 -","3","0.333333","","Edmond Y. Njua; Alexander Steiner; Lothar Stahl","Syntheses and Structures of Cationic and Neutral, Homo- and Heteroleptic tert-Butoxides of the Group 4 Metals","Inorganic Chemistry","2010","49","","2163","2172","10.1021/ic9019537","","","0.71073","MoKα","","0.0229","0.0227","","","0.0587","0.0589","","","","","","1.042","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4314957","14.687","0.0016","14.687","0.0016","13.854","0.003","90","","90","","120","","2588","0.7","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C24 H51 Cl3 Hf O6 Sn -","- C24 H51 Cl3 Hf O6 Sn -","- C72 H153 Cl9 Hf3 O18 Sn3 -","3","0.333333","","Edmond Y. Njua; Alexander Steiner; Lothar Stahl","Syntheses and Structures of Cationic and Neutral, Homo- and Heteroleptic tert-Butoxides of the Group 4 Metals","Inorganic Chemistry","2010","49","","2163","2172","10.1021/ic9019537","","","0.71073","MoKα","","0.0333","0.0333","","","0.0815","0.0815","","","","","","1.066","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4315160","16.712","","16.712","","22.056","","90","","90","","120","","5334.75","","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C48 H98 B2 Cl Er2 N15 Si6 -","- C48 H98 B2 Cl Er2 N15 Si6 -","- C144 H294 B6 Cl3 Er6 N45 Si18 -","3","0.333333","","Fuyan Han; Jie Zhang; Weiyin Yi; Zhengxing Zhang; Jingyi Yu; Linhong Weng; Xigeng Zhou","γ-Deprotonation of Anionic Bis(trimethylsilyl)amidolanthanide Complexes with a Countered [(TpMe2)2Ln]+ Cation","Inorganic Chemistry","2010","49","","2793","2798","10.1021/ic902296d","","","0.71073","MoKα","","0.1018","0.0772","","","0.1714","0.1854","","","","","","1.007","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315574","17.4081","0.0004","17.4081","0.0004","27.0084","0.0014","90","","90","","120","","7088.1","0.4","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C99 H119 B Fe3 N6 Na O12 -","- C99.02 H72 B Fe3 N6 Na O12 -","- C297.06 H216 B3 Fe9 N18 Na3 O36 -","3","0.333333","","Sayantan Paria; Partha Halder; Tapan Kanti Paine","A Functional Model of Extradiol-Cleaving Catechol Dioxygenases: Mimicking the 2-His-1-Carboxylate Facial Triad","Inorganic Chemistry","2010","49","","4518","4523","10.1021/ic902462k","","","0.71073","MoKα","","0.0794","0.0637","","","0.1748","0.1922","","","","","","1.048","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315910","14.9636","0.001","14.9636","0.001","23.254","0.003","90","","90","","120","","4509.2","0.7","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C42 H84 Br P6 S4 W3 -","- C42 H84 Br P6 S4 W3 -","- C126 H252 Br3 P18 S12 W9 -","3","0.333333","","Andrés G. Algarra; Manuel G. Basallote; M. Jesús Fernández-Trujillo; Marta Feliz; Eva Guillamón; Rosa Llusar; Ivan Sorribes; Cristian Vicent","Chiral [Mo3S4H3(diphosphine)3]+ Hydrido Clusters and Study of the Effect of the Metal Atom on the Kinetics of the Acid-Assisted Substitution of the Coordinated Hydride: Mo vs W","Inorganic Chemistry","2010","49","","5935","5942","10.1021/ic100381u","","","0.71073","MoKα","","0.035","0.0301","","","0.082","0.0863","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317898","20.461","0.001","20.461","0.001","24.159","0.001","90","","90","","120","","8759.2","0.7","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C34 H50 Cu N6 O9 -","- C34 H46 Cu N6 O9 -","- C306 H414 Cu9 N54 O81 -","9","1","","Jung Woo Ko; Kil Sik Min; Myunghyun Paik Suh","A Hybrid Consisting of Coordination Polymer and Noncovalent Organic Networks: A Highly Ordered 2-D Phenol Network Assembled by Edge-to-Face π-π Interactions","Inorganic Chemistry","2002","41","","2151","2157","10.1021/ic011281u","","","0.71073","MoKα","","0.1117","0.0742","","0.247","0.1816","","","","1.073","1.048","1.048","","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4318403","23.754","0.005","23.754","0.005","12.836","0.003","90","","90","","120","","6272","2","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C26 H34 N O6 V -","- C26 H34 N O6 V -","- C234 H306 N9 O54 V9 -","9","1","","Bharat Baruah; Samir Das; Animesh Chakravorty","A Family of Vanadate Esters of Monoionized and Diionized Aromatic 1,2-Diols: Synthesis, Structure, and Redox Activity","Inorganic Chemistry","2002","41","","4502","4508","10.1021/ic020259d","","","0.71073","MoKα","","0.065","0.0515","","0.1461","0.1344","","","","1.089","1.097","1.097","","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4319105","16.3144","0.0012","16.3144","0.0012","52.47","0.002","90","","90","","120","","12094.4","1.3","293","2","293","2","","","","","","","GRCM - INSA-Rennes","6","R 3 :H","R 3","146","","","","- C26 H28 Cu2 N6 Nd1.33 O20 -","- C26 Cu2 N6 Nd1.33333 O20 -","- C234 Cu18 N54 Nd12 O180 -","9","1","","Carole Daiguebonne; Olivier Guillou; Myrtil L. Kahn; Olivier Kahn; Robert L. Oushoorn; Kamal Boubekeur","A NdIIICuII Molecular Material with a Honeycomb-like Structure","Inorganic Chemistry","2001","40","","176","178","10.1021/ic000375l","","","0.71073","MoKα","","0.3178","0.079","","0.2976","0.1776","","","","0.793","1.172","1.172","","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319304","13.8039","0.0016","13.8039","0.0016","20.85","0.002","90","","90","","120","","3440.6","0.7","153","2","153","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Cs4 Se27 Ti6 -","- Ba Cs4 Se27 Ti6 -","- Ba3 Cs12 Se81 Ti18 -","3","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0429","0.0372","","","0.09","0.0926","","","","","","1.217","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319306","13.5203","0.0008","13.5203","0.0008","19.7843","0.0011","90","","90","","120","","3132","0.3","153","2","153","2","","","","","","","","3","R 3 :H","R 3","146","","","","- Cs6 S27 Ti6 -","- Cs6 S27 Ti6 -","- Cs18 S81 Ti18 -","3","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0169","0.0167","","","0.0451","0.0452","","","","","","0.905","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319794","23.001","0.003","23.001","0.003","4.649","0.001","90","","90","","120","","2130","0.6","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C9 H8.67 Ag N O3.33 -","- C9 H7 Ag N O3.33333 -","- C81 H63 Ag9 N9 O30 -","9","1","","Andrea Erxleben","Synthesis and Structure of {[Ag(SalGly)].0.33H2O}n: An Infinite Double Helical Coordination Polymer","Inorganic Chemistry","2001","40","","2928","2931","10.1021/ic010028r","","","0.71069","MoKα","","0.0587","0.0501","","0.1731","0.1509","","","","1.146","1.154","1.154","","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4321391","17.436","0.004","17.436","0.004","10.907","0.003","90","","90","","120","","2871.6","1.2","213","2","213","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C27 H33 N3 O13 Ru3 -","- C27 H33 N3 O13 Ru3 -","- C81 H99 N9 O39 Ru9 -","3","0.333333","","Scott B. Marr; Richard O. Carvel; David T. Richens; Hyun-Jin Lee; Michael Lane; Pericles Stavropoulos","Comparison between Iron and Ruthenium Reagents Mediating GifIV-Type Oxygenation of Cyclohexane","Inorganic Chemistry","2000","39","","4630","4638","10.1021/ic0001560","","","0.71073","MoKα","","0.0521","0.047","","","0.1319","0.1354","","","","","","1.337","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4322131","7.5675","0.0011","7.5675","0.0011","34.703","0.005","90","","90","","120","","1721.1","0.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","Tris-aquo-tricarbonyl-ruthenium(II) di-tetrafluoborate","","- C3 H6 B2 F8 O6 Ru -","- C3 H6 B2 F8 O6 Ru -","- C18 H36 B12 F48 O36 Ru6 -","6","0.666667","","Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti","Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent","Inorganic Chemistry","1999","38","","3361","3368","10.1021/ic981429i","","","0.71073","MoKα","","0.0203","0.0193","","","0.0483","0.0491","","","","","","1.191","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322471","10.3609","0.001","10.3609","0.001","16.384","0.002","90","","90","","120","","1523.2","0.3","295","2","295","2","","","","","","","","7","R 3 :H","R 3","146","","[Cu(II)(TEMEA)Cl]ClO4","","- C12 H27 Cl2 Cu N O4 S3 -","- C12 H27 Cl2 Cu N O4.01 S3 -","- C36 H81 Cl6 Cu3 N3 O12.03 S9 -","3","0.333333","","Edna A. Ambundo; Marie-Veronique Deydier; Andrew J. Grall; Natalia Aguera-Vega; Luke T. Dressel; Thomas H. Cooper; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Influence of Coordination Geometry upon Copper(II/I) Redox Potentials. Physical Parameters for Twelve Copper Tripodal Ligand Complexes","Inorganic Chemistry","1999","38","","4233","4242","10.1021/ic990334t","","","0.71073","MoKα","","0.0593","0.0493","","0.1185","0.1106","","","","1.059","1.077","1.077","","","","","has coordinates,has disorder","179327","2020-10-21","18:00:00",""
"4323204","9.8243","0.0014","9.8243","0.0014","22.098","0.004","90","","90","","120","","1847.1","0.5","296","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C H B11 Br11 Cs -","- B12 Br10.9212 Cs -","- B36 Br32.7636 Cs3 -","3","0.333333","","Zuowei Xie; Chi-Wing Tsang; Eric Tung-Po Sze; Qingchuan Yang; Dominic T. W. Chan; Thomas C. W. Mak","Highly Chlorinated, Brominated, and Iodinated Icosahedral Carborane Anions: 1-H-CB11X11-, 1-CH3-CB11X11- (X = Cl, Br, I); 1-Br-CB11Br11-","Inorganic Chemistry","1998","37","","6444","6451","10.1021/ic9805628","","","0.71073","MoKα","","0.0693","0.0343","","0.0877","0.0727","","","","1.024","1.091","1.091","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323241","13.2343","0.0002","13.2343","0.0002","19.7741","0.0002","90","","90","","120","","2999.36","0.07","296","2","296","2","","","","","","","see text","6","R 3 :H","R 3","146","","","","- C45 H35 Ni O3 P S3 -","- C44.95 H34.95 Ni O3 P S3 -","- C134.85 H104.85 Ni3 O9 P3 S9 -","3","0.333333","","Rema Devy; Jagadese J. Vittal; Philip A. W. Dean","Synthesis and Stereochemistry of Homoleptic Transition Metal Thiobenzoate Complexes, (Ph4P)[M(SC{O}Ph)3] (M = Mn, Co, and Ni)","Inorganic Chemistry","1998","37","","6939","6941","10.1021/ic980394j","","","0.71073","MoKα","","0.0657","0.0462","","0.1051","0.0961","","","","1.077","1.134","1.134","","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323242","13.2996","0.0005","13.2996","0.0005","19.9335","0.0011","90","","90","","120","","3053.5","0.2","296","2","296","2","","","","","","","see text","6","R 3 :H","R 3","146","","Tetraphenylphosphonium tri(thiobenzoato-O,S)manganate(II)'","","- C45 H35 Mn O3 P S3 -","- C44.95 H34.95 Mn O3 P S3 -","- C134.85 H104.85 Mn3 O9 P3 S9 -","3","0.333333","","Rema Devy; Jagadese J. Vittal; Philip A. W. Dean","Synthesis and Stereochemistry of Homoleptic Transition Metal Thiobenzoate Complexes, (Ph4P)[M(SC{O}Ph)3] (M = Mn, Co, and Ni)","Inorganic Chemistry","1998","37","","6939","6941","10.1021/ic980394j","","","0.71073","MoKα","","0.0737","0.0532","","0.1436","0.1315","","","","1.042","1.128","1.128","","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323243","13.2775","0.0002","13.2775","0.0002","19.8742","0.0005","90","","90","","120","","3034.26","0.1","293","2","293","2","","","","","","","see text","6","R 3 :H","R 3","146","","","","- C45 H35 Co O3 P S3 -","- C44.95 H34.95 Co O3 P S3 -","- C134.85 H104.85 Co3 O9 P3 S9 -","3","0.333333","","Rema Devy; Jagadese J. Vittal; Philip A. W. Dean","Synthesis and Stereochemistry of Homoleptic Transition Metal Thiobenzoate Complexes, (Ph4P)[M(SC{O}Ph)3] (M = Mn, Co, and Ni)","Inorganic Chemistry","1998","37","","6939","6941","10.1021/ic980394j","","","0.71073","MoKα","","0.0518","0.0399","","0.0855","0.0795","","","","1.105","1.121","1.121","","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323851","52.986","0.004","52.986","0.004","10.545","0.001","90","","90","","120","","25639","4","213","2","213","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C54 H54 F12 N6 O0.08 P2 Ru -","- C54 H54 F12 N6 O0.0833333 P2 Ru -","- C972 H972 F216 N108 O1.5 P36 Ru18 -","18","2","","Hansruedi Mürner; Alex von Zelewsky; Helen Stoeckli-Evans","Octahedral Complexes with Predetermined Helical Chirality: Xylene-Bridged Bis([4,5]-pineno-2,2'-bipyridine) Ligands (Chiragen[o-,m-,p-xyl]) with Ruthenium(II)","Inorganic Chemistry","1996","35","","3931","3935","10.1021/ic951539e","","","0.71073","MoKα","","0.3166","0.087","","0.1381","0.0899","","","","0.78","1.143","1.143","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323869","18.2325","0.0007","18.2325","0.0007","6.841","0.0004","90","","90","","120","","1969.44","0.16","","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C24 H30 Cu3 N3 S3 -","- C24 H30 Cu3 N3 S3 -","- C72 H90 Cu9 N9 S9 -","3","0.333333","","Maurits D. Janssen; Johannes G. Donkervoort; Sofia B. van Berlekom; Anthony L. Spek; David M. Grove; Gerard van Koten","Copper(I) Arenethiolates with Intramolecular Coordination and the Formation of Mixed Organo(arenethiolato)copper(I) Aggregates. X-ray Structures of Trimeric [Cu(SC6H4NMe2-2)]3, Nonameric [Cu(S-1-C10H6NMe2-8)]9, and Hexanuclear [Cu3(S-1-C10H6NMe2-8)2(C\τbCtBu)]2","Inorganic Chemistry","1996","35","","4752","4763","10.1021/ic951664q","","","0.71073","MoKα","","0","0","","0","0","","","","0","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326112","12.9314","0.0002","12.9314","0.0002","31.063","0.0006","90","","90","","120","","4498.47","0.13","99","2","100","2","","","","","","","","6","R 3 :H","R 3","146","Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]-4,5- dihydroimidazol-2-ylidene}tricopper(I) tetrafluoroborate ethanenitrile trisolvate","Triangulo-tris{η^3^-μ~2~-1,3-bis[(2-pyridyl-κN)methyl]-4,5-didydro- 2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate ethanenitrile trisolvate","","- C51 H57 B3 Cu3 F12 N15 -","- C50.9998 H56.9991 B3 Cu3 F12 N14.9999 -","- C152.999 H170.997 B9 Cu9 F36 N44.9997 -","3","0.333333","","Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin","Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters","Inorganic Chemistry","2011","50","","8465","8476","10.1021/ic201053t","","","0.71073","MoKα","","0.0586","0.0531","","","0.1563","0.1632","","","","","","1.137","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326925","52.143","0.004","52.143","0.004","31.87","0.003","90","","90","","120","","75042","11","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C344 H224 N24 O60 Zn16 -","- C344 H223.98 N24 O60 Zn16 -","- C1032 H671.94 N72 O180 Zn48 -","3","0.333333","","Manolis J. Manos; Marios S. Markoulides; Christos D. Malliakas; Giannis S. Papaefstathiou; Nikos Chronakis; Mercouri G. Kanatzidis; Pantelis N. Trikalitis; Anastasios J. Tasiopoulos","A Highly Porous Interpenetrated Metal-Organic Framework from the Use of a Novel Nanosized Organic Linker","Inorganic Chemistry","2011","50","","11297","11299","10.1021/ic201919q","","","0.71073","MoKα","","0.1222","0.0402","","","0.0708","0.0807","","","","","","0.944","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4327201","22.3106","0.0002","22.3106","0.0002","43.183","0.0005","90","","90","","120","","18615.1","0.3","153","","153","","","","","","","","","6","R 3 :H","R 3","146","","","","- C144 Al6 N9 O117 Si3 W30 -","- C143.88 Al6 N9 O117 Si3 W30 -","- C431.64 Al18 N27 O351 Si9 W90 -","3","0.333333","","Yuji Kikukawa; Kazuya Yamaguchi; Mitsuhiro Hibino; Noritaka Mizuno","Layered Assemblies of a Dialuminum-Substituted Silicotungstate Trimer and the Reversible Interlayer Cation-Exchange Properties","Inorganic Chemistry","2011","50","","12411","12413","10.1021/ic2022648","","x-ray","0.71069","MoKα","","","0.0481","","","","0.1435","","","","","","1.062","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327750","20.542","0.002","20.542","0.002","17.928","0.002","90","","90","","120","","6551.6","1.2","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H72 B7 F28 Fe2 N21 -","- C81 H72 B7 F28 Fe2 N21 -","- C243 H216 B21 F84 Fe6 N63 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.0533","0.0461","","","0.1185","0.1238","","","","","","1.045","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327751","20.675","0.004","20.675","0.004","17.902","0.004","90","","90","","120","","6627","2","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H72 Cl7 Fe2 N21 O28 -","- C81 H72 Cl7 Fe2 N21 O28 -","- C243 H216 Cl21 Fe6 N63 O84 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.0849","0.0594","","","0.1363","0.151","","","","","","1.079","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327752","20.526","0.006","20.526","0.006","17.924","0.005","90","","90","","120","","6540","3","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C81 H72 Fe2 N21 O22 S7 -","- C81 H72 Fe2 N21 O22 S7 -","- C243 H216 Fe6 N63 O66 S21 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.1174","0.0844","","","0.2171","0.2434","","","","","","1.037","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327753","26.49","0.005","26.49","0.005","23.483","0.004","90","","90","","120","","14271","5","153","2","153","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C231 H201 B6 Br Fe2 N24 -","- C231 H201 B6 Br0.34 Fe2 N24 -","- C693 H603 B18 Br1.02 Fe6 N72 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.1051","0.0556","","","0.109","0.1288","","","","","","0.979","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327754","13.563","0.012","13.563","0.012","42.74","0.04","90","","90","","120","","6809","11","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C75 H63 Cu2 N21 O11 -","- C75 H63 Cu2 N21 O11 -","- C225 H189 Cu6 N63 O33 -","3","0.333333","","Fengjuan Cui; Shaoguang Li; Chuandong Jia; Jennifer S. Mathieson; Leroy Cronin; Xiao-Juan Yang; Biao Wu","Anion-Dependent Formation of Helicates versus Mesocates of Triple-Stranded M2L3 (M = Fe2+, Cu2+) Complexes","Inorganic Chemistry","2012","51","","179","187","10.1021/ic201417y","","","0.71073","MoKα","","0.1071","0.0656","","","0.1528","0.1684","","","","","","1.021","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4328848","28.247","0.0003","28.247","0.0003","15.066","0.0003","90","","90","","120","","10410.5","0.3","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","Dy","","","- C24 H54 Dy N3 O11 P2 -","- C24 H54 Dy N3 O11 P2 -","- C288 H648 Dy12 N36 O132 P24 -","12","1.33333","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0589","0.0491","","","0.0944","0.1006","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328849","28.2812","0.0004","28.2812","0.0004","15.0594","0.0004","90","","90","","120","","10431.2","0.3","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","Er","","","- C32 H72 Er1.33 N4 O14.67 P2.67 -","- C32 H72 Er1.33333 N4 O14.6667 P2.66667 -","- C288 H648 Er12 N36 O132 P24 -","9","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0379","0.0324","","","0.0566","0.0587","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328850","28.2896","0.0004","28.2896","0.0004","15.0017","0.0003","90","","90","","120","","10397.4","0.3","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","Lu","","","- C32 H72 Lu1.33 N4 O14.67 P2.67 -","- C32 H72 Lu1.33333 N4 O14.6667 P2.66667 -","- C288 H648 Lu12 N36 O132 P24 -","9","1","","Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt","Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide","Inorganic Chemistry","2012","51","","4379","4389","10.1021/ic300142r","","","0.71073","MoKα","","0.0232","0.0225","","","0.0431","0.0433","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329469","13.9261","0.0006","13.9261","0.0006","29.5186","0.0016","90","","90","","120","","4957.8","0.4","180","2","180","2","","","","","","","","6","R 3 :H","R 3","146","","tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido) -tris(diethylisopropylphosphine)-methyl-tetra-copper-gallium","","- C58 H84 Cu4 Ga P3 Se6 -","- C58 H83.97 Cu4 Ga P3 Se6 -","- C174 H251.91 Cu12 Ga3 P9 Se18 -","3","0.333333","","Oliver Kluge; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis","Inorganic Chemistry","2012","51","","6655","6666","10.1021/ic300278v","","","0.71073","MoKα","","0.0401","0.039","","","0.106","0.1069","","","","","","1.063","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4330043","24.418","0.004","24.418","0.004","13.727","0.003","90","","90","","120","","7088","2","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C28.66 H24 F6 N0.33 O6 P2 S2 Te -","- C28.6667 H24 F6 N0.333333 O6 P2 S2 Te -","- C258 H216 F54 N3 O54 P18 S18 Te9 -","9","1","","Jonathan W. Dube; Mikko M. Hänninen; Jason L. Dutton; Heikki M. Tuononen; Paul J. Ragogna","Homoleptic Pnictogen-Chalcogen Coordination Complexes","Inorganic Chemistry","2012","51","","8897","8903","10.1021/ic300892p","","","0.71073","MoKα","","0.0958","0.0722","","","0.1716","0.1897","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330044","24.606","0.002","24.606","0.002","13.9212","0.0012","90","","90","","120","","7299.4","1","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C28.66 H24 As2 F6 N0.33 O6 S2 Te -","- C28.6627 H24 As2 F6.003 N0.333333 O6 S2 Te -","- C257.964 H216 As18 F54.027 N3 O54 S18 Te9 -","9","1","","Jonathan W. Dube; Mikko M. Hänninen; Jason L. Dutton; Heikki M. Tuononen; Paul J. Ragogna","Homoleptic Pnictogen-Chalcogen Coordination Complexes","Inorganic Chemistry","2012","51","","8897","8903","10.1021/ic300892p","","","0.71073","MoKα","","0.0726","0.0543","","","0.1007","0.1074","","","","","","1.028","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4331094","10.042","0.002","10.042","0.002","35.268","0.009","90","","90","","120","","3080","1.2","120","2","120","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C32 H33 F6 N7 O12 S2 Zn -","- C31.99 H33 F6 N7 O12 S1.99 Zn -","- C95.97 H99 F18 N21 O36 S5.97 Zn3 -","3","0.333333","","Ashley M. McDaniel; Anthony K. Rappé; Matthew P. Shores","Structural and Electronic Comparison of 1st Row Transition Metal Complexes of a Tripodal Iminopyridine Ligand","Inorganic Chemistry","2012","51","","12493","12502","10.1021/ic301909u","","","0.71073","MoKα","","0.0461","0.0423","","","0.1247","0.128","","","","","","1.068","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4332616","43.6681","0.0013","43.6681","0.0013","28.6224","0.0007","90","","90","","120","","47268","2","173.1","","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C360 H642 Cl18 La18 N72 O177 -","- C360 H432 Cl16 La18 N72 O165 -","- C1080 H1296 Cl48 La54 N216 O495 -","3","0.333333","","Omata, Kenji; Hoshi, Nagayasu; Kabuto, Kuninobu; Kabuto, Chizuko; Sasaki, Yoichi","Largest Discrete Supramolecular Architecture Based on a Lanthanide Ion: [Lanthanum(III)18{N,N‘-bis(2-pyridylmethyl)-N,N‘-1,2-ethanediylbis(d-alaninate)}18(H2O)36]18+","Inorganic Chemistry","2006","45","14","5263","5265","10.1021/ic0605625","","","0.7107","MoKα","","0.0557","0.0541","","","0.1488","0.1501","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334677","9.935","0.0005","9.935","0.0005","9.5741","0.0008","90","","90","","120","","818.4","0.09","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","Trimethylsilylisonitrile/trimethylsilylnitrile galliumtrichloride adduct","","- C4 H9 Cl3 Ga N Si -","- C4 H9 Cl3 Ga N Si -","- C12 H27 Cl9 Ga3 N3 Si3 -","3","0.333333","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0215","0.0195","","","0.035","0.0353","","","","","","0.943","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334974","25.8858","0.0005","25.8858","0.0005","59.139","0.003","90","","90","","120","","34318","2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C364 H330 Cl24 Mn12 N74 O96 -","- C364 H324 Cl24 Mn12 N74 O96 -","- C1092 H972 Cl72 Mn36 N222 O288 -","3","0.333333","","Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong","Dodecanuclear Hexagonal-Prismatic M12L18 Coordination Cages by Subcomponent Self-assembly","Inorganic Chemistry","2013","52","","5648","5650","10.1021/ic400665m","","","1.54178","CuKα","","0.1253","0.1059","","","0.2702","0.293","","","","","","1.015","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4336688","20.874","0.003","20.874","0.003","16.263","0.003","90","","90","","120","","6136.8","1.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C57 H101 N10 O23 Sm3 -","- C57 H95 N9 O20 Sm3 -","- C171 H285 N27 O60 Sm9 -","3","0.333333","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0554","0.0471","","","0.1235","0.1266","","","","","","1.03","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4337134","15.1399","0.0009","15.1399","0.0009","11.2499","0.0017","90","","90","","120","","2233.2","0.4","100","","100","","","","","","","","synthesis as described","5","R 3 :H","R 3","146","","","","- C27 H34 N6 Ru Si3 -","- C27 H34 N6 Ru Si3 -","- C81 H102 N18 Ru3 Si9 -","3","0.333333","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0176","0.0173","","","0.0419","0.0421","","","","","","1.058","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337774","22.6662","0.0016","22.6662","0.0016","7.2085","0.0005","90","","90","","120","","3207.3","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- B11 Ga4.5 H10.5 O28.5 -","- B11 Ga4.5 H10.5 O28.5 -","- B66 Ga27 H63 O171 -","6","0.666667","","Gao, Wenliang; Jing, Yan; Yang, Jia; Zhou, Zhengyang; Yang, Dingfeng; Sun, Junliang; Lin, Jianhua; Cong, Rihong; Yang, Tao","Open-Framework Gallium Borate with Boric and Metaboric Acid Molecules inside Structural Channels Showing Photocatalysis to Water Splitting.","Inorganic chemistry","2014","53","5","2364","2366","10.1021/ic403175w","","","0.71073","MoKα","","0.0946","0.0645","","","0.1193","0.1357","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338392","27.55","0.02","27.55","0.02","12.754","0.011","90","","90","","120","","8383","11","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C38 H58 Cl Fe N2 O2 -","- C38 H58 Cl Fe N2 O2 -","- C342 H522 Cl9 Fe9 N18 O18 -","9","1","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.05","0.0437","","","0.1084","0.1127","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338670","18.515","0.001","18.515","0.001","16.7999","0.0009","90","","90","","120","","4987.5","0.5","100","1","100","1","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H108 Ce2 N12 Si12 -","- C36 H108 Ce2 N12 Si12 -","- C108 H324 Ce6 N36 Si36 -","3","0.333333","","Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds.","Inorganic chemistry","2014","53","12","6338","6345","10.1021/ic500969r","","","0.71073","MoKα","","0.0126","0.0116","","","0.0309","0.0398","","","","","","1.257","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4339244","17.6017","0.0014","17.6017","0.0014","21.056","0.002","90","","90","","120","","5649.6","0.8","295","2","295","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C38 H54 Cl4 Fe2 N48 O20 -","- C37.98 H53.94 Cl4 Fe2 N48 O19.99 -","- C113.94 H161.82 Cl12 Fe6 N144 O59.97 -","3","0.333333","","Bronisz, Robert","Tetrazol-2-yl as a donor group for incorporation of a spin-crossover function based on Fe(II) ions into a coordination network.","Inorganic chemistry","2007","46","16","6733","6739","10.1021/ic070223r","","","0.71073","MoKα","","0.0848","0.068","","","0.1892","0.2062","","","","","","1.041","","","","has coordinates,has disorder","179495","2020-10-21","18:00:00",""
"4339245","17.2576","0.0008","17.2576","0.0008","20.8493","0.0013","90","","90","","120","","5377.5","0.5","90","2","90","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C38 H54 Cl4 Fe2 N48 O20 -","- C37.98 H53.94 Cl4 Fe2 N48 O19.99 -","- C113.94 H161.82 Cl12 Fe6 N144 O59.97 -","3","0.333333","","Bronisz, Robert","Tetrazol-2-yl as a donor group for incorporation of a spin-crossover function based on Fe(II) ions into a coordination network.","Inorganic chemistry","2007","46","16","6733","6739","10.1021/ic070223r","","","0.71073","MoKα","","0.0544","0.052","","","0.1413","0.1437","","","","","","1.053","","","","has coordinates,has disorder","179495","2020-10-21","18:00:00",""
"4339246","17.6018","0.0008","17.6018","0.0008","21.0633","0.0014","90","","90","","120","","5651.6","0.5","295","2","230","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C38 H54 Cl4 Fe2 N48 O20 -","- C37.98 H53.94 Cl4 Fe2 N48 O19.99 -","- C113.94 H161.82 Cl12 Fe6 N144 O59.97 -","3","0.333333","","Bronisz, Robert","Tetrazol-2-yl as a donor group for incorporation of a spin-crossover function based on Fe(II) ions into a coordination network.","Inorganic chemistry","2007","46","16","6733","6739","10.1021/ic070223r","","","0.71073","MoKα","","0.0772","0.0672","","","0.1932","0.204","","","","","","1.074","","","","has coordinates,has disorder","179495","2020-10-21","18:00:00",""
"4339247","11.869","0.003","11.869","0.003","19.284","0.004","90","","90","","120","","2352.6","1","250","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C15 H24 Cl2 Fe N24 O8 -","- C15 H24 Cl2 Fe N24 O8 -","- C45 H72 Cl6 Fe3 N72 O24 -","3","0.333333","","Bronisz, Robert","Tetrazol-2-yl as a donor group for incorporation of a spin-crossover function based on Fe(II) ions into a coordination network.","Inorganic chemistry","2007","46","16","6733","6739","10.1021/ic070223r","","","0.71073","MoKα","","0.0793","0.0678","","","0.1713","0.1887","","","","","","1.15","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4339248","11.7898","0.0009","11.7898","0.0009","19.0756","0.0013","90","","90","","120","","2296.3","0.3","90","2","90","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C15 H24 Cl2 Fe N24 O8 -","- C15 H24 Cl2 Fe N24 O8 -","- C45 H72 Cl6 Fe3 N72 O24 -","3","0.333333","","Bronisz, Robert","Tetrazol-2-yl as a donor group for incorporation of a spin-crossover function based on Fe(II) ions into a coordination network.","Inorganic chemistry","2007","46","16","6733","6739","10.1021/ic070223r","","","0.71073","MoKα","","0.0503","0.044","","","0.1082","0.1108","","","","","","1.021","","","","has coordinates","179495","2020-10-21","18:00:00",""
"4344386","11.338","","11.338","","13.386","","90","","90","","120","","1490.23","","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Co2 Ge3 S3 -","- Co2 Ge3 S3 -","- Co24 Ge36 S36 -","12","1.33333","","Korenstein, R.; Wold, A.; Soled, S.; Collin, G.","Preparation and characterization of the skutterudite-related phases Co Ge1.5 S1.5 and Co Ge1.5 Se1.5","Inorganic Chemistry","1977","16","","2344","2346","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4346898","25.3735","0.0009","25.3735","0.0009","12.8546","0.0006","90","","90","","120","","7167.2","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H25 N15 O2 Zn2 -","- C18 H25 N15 O2 Zn2 -","- C162 H225 N135 O18 Zn18 -","9","1","","Wang, Fei; Tang, Yu-Huan; Zhang, Jian","Achievement of Bulky Homochirality in Zeolitic Imidazolate-Related Frameworks.","Inorganic chemistry","2015","54","23","11064","11066","10.1021/acs.inorgchem.5b02337","","","1.54184","CuKα","","0.0439","0.0405","","","0.11","0.1134","","","","","","1.04","","","","has coordinates","232053","2020-10-21","18:00:00",""
"4346899","25.4125","0.0007","25.4125","0.0007","12.9771","0.0015","90","","90","","120","","7257.8","0.9","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H25 N15 O2 Zn2 -","- C18 H25 N15 O2 Zn2 -","- C162 H225 N135 O18 Zn18 -","9","1","","Wang, Fei; Tang, Yu-Huan; Zhang, Jian","Achievement of Bulky Homochirality in Zeolitic Imidazolate-Related Frameworks.","Inorganic chemistry","2015","54","23","11064","11066","10.1021/acs.inorgchem.5b02337","","","1.54178","CuKα","","0.0374","0.0346","","","0.0878","0.0903","","","","","","1.012","","","","has coordinates","232053","2020-10-21","18:00:00",""
"4349425","18.616","0.005","18.616","0.005","37.566","0.005","90","0.005","90","0.005","120","0.005","11275","5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C21 H16 Cu2 N2 O10 -","- C21 H16 Cu2 N2 O10 -","- C189 H144 Cu18 N18 O90 -","9","1","","Gupta, Anoop K.; De, Dinesh; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Synthesis of a NbO Type Homochiral Cu(II) Metal-Organic Framework: Ferroelectric Behavior and Heterogeneous Catalysis of Three-Component Coupling and Pechmann Reactions.","Inorganic chemistry","2017","56","8","4698","4706","10.1021/acs.inorgchem.7b00342","","","0.71069","MoKα","","0.0916","0.0674","","","0.1691","0.1944","","","","","","1.021","","","","has coordinates","233980","2020-10-21","18:00:00",""
"4350386","11.786","0.002","11.786","0.002","31.507","0.008","90","","90","","120","","3790.3","1.3","247","2","247","2","","","","","","","","7","R 3 :H","R 3","146","complex 10 (Maldonado) [(TpFu,MeZn)2(OH)](ClO4)","Bis(hydrotris(3-(2’-furyl)-5-methylpyrazol-1-yl)borate zinc) hydroxyde","","- C48 H45 B2 Cl N12 O11 Zn2 -","- C48 H44 B2 Cl N12 O10.99 Zn2 -","- C144 H132 B6 Cl3 N36 O32.97 Zn6 -","3","0.333333","","Ibrahim, Mohamed M.; Olmo, Cristina Pérez; Tekeste, Teame; Seebacher, Jan; He, Guosen; Maldonado Calvo, José A; Böhmerle, Karin; Steinfeld, Gunther; Brombacher, Horst; Vahrenkamp, Heinrich","Zn-OH2 and Zn-OH complexes with hydroborate-derived tripod ligands: a comprehensive study.","Inorganic chemistry","2006","45","18","7493","7502","10.1021/ic060752f","","","0.71073","MoKα","","0.095","0.0576","","","0.1462","0.1816","","","","","","1.129","","","","has coordinates,has disorder","239866","2020-10-21","18:00:00",""
"4350489","14.4874","0.001","14.4874","0.001","28.525","0.004","90","","90","","120","","5184.9","0.9","298","2","298","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C48 H48 Ag3 F18 N12 S6 Sb3 -","- C48 H48 Ag3 F18 N12 S6 Sb3 -","- C144 H144 Ag9 F54 N36 S18 Sb9 -","3","0.333333","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Huang, Ru-Qi","A novel cascade supramolecular complex with a reversible nanosized 18-component H-bonded {(C6H6)6(SbF6)12}12- cage unit templated by a chiral metal-organic complex.","Inorganic chemistry","2006","45","23","9157","9159","10.1021/ic061005l","","","0.71073","MoKα","","0.0604","0.0576","","","0.1698","0.1723","","","","","","1.078","","","","has coordinates","239908","2020-10-21","18:00:00",""
"4350490","14.459","0.01","14.459","0.01","28.49","0.018","90","","90","","120","","5158","6","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C16 H16 Ag F6 N4 S2 Sb -","- C16 H16 Ag F6 N4 S2 Sb -","- C144 H144 Ag9 F54 N36 S18 Sb9 -","9","1","","Dong, Yu-Bin; Wang, Le; Ma, Jian-Ping; Huang, Ru-Qi","A novel cascade supramolecular complex with a reversible nanosized 18-component H-bonded {(C6H6)6(SbF6)12}12- cage unit templated by a chiral metal-organic complex.","Inorganic chemistry","2006","45","23","9157","9159","10.1021/ic061005l","","","0.71073","MoKα","","0.0636","0.0581","","","0.1586","0.1637","","","","","","1.044","","","","has coordinates","239908","2020-10-21","18:00:00",""
"4350764","14.3524","0.0007","14.3524","0.0007","19.1378","0.0008","90","","90","","120","","3414.1","0.3","293","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H31.98 N12 O25 Sm2 -","- C33 H31.98 N12 O25 Sm2 -","- C99 H95.94 N36 O75 Sm6 -","3","0.333333","","Shu, Yu-Bo; Tang, Xiao-Liang; Liu, Wei-Sheng","Sm and Eu(iii) lanthanide triple helicate cages based on N,N′-methylene-bis(pyridin-4-one)","Inorg. Chem. Front.","2014","1","3","226","","10.1039/C3QI00089C","","","0.71073","MoKα","","0.0233","0.0209","","","0.0383","0.0389","","","","","","0.983","","","","has coordinates","244427","2020-10-21","18:00:00",""
"4350765","14.359","0.002","14.359","0.002","19.115","0.004","90","","90","","120","","3413.1","1","296","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H31.98 Eu2 N12 O25 -","- C33 H31.98 Eu2 N12 O25 -","- C99 H95.94 Eu6 N36 O75 -","3","0.333333","","Shu, Yu-Bo; Tang, Xiao-Liang; Liu, Wei-Sheng","Sm and Eu(iii) lanthanide triple helicate cages based on N,N′-methylene-bis(pyridin-4-one)","Inorg. Chem. Front.","2014","1","3","226","","10.1039/C3QI00089C","","","0.71073","MoKα","","0.0822","0.0661","","","0.1345","0.143","","","","","","1.096","","","","has coordinates","244427","2020-10-21","18:00:00",""
"4502140","26.5157","0.0005","26.5157","0.0005","7.59654","0.00018","90","","90","","120","","4625.44","0.17","153.1","","153","","","","","","","","","5","R 3 :H","R 3","146","","","","- C20 H31 B N2 O3 -","- C20 H31 B N2 O3 -","- C180 H279 B9 N18 O27 -","9","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0501","","","","0.1435","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502142","26.3708","0.0008","26.3708","0.0008","7.4637","0.0003","90","","90","","120","","4495","0.3","123.1","","153","","","","","","","","","5","R 3 :H","R 3","146","","","","- C20.5 H29 B N2 O2.5 -","- C20.5 H29 B N2 O2.5 -","- C184.5 H261 B9 N18 O22.5 -","9","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.057","","","","0.1704","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504504","13.738","0.0002","13.738","0.0002","32.7248","0.0001","90","","90","","120","","5348.78","0.11","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C69 H63 Cl2 Cu2 N9 O8 P2 -","- C69 H63 Cl2 Cu2 N9 O7.98 P2 -","- C207 H189 Cl6 Cu6 N27 O23.94 P6 -","3","0.333333","","Song, Yu-Mei; Zhou, Ting; Wang, Xi-Sen; Li, Xiao-Nian; Xiong, Ren-Gen","Resolution of a Racemic Small Molecular Alcohol by a Chiral Metal−Organic Coordination Polymer through Intercalation","Crystal Growth & Design","2006","6","1","14","","10.1021/cg050239x","","","0.71073","MoKα","","0.1468","0.0703","","","0.1457","0.1773","","","","","","0.928","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504505","13.7282","0.0004","13.7282","0.0004","32.7155","0.0012","90","","90","","120","","5339.6","0.3","295","2","295","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C75 H78 Cl2 Cu2 N9 O9.5 P2 -","- C75 H63 Cl2 Cu2 N9 O9.42 P2 -","- C225 H189 Cl6 Cu6 N27 O28.26 P6 -","3","0.333333","","Song, Yu-Mei; Zhou, Ting; Wang, Xi-Sen; Li, Xiao-Nian; Xiong, Ren-Gen","Resolution of a Racemic Small Molecular Alcohol by a Chiral Metal−Organic Coordination Polymer through Intercalation","Crystal Growth & Design","2006","6","1","14","","10.1021/cg050239x","","","0.71073","MoKα","","0.1008","0.0454","","","0.0605","0.0663","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4513708","14.3346","0.0003","14.3346","0.0003","31.2665","0.0013","90","","90","","120","","5563.9","0.3","120","2","120","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C74.33 Cl6 Fe O12 P3 -","- C72 H45 Cl6 Fe O12 P3.003 -","- C216 H135 Cl18 Fe3 O36 P9.009 -","3","0.333333","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1551","0.1175","","","0.3126","0.3487","","","","","","1.204","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4514496","21.114","0.002","21.114","","44.213","0.005","90","","90","","120","","17070","3","298","2","298","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C126 H210 Cl4 K Na7 O154 Si W12 -","- C126 H201 Cl4 K Na7 O154 Si W12 -","- C378 H603 Cl12 K3 Na21 O462 Si3 W36 -","3","0.333333","","Ni, Lubin; Li, Huan; Xu, Hongjie; Shen, Chao; Liu, Ruzhang; Xie, Ju; Zhang, Fengmin; Chen, Chong; Zhao, Hongxia; Zuo, Tongfei; Diao, Guowang","Self-Assembled Supramolecular Polyoxometalate Hybrid Architecture as a Multifunctional Oxidation Catalyst.","ACS applied materials & interfaces","2019","11","42","38708","38718","10.1021/acsami.9b12531","","","0.71073","MoKα","","0.0393","0.0318","","","0.0878","0.0925","","","","","","1.026","","","","has coordinates","287896","2023-11-30","16:33:03",""
"4515890","18.8375","0.0014","18.8375","0.0014","22.4956","0.0019","90","","90","","120","","6913.1","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.038","0.0307","","","0.0698","0.0743","","","","","","1.007","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515891","18.9827","0.0005","18.9827","0.0005","22.7666","0.0014","90","","90","","120","","7104.7","0.5","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0497","0.0387","","","0.0935","0.1017","","","","","","1.034","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4516085","28.322","0.002","28.322","0.002","9.9011","0.001","90","","90","","120","","6878","1","295.15","","295","2","","","","","","","","7","R 3 :H","R 3","146","(pyridine)(acetonitrile)3-Ru(II)-phenyloxazoline","","","- C26.67 H27 F6 N5.33 O P Ru -","- C26.66 H26 F6 N5.33 O P Ru -","- C239.94 H234 F54 N47.97 O9 P9 Ru9 -","9","1","","Nakagawa, Yoko; Imokawa, Yusuke; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Chanthamath, Soda; Shibatomi, Kazutaka; Iwasa, Seiji","Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions.","ACS omega","2018","3","9","11286","11289","10.1021/acsomega.8b01510","","x-ray","0.71069","MoKα","","0.0637","0.0534","","","0.1327","0.1438","","","","","","1.079","","","","has coordinates","226098","2020-10-21","18:00:00",""
"4516200","8.92","0.004","8.92","0.004","10.934","0.004","90","","90","","120","","753.4","0.6","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C1.4 H6.2 I3 N1.6 O0.4 Sn -","- C2.01 I3 N1.34 Sn -","- C6.03 I9 N4.02 Sn3 -","3","0.333333","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0844","0.0802","","","0.2229","0.2287","","","","","","1.296","","","","has coordinates","226187","2020-10-21","18:00:00",""
"4516651","14.1755","0.0008","14.1755","0.0008","9.5058","0.0011","90","","90","","120","","1654.2","0.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H12 In N0 O7 P -","- C21 H12 In O7 P -","- C63 H36 In3 O21 P3 -","3","0.333333","","Du, Xi; Fan, Ruiqing; Qiang, Liangsheng; Xing, Kai; Ye, Haoxin; Ran, Xinya; Song, Yang; Wang, Ping; Yang, Yulin","Controlled Zn<sup>2+</sup>-Triggered Drug Release by Preferred Coordination of Open Active Sites within Functionalization Indium Metal Organic Frameworks.","ACS applied materials & interfaces","2017","9","34","28939","28948","10.1021/acsami.7b09227","","","0.71073","MoKα","","0.0199","0.0199","","","0.0428","0.0428","","","","","","1.004","","","","has coordinates","239428","2020-10-21","18:00:00",""
"4517797","14.0505","0.0005","14.0505","0.0005","21.0782","0.0008","90","","90","","120","","3603.7","0.2","138","3","138","3","","","","","","","","8","R 3 :H","R 3","146","","","","- C28.5 H58.5 Ba Br6 N1.5 O13.5 Rb Sb -","- C28.5 H58.5 Ba Br6 N1.5 O13.5 Rb Sb -","- C85.5 H175.5 Ba3 Br18 N4.5 O40.5 Rb3 Sb3 -","3","0.333333","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0324","0.0257","","","0.0596","0.0618","","","","","","1.062","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4518323","38.8146","0.0015","38.8146","0.0015","11.1146","0.0004","90","","90","","120","","14501.6","0.9","273","2","273","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C414 H204 O232 Tb30 -","- C414 H162 O232.5 Tb30 -","- C414 H162 O232.5 Tb30 -","1","0.111111","","Chai, Hong-mei; Zhang, Gang-qiang; Jiao, Chun-xia; Ren, Yi-xia; Gao, Lou-jun","A Multifunctional Tb-MOF Detector for H2O2, Fe3+, Cr2O72‒, and TPA Explosive Featuring Coexistence of Binuclear and Tetranuclear Clusters","ACS Omega","2020","5","51","33039","33046","10.1021/acsomega.0c04526","","","0.71073","MoKα","","0.0351","0.034","","","0.1143","0.1153","","","","","","1.032","","","","has coordinates","260410","2021-01-04","03:04:12",""
"4518404","4.5319","0.0003","4.5319","0.0003","29.629","0.002","90","","90","","120","","527","0.06","193","2","193","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C2 H2 I2 N O2 Pb -","- C1.9998 H1.9998 I2 N0.9999 O1.9998 Pb -","- C5.9994 H5.9994 I6 N2.9997 O5.9994 Pb3 -","3","0.333333","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","1.34139","GaKα","","0.0945","0.0876","","","0.2468","0.2754","","","","","","1.141","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"7000252","16.0519","0.0004","16.0519","0.0004","11.0188","0.0002","90","","90","","120","","2458.77","0.1","150","2","150","2","","","","","","","synthesis as described","7","R 3 :H","R 3","146","Chisholm 1614","","","- C27 H49 B N6 O4 Si Zn -","- C27 H49 B N6 O4 Si Zn -","- C81 H147 B3 N18 O12 Si3 Zn3 -","3","0.333333","","Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah","Synthesis and coordination chemistry of TpC*MI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC* = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate","Dalton Transactions","2009","","2","368","374","10.1039/b812228h","","x-ray","0.71073","MoKα","","0.0211","0.0201","","","0.0424","0.0427","","","","","","1.051","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000772","13.73","0.002","13.73","0.002","32.236","0.006","90","","90","","120","","5262.8","1.5","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C66 H75 Cl3 N13 O15 Tb -","- C66 H75 Cl3 N13 O15 Tb -","- C198 H225 Cl9 N39 O45 Tb3 -","3","0.333333","","Pan, Mei; Zheng, Xiang-Li; Liu, Yu; Liu, Wei-Sheng; Su, Cheng-Yong","Structural and photoluminescent studies of lanthanide complexes with tripodal triRNTB (N-substituted tris(benzimidazol-2-ylmethyl)amine): ligand substituent, anionic and secondary ligand effects","Dalton Transactions","2009","","12","2157","2169","10.1039/b818322h","","","0.71073","MoKα","","0.0431","0.0424","","","0.103","0.1034","","","","","","1.092","","","","has coordinates,has disorder","179685","2020-10-21","18:00:00",""
"7001070","25.531","0.002","25.531","0.002","21.106","0.003","90","","90","","120","","11914","2","295","2","295","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C150 H108 O12 P6 Pd6 -","- C150 H108 O12 P6 Pd6 -","- C450 H324 O36 P18 Pd18 -","3","0.333333","","Koshevoy, Igor O.; Gutierrez-Puebla, Enrique; Lahuerta, Pascual; Monge, Angeles; Ubeda, M.Angeles; Sanaú, Mercedes","Isolation of enantiomerically pure organometallic palladium compounds: synthesis of the triangles prepared from enantiopure [cis-Pd2(C6H4PPh2)2(NCCH3)4]2+","Dalton Transactions","2009","","16","2993","2998","10.1039/b816803b","","","0.71073","MoKα","","0.0974","0.0783","","","0.192","0.2036","","","","","","1.014","","","","has coordinates","179688","2020-10-21","18:00:00",""
"7002430","17.6833","0.0009","17.6833","0.0009","11.4829","0.0005","90","","90","","120","","3109.6","0.3","200","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C37 H18 Cl12 O6 P2 -","- C37 H18 Cl12 O6 P2 -","- C111 H54 Cl36 O18 P6 -","3","0.333333","","Abdalilah, Mohammed; Zurawinski, Remigiuz; Canac, Yves; Laleu, Benoît; Lacour, Jérôme; Lepetit, Christine; Magro, Germinal; Bernardinelli, Gérald; Donnadieu, Bruno; Duhayon, Carine; Mikolajczyk, Marian; Chauvin, Remi","Vicinal diphosphoniums: electrostatic repulsion under covalent constraint","Dalton Transactions","2009","","40","8493","8508","10.1039/b903933c","","","0.71073","MoKα","","","0.024","","","","0.024","","","","","","1.28","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002862","7.9412","0.0001","7.9412","0.0001","21.5191","0.0005","90","","90","","120","","1175.24","0.03","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C6 H12 Cr N3 O12 -","- C6 H12 Cr N3 O12 -","- C18 H36 Cr3 N9 O36 -","3","0.333333","","Sengupta, Oindrila; Song, You; Mukherjee, Partha Sarathi","Co(ii) and Cr(iii) complexes of formate‒formamide mixed ligands: synthesis, structures, single crystal-to-single crystal transformation and magnetic behaviour","Dalton Transactions","2009","","46","10343","10352","10.1039/b916878h","","","0.71073","MoKα","","0.0757","0.073","","","0.2175","0.2226","","","","","","1.165","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7004666","40.194","0.002","40.194","0.002","19.195","0.003","90","","90","","120","","26856","5","150","","150","","","","","","","","","7","R 3 :H","R 3","146","","","","- C112 H330 Ag24 I48 O56 S56 Y8 -","- C112 H329.999 Ag24 I48 O55.9998 S56 Y8 -","- C336.001 H989.998 Ag72 I144 O167.999 S168 Y24 -","3","0.333333","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Ledoux, Gilles","Reactions of metal iodides as a simple route to heterometallics: synthesis, structural transformations, thermal and luminescent properties of novel hybrid iodoargentate derivatives templated by [YL8]3+ or [YL7]3+ cations (L = DMF or DMSO)","Dalton Transactions","2008","","44","6296","6304","10.1039/B809964B","","","0.71069","MoKα","","0.1683","0.0725","","0.1896","0.0722","0.0648","","","","","","1.1494","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005092","14.5312","0.0009","14.5312","0.0009","18.233","0.002","90","","90","","120","","3334.2","0.5","243","2","243","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C15 H16 B N6 O3 Re Se3 -","- C15 H16 B N6 O3 Re Se3 -","- C90 H96 B6 N36 O18 Re6 Se18 -","6","0.666667","","Landry, Victoria K.; Buccella, Daniela; Pang, Keliang; Parkin, Gerard","Bis- and tris(2-seleno-1-methylimidazolyl)hydroborato complexes, {[BseMe]ZnX}2(X=Cl, I), [BseMe]2Zn and [TseMe]Re(CO)3: structural evidence that the [BseMe] ligand is not merely a ""heavier"" version of the sulfur counterpart, [BmMe].","Dalton transactions (Cambridge, England : 2003)","2007","","8","866","870","10.1039/b616630j","","","0.71073","MoKα","","0.0616","0.034","","","0.0587","0.0665","","","","","","1.056","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7006713","16.5805","0.0008","16.5805","0.0008","22.0774","0.0015","90","","90","","120","","5256.2","0.5","100","2","100","2","","","","","","","synthesized","6","R 3 :H","R 3","146","","","","- C24 H39 Cl3 Fe N10 O13.5 -","- C24 H39 Cl3 Fe N10 O13.5 -","- C144 H234 Cl18 Fe6 N60 O81 -","6","0.666667","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Noll, Bruce C.; Scheidt, W. Robert; Viragh, Carol; Zavalij, Peter Y.; Zielaski, Daniel","Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1009","1019","10.1039/b513282g","","x-ray","0.71073","MoKα","","0.0367","0.0367","","","0.0962","0.0962","","","","","","1.071","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7006985","17.1523","0.0003","17.1523","0.0003","9.2856","0.0004","90","","90","","120","","2365.84","0.12","193","2","193","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C22 H49 Mo O3 P3 Si3 -","- C22 H49 Mo O3 P3 Si3 -","- C66 H147 Mo3 O9 P9 Si9 -","3","0.333333","","Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa","Tuning ""kappticity"" of tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","22","2671","2682","10.1039/b516127d","","","0.71073","MoKα","","0.0178","0.0178","","","0.0445","0.0445","","","","","","1.108","","","","has coordinates,has disorder","179773","2020-10-21","18:00:00",""
"7008688","16.2864","0.0007","16.2864","0.0007","12.9249","0.0011","90","","90","","120","","2969","0.3","213","2","213","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C39 H49 B Cu N6 P S3 -","- C39 H49 B Cu N6 P S3 -","- C117 H147 B3 Cu3 N18 P3 S9 -","3","0.333333","","Patel, Denish V.; Mihalcik, David J.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Kassel, W. Scott; Rheingold, Arnold L.; Rabinovich, Daniel","Tris(mercaptoimidazolyl)borate complexes of the coinage metals: syntheses and molecular structures of the first gold compounds and related copper and silver derivatives.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2410","2416","10.1039/b506046j","","","0.71073","MoKα","","0.044","0.0427","","","0.0992","0.1","","","","","","1.036","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7009588","12.698","0.002","12.698","0.002","6.858","0.001","90","","90","","120","","957.6","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C12 H12 Cr O6 -","- C12 H12 Cr O6 -","- C36 H36 Cr3 O18 -","3","0.333333","","Christofi, A. Maria; Garratt, Peter J.; Hogarth, Graeme; Steed, Jonathan W.","Synthesis and structures of chromium tricarbonyl complexes of benzylic halides and benzylic alcohols †","Journal of the Chemical Society, Dalton Transactions","2000","","13","2137","","10.1039/b002142n","","","0.71073","MoKα","","0.0239","0.0231","","0.0653","0.0586","","","","1.026","1.027","1.027","","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009835","21.231","0.002","21.231","0.002","18.627","0.003","90","","90","","120","","7271.3","1.5","293","","293","","","","","","","","","8","R 3 :H","R 3","146","","","","- C23.333 H36 As4 Cl2 Co F6 O0.666 P -","- C23.3323 H32 As4 Cl2 Co F6 O0.666333 P -","- C209.991 H288 As36 Cl18 Co9 F54 O5.997 P9 -","9","1","","Doyle, Roy J.; Habermehl, Nicole; Salem, Geoffrey; Willis, Anthony C.","Synthesis of chiral multidentate tertiary arsines with As4 or As6 donor atoms","Journal of the Chemical Society, Dalton Transactions","2000","","20","3603","","10.1039/b003981k","","","1.5418","CuKα","","0.043","0.035","","0.04","","0.036","","","1.332","","","1.288","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010212","13.6687","0.0002","13.6687","0.0002","32.4627","0.0008","90","","90","","120","","5252.54","0.17","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C70 H64 Cl5 Cu2 N9 O8 P2 -","- C70 H64 Cl5 Cu2 N9 O8 P2 -","- C210 H192 Cl15 Cu6 N27 O24 P6 -","3","0.333333","","Chen, Zhen-Feng; Xiong, Ren-Gen; Zhang, Jing; Zuo, Jing-Lin; You, Xiao-Zeng; Che, Chi-Ming; Fun, Hoong-Kun","The first chiral 2-D molecular triangular grid †","Journal of the Chemical Society, Dalton Transactions","2000","","22","4010","","10.1039/b007004l","","","0.71073","MoKα","","0.1005","0.0563","","","0.1236","0.1404","","","","","","0.947","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010259","31.6","0.004","31.6","0.004","12.7","0.003","90","","90","","120","","10983","3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H48 N2 O10 Rh2 -","- C36 H48 N2 O10 Rh2 -","- C324 H432 N18 O90 Rh18 -","9","1","","Bonar-Law, Richard P.; McGrath, Thomas D.; Singh, Nirmal; Bickley, Jamie F.; Femoni, Cristina; Steiner, Alexander","Dirhodium(II) carboxylates as building blocks. Synthesis and structures of cis-chelate complexes","Journal of the Chemical Society, Dalton Transactions","2000","","23","4343","","10.1039/b007428o","","","0.71073","MoKα","","0.0615","0.0469","","","0.1239","0.1422","","","","","","1.129","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010684","20.397","0.0018","20.397","0.0018","17.347","0.003","90","","90","","120","","6250.1","1.3","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C45 H49 B N9 Tl -","- C45 H49 B N9 Tl -","- C270 H294 B6 N54 Tl6 -","6","0.666667","","Motson, Graham R.; Mamula, Olimpia; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; von Zelewsky, Alex","A C3-symmetric chiral hexadentate podand ligand based on a tris(pyrazolyl)borate core","Journal of the Chemical Society, Dalton Transactions","2001","","9","1389","","10.1039/b102295b","","","0.71073","MoKα","","0.0327","0.0261","","","0.0489","0.0502","","","","","","0.921","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010775","16.4877","0.0002","16.4877","0.0002","38.2484","0.0004","90","","90","","120","","9004.59","0.18","133","2","133","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C62.2 H119.4 Ni3 O22.3 P13 Pd29 -","- C62.2 H119.4 Ni3 O22.3 P13 Pd29 -","- C186.6 H358.2 Ni9 O66.9 P39 Pd87 -","3","0.333333","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.0372","0.0342","","","0.0836","0.0877","","","","","","1.19","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011742","26.797","0.004","26.797","0.004","7.3661","0.0015","90","","90","","120","","4580.8","1.3","123","2","123","2","","","","","","","","4","R 3 :H","R 3","146","dilithio - (s)-N-(alpha-benzylmethyl)allylamide","","","- C11 H13 Li2 N -","- C11 H13 Li2 N -","- C198 H234 Li36 N18 -","18","2","","Andrews, Philip C.; Calleja, Simone M.; Maguire, Melissa","Solid state structures of homo- and hetero-bimetallic alkali metal complexes containing the dianion of (S)-N-(??-methylbenzyl)allylamine","Journal of the Chemical Society, Dalton Transactions","2002","","18","3640","","10.1039/b203470k","","","0.71073","MoKα","","0.0989","0.0485","","","0.1136","0.1383","","","","","","0.805","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7012606","7.0898","0.001","7.0898","0.001","51.178","0.01","90","","90","","120","","2227.8","0.6","200","2","200","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C6 H24 N9 P3 -","- C5.97 H23.88 N8.955 P2.985 -","- C35.82 H143.28 N53.73 P17.91 -","6","0.666667","","Bickley, Jamie F.; Bonar-Law, Richard; Lawson, Gavin T.; Richards, Philip I.; Rivals, Frederic; Steiner, Alexander; Zacchini, Stefano","Supramolecular variations on a molecular theme: the structural diversity of phosphazenes (RNH)6P3N3 in the solid state","Dalton Transactions","2003","","7","1235","","10.1039/b212308h","","","0.71073","MoKα","","0.1086","0.0989","","","0.2467","0.2657","","","","","","0.998","","","","has coordinates,has disorder","179830","2020-10-21","18:00:00",""
"7012820","15.7846","0.0006","15.7846","0.0006","15.839","0.002","90","","90","","120","","3417.6","0.5","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H45 Ge Li O3 -","- C60 H45 Ge Li O3 -","- C180 H135 Ge3 Li3 O9 -","3","0.333333","","Weinert, Charles S.; Fanwick, Phillip E.; Rothwell, Ian P.","Synthesis and structures of the group 1 metal/germanium cage complexes [M(µ-OC6H3Ph2-2,6)3Ge] (M = Li, Na, K, Rb, Cs); periodic trends and alkali metal dependent arene bonding","Dalton Transactions","2003","","9","1795","","10.1039/b301623d","","","0.71073","MO-Kα","","","0.031","","","","0.061","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014732","11.462","0.002","11.462","0.002","17.651","0.005","90","","90","","120","","2008.3","0.8","153","2","153","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H45 N3 O4 Zn4 -","- C17 H44.94 N3 O4 Zn4 -","- C51 H134.82 N9 O12 Zn12 -","3","0.333333","","Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.","Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1144","1157","10.1039/c0dt01100b","","","0.71073","MoKα","","0.0323","0.0304","","","0.0657","0.0662","","","","","","0.987","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7016123","19.171","0.012","19.171","0.012","7.848","0.003","90","","90","","120","","2498","2","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H36 N9 O3 P S -","- C33 H36 N9 O3 P S -","- C99 H108 N27 O9 P3 S3 -","3","0.333333","","Chandrasekhar, Vadapalli; Pandey, Mrituanjay D.; Gopal, Kandasamy; Azhakar, Ramachandran","Assembly of a dinuclear silver complex containing an Ag(2)S(2) motif from a phosphorus-supported trishydrazone ligand. P[double bond, length as m-dash]S→Ag(I) coordination.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7873","7878","10.1039/c1dt10294j","","","0.71073","MoKα","","0.0447","0.041","","","0.0992","0.1015","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017634","15.439","0.003","15.439","0.003","37.996","0.007","90","","90","","120","","7843","3","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C100 H172 N12 O16 -","- C99.99 H171.96 N12 O15.99 -","- C299.97 H515.88 N36 O47.97 -","3","0.333333","","Kobyłka, Michał J; Janczak, Jan; Lis, Tadeusz; Kowalik-Jankowska, Teresa; Kłak, Julia; Pietruszka, Marta; Lisowski, Jerzy","Trinuclear Cu(ii) complexes of a chiral N(6)O(3) amine.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1503","1511","10.1039/c1dt11286d","","","0.71073","MoKα","","0.1134","0.0739","","","0.1535","0.1684","","","","","","1.01","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017636","15.41","0.002","15.41","0.002","49.357","0.009","90","","90","","120","","10150","3","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C51 H72 Cu3 N6 O9 -","- C50.95 H69.93 Cu3 N6 O8.955 -","- C305.7 H419.58 Cu18 N36 O53.73 -","6","0.666667","","Kobyłka, Michał J; Janczak, Jan; Lis, Tadeusz; Kowalik-Jankowska, Teresa; Kłak, Julia; Pietruszka, Marta; Lisowski, Jerzy","Trinuclear Cu(ii) complexes of a chiral N(6)O(3) amine.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1503","1511","10.1039/c1dt11286d","","","0.71073","MoKα","","0.0951","0.0778","","","0.1851","0.1956","","","","","","1.146","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7018169","16.9942","0.0007","16.9942","0.0007","16.6654","0.0011","90","","90","","120","","4168.2","0.4","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C64 H43 Au3 B Cu F4 N3 P3 -","- C64 H43 Au3 B Cu F4 N3 P3 -","- C192 H129 Au9 B3 Cu3 F12 N9 P9 -","3","0.333333","","Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio","Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2941","2949","10.1039/c2dt11710j","","","0.71073","MoKα","","0.0292","0.0231","","","0.0416","0.0427","","","","","","0.9","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018170","17.1541","0.0008","17.1541","0.0008","16.764","0.0008","90","","90","","120","","4272.1","0.3","170","2","170","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C64 H52 Au3 B Cu F4 O3 P3 -","- C64 H52 Au3 B Cu F4 O3 P3 -","- C192 H156 Au9 B3 Cu3 F12 O9 P9 -","3","0.333333","","Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio","Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2941","2949","10.1039/c2dt11710j","","","0.71073","MoKα","","0.0319","0.0217","","","0.0395","0.0412","","","","","","0.857","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018171","17.1354","0.0007","17.1354","0.0007","17.8646","0.0008","90","","90","","120","","4542.7","0.3","210","2","210","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C67 H52 Au3 B Cu F4 O6 P3 -","- C67 H52 Au3 B Cu F3.34 O6 P3 -","- C201 H156 Au9 B3 Cu3 F10.02 O18 P9 -","3","0.333333","","Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio","Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2941","2949","10.1039/c2dt11710j","","","0.71073","MoKα","","0.0515","0.0273","","","0.0436","0.0469","","","","","","0.791","","","","has coordinates,has disorder","179885","2020-10-21","18:00:00",""
"7018364","43.3113","0.0017","43.3113","0.0017","10.111","0.0008","90","","90","","120","","16425.8","1.6","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","DP-2-96-1 cyclohexyl Ni quinoline imine Ni(OTf)","","- C64 H72 I3.2 N8 Ni2 O0.8 -","- C64 H72 I3.2 N8 Ni2 O0.8 -","- C576 H648 I28.8 N72 Ni18 O7.2 -","9","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.1615","0.0883","","","0.2337","0.2763","","","","","","0.941","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018929","9.602","0.0001","9.602","0.0001","8.6889","0.0002","90","","90","","120","","693.775","0.019","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge S6 -","- Ba Ga2.01 Ge0.99 S6 -","- Ba3 Ga6.03 Ge2.97 S18 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0177","0.0176","","","0.0386","0.0387","","","","","","0.856","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018930","10.0075","0.0014","10.0075","0.0014","9.0903","0.0018","90","","90","","120","","788.4","0.2","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Ge Se6 -","- Ba Ga2.01 Ge0.99 Se6 -","- Ba3 Ga6.03 Ge2.97 Se18 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0288","0.0266","","","0.0505","0.0509","","","","","","0.846","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018931","9.5544","0.0002","9.5544","0.0002","8.6498","0.0004","90","","90","","120","","683.82","0.04","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 S6 Si -","- Ba Ga2.01 S6 Si0.99 -","- Ba3 Ga6.03 S18 Si2.97 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0144","0.0144","","","0.0313","0.0313","","","","","","1.02","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018932","9.9666","0.0014","9.9666","0.0014","9.0471","0.0018","90","","90","","120","","778.3","0.2","93","2","93","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Se6 Si -","- Ba Ga2.01 Se6 Si0.99 -","- Ba3 Ga6.03 Se18 Si2.97 -","3","0.333333","","Yin, Wenlong; Feng, Kai; He, Ran; Mei, Dajiang; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","BaGa(2)MQ(6) (M = Si, Ge; Q = S, Se): a new series of promising IR nonlinear optical materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5653","5661","10.1039/c2dt12493a","","","0.71073","MoKα","","0.0486","0.0443","","","0.0878","0.0888","","","","","","0.836","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019712","14.1261","0.0003","14.1261","0.0003","24.5724","0.0014","90","","90","","120","","4246.4","0.3","296","2","296","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C45 H41 Ag7 B F4 N18 O4 P3 -","- C45 H39 Ag7 B0.99 F3.96 N18 O3.99 P3 -","- C135 H117 Ag21 B2.97 F11.88 N54 O11.97 P9 -","3","0.333333","","Gupta, Arvind K.; Steiner, Alexander; Boomishankar, Ramamoorthy","Tri-, hepta- and octa-nuclear Ag(i) complexes derived from 2-pyridyl-functionalized tris(amido)phosphate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9753","9759","10.1039/c2dt30241a","","","0.71073","MoKα","","0.0744","0.0395","","","0.0917","0.1226","","","","","","1.038","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019786","19.8631","0.0006","19.8631","0.0006","20.455","0.0005","90","","90","","120","","6989.1","0.3","296","2","296","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C21 H86 Lu3 N3 Na O90.5 Si W12 -","- C21 H9 Lu3 N3 Na O90.5 Si W12 -","- C63 H27 Lu9 N9 Na3 O271.5 Si3 W36 -","3","0.333333","","Li, Suzhi; Zhang, Dongdi; Guo, Yuan Yuan; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang","Keggin polyoxoanion supported organic-inorganic trinuclear lutetium cluster, {Na(H(2)O)(3)[Lu(pydc)(H(2)O)(3)](3)}[SiW(12)O(40)]·26.5H(2)O.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9885","9888","10.1039/c2dt30517h","","","0.71073","MoKα","","0.0565","0.0537","","","0.1376","0.1393","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020740","20.7933","0.0006","20.7933","0.0006","9.7004","0.0005","90","","90","","120","","3632.2","0.2","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C19 H10 B F5 O -","- C19 H10 B F5 O -","- C171 H90 B9 F45 O9 -","9","1","","Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.","Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","726","736","10.1039/c2dt31868g","","","0.71073","MoKα","","0.05","0.0368","","","0.0729","0.078","","","","","","1.023","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020936","16.0095","0.0003","16.0095","0.0003","15.8189","0.0004","90","","90","","120","","3511.26","0.13","150","","150","","","","","","","","syn","6","R 3 :H","R 3","146","","","","- C48 H29 B F27 O P -","- C48 H28.9999 B F27 O P -","- C144 H86.9997 B3 F81 O3 P3 -","3","0.333333","","Travis, Alastair L.; Binding, Samantha C.; Zaher, Hasna; Arnold, Thomas A. Q.; Buffet, Jean-Charles; O'Hare, Dermot","Small molecule activation by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2431","2437","10.1039/c2dt32525j","","","0.71073","MoKα","","0.0719","0.0421","","0.1056","0.0817","0.1056","","","","","","0.9714","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021993","15.486","0.003","15.486","0.003","5.0769","0.0011","90","","90","","120","","1054.4","0.4","125","2","125","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C48 H39 N9 O9 -","3","0.333333","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0451","0.0404","","","0.1037","0.1063","","","","","","1.06","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7024282","19.0019","0.0017","19.0019","0.0017","21.787","0.004","90","","90","","120","","6812.7","1.5","172","2","172","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C85 H126 Co N12 Ni O6 -","- C85 H126 Co N12 Ni O6 -","- C255 H378 Co3 N36 Ni3 O18 -","3","0.333333","","Jones, Matthew B.; Newell, Brian S.; Hoffert, Wesley A.; Hardcastle, Kenneth I.; Shores, Matthew P.; MacBeth, Cora E.","Chelating tris(amidate) ligands: versatile scaffolds for nickel(II).","Dalton transactions (Cambridge, England : 2003)","2010","39","2","401","410","10.1039/b914301g","","","0.71073","MoKα","","0.1447","0.0733","","","0.1488","0.1663","","","","","","1.021","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7025208","30.844","0.004","30.844","0.004","16.089","0.004","90","","90","","120","","13256","4","144","2","144","2","","","","","","","","6","R 3 :H","R 3","146","Phosphazene 3 with propylene sulfide inclusion","Phosphazene 3 with propylene sulfide inclusion","","- C50.78 H48 N12 O6 P6 S0.89 -","- C49.518 H48 N12 O6 P6 S0.556 -","- C445.662 H432 N108 O54 P54 S5.004 -","9","1","","Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.","Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5341","5348","10.1039/b925734a","","","0.71073","MoKα","","0.1598","0.1169","","","0.2973","0.3332","","","","","","1.065","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7025427","15.407","0.003","15.407","0.003","21.16","0.004","90","","90","","120","","4349.9","1.5","240","1","240","1","","","","","","","","6","R 3 :H","R 3","146","complex3","","","- C36 H66 Cl N9 Si6 Th -","- C36 H66 Cl N9 Si6 Th -","- C108 H198 Cl3 N27 Si18 Th3 -","3","0.333333","","Rabinovich, Elena; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.","Thorium 2-pyridylamidinates: synthesis, structure and catalytic activity towards the cyclo-oligomerization of epsilon-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6667","6676","10.1039/c000661k","","","0.71073","MoKα","","0.0384","0.0375","","","0.0942","0.0948","","","","","","1.113","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7026500","10.867","0.009","10.867","0.009","7.301","0.008","90","","90","","120","","746.7","1.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","none","","","- K O12 Sb3 Zn4 -","- K O12 Sb3 Zn4 -","- K3 O36 Sb9 Zn12 -","3","0.333333","","Yang, Song-Lin; Cheng, Wen-Dan; Zhang, Hao; Lin, Chen-Sheng; Zhang, Wei-Long; He, Zhang-Zhen","KZn(4)SbO(7) and KZn(4)Sb(3)O(12): syntheses, structures and photophysics of Sb(5+) control materials.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9547","9553","10.1039/c0dt00479k","","","0.71073","MoKα","","0.0199","0.0192","","","0.0412","0.0414","","","","","","0.918","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026707","20.011","0.0006","20.011","0.0006","10.0549","0.0003","90","","90","","120","","3486.95","0.18","123","2","123","2","","","","","","","synthesis as described","6","R 3 :H","R 3","146","","","","- C30 H45 Cl3 Mn3 N12 O18 -","- C30 H45 Cl3 Mn3 N12 O18 -","- C90 H135 Cl9 Mn9 N36 O54 -","3","0.333333","","Perea-Buceta, Jesús E; Mota, Antonio J.; Costes, Jean-Pierre; Sillanpää, Reijo; Krzystek, J.; Colacio, Enrique","A unique single carboxylate-bridged spin-frustrated chiral Mn(II) metallatriangle.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10286","10292","10.1039/c0dt00613k","","x-ray","0.71073","MoKα","","0.0512","0.0477","","","0.104","0.1058","","","","","","1.127","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7027193","16.5648","0.0011","16.5648","0.0011","5.3351","0.0004","90","","90","","120","","1267.78","0.15","296","2","296","2","","","","","","","","3","R 3 :H","R 3","146","TriBr","1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene","","- C15 H21 Br3 -","- C15 H21 Br3 -","- C45 H63 Br9 -","3","0.333333","","Walsdorff, Christian; Park, Sunyoung; Kim, Jeongho; Heo, Jungseok; Park, Ki-Min; Oh, Jinho; Kim, Kimoon","Co-ordination chemistry of CuI with 1,3,5-tris[bis(pyridin-2-ylmethyl)aminomethyl]-2,4,6-triethylbenzene, a conformationally constrained trinucleating ligand","Journal of the Chemical Society, Dalton Transactions","1999","","6","923","","10.1039/a809179j","","","0.71073","MoKα","","0.029","0.0282","","","0.0678","0.0689","","","","","","1.056","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7028383","17.982","0.005","17.982","0.005","21.19","0.01","90","","90","","120","","5934","4","120","2","120","2","","","","","","","synthesis as described","8","R 3 :H","R 3","146","","","","- C21 H63 La3 N3 Na O82 Si W12 -","- C21 H9 La3 N3 Na O82 Si W12 -","- C63 H27 La9 N9 Na3 O246 Si3 W36 -","3","0.333333","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","x-ray","0.71073","MoKα","","0.1581","0.1314","","","0.3068","0.3302","","","","","","1.11","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028384","18.0556","0.001","18.0556","0.001","21.1228","0.0011","90","","90","","120","","5963.6","0.6","120","2","120","2","","","","","","","synthesis as described","8","R 3 :H","R 3","146","","","","- C21 H63 Ce3 N3 Na O82 Si W12 -","- C21 H9 Ce3 N3 Na O82 Si W12 -","- C63 H27 Ce9 N9 Na3 O246 Si3 W36 -","3","0.333333","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","","0.71073","MoKα","","0.1078","0.0769","","","0.1817","0.2164","","","","","","1.013","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028385","18.0786","0.0007","18.0786","0.0007","20.9495","0.0009","90","","90","","120","","5929.7","0.4","120","2","120","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C21 H63 Eu3 N3 Na O82 Si W12 -","- C21 H9 Eu3 N3 Na O82 Si W12 -","- C63 H27 Eu9 N9 Na3 O246 Si3 W36 -","3","0.333333","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","x-ray","0.71073","MoKα","","0.065","0.0519","","","0.112","0.1169","","","","","","0.985","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028500","24.7936","0.0005","24.7936","0.0005","89.645","0.003","90","","90","","120","","47724","2","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C70 H100 Cl2 N6 Ni3 O4 S3 -","- C69.5625 H96 Cl1.125 N6 Ni3 O3.3125 S3 -","- C1669.5 H2304 Cl27 N144 Ni72 O79.5 S72 -","24","2.66667","","Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4102","4114","10.1039/c3dt53457j","","","1.54178","CuKα","","0.0928","0.0712","","","0.1822","0.1971","","","","","","1.023","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7030149","22.551","0.003","22.551","0.003","6.3892","0.0015","90","","90","","120","","2813.9","0.8","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C45 H35 Eu O7 -","- C45 H34.98 Eu O7 -","- C135 H104.94 Eu3 O21 -","3","0.333333","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0583","0.0514","","","0.1072","0.1108","","","","","","1.008","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7031927","37.0007","0.0003","37.0007","0.0003","32.4997","0.0003","90","","90","","120","","38532.7","0.6","223","2","223","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C111 H141 Li4 N3 O27 Ti2 -","- C111 H141 Li4 N3 O27 Ti2 -","- C1332 H1692 Li48 N36 O324 Ti24 -","12","1.33333","","Albrecht, M.; Isaak, E.; Shigemitsu, H.; Moha, V.; Raabe, G.; Fröhlich, R","Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14636","14643","10.1039/c4dt01553c","","","0.71073","MoKα","","0.1127","0.0832","","","0.1857","0.2019","","","","","","1.117","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031928","36.798","0.0004","36.798","0.0004","32.7961","0.0005","90","","90","","120","","38459.3","0.8","223","2","223","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C102 H120 Li4 O24 Ti2 -","- C102 H120 Li4 O24 Ti2 -","- C1224 H1440 Li48 O288 Ti24 -","12","1.33333","","Albrecht, M.; Isaak, E.; Shigemitsu, H.; Moha, V.; Raabe, G.; Fröhlich, R","Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14636","14643","10.1039/c4dt01553c","","","0.71073","MoKα","","0.1756","0.1281","","","0.3106","0.3416","","","","","","1.062","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031962","12.432","0.002","12.432","0.002","19.172","0.004","90","","90","","120","","2566.1","0.8","180","2","180","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H42 Al2 Fe N6 -","- C37.94 H41.82 Al2 Fe N6 -","- C113.82 H125.46 Al6 Fe3 N18 -","3","0.333333","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.1509","0.1381","","","0.4168","0.4458","","","","","","2.112","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031967","12.543","0.001","12.543","0.001","22.339","0.002","90","","90","","120","","3043.7","0.4","250","2","250","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C40 H46 Al2 Cl Li Mn N6 -","- C38.6666 H45.9998 Al2 Cl Li Mn N6 -","- C116 H137.999 Al6 Cl3 Li3 Mn3 N18 -","3","0.333333","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","1.54184","CuKα","","0.0964","0.0962","","","0.2387","0.2389","","","","","","1.05","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7035548","20.6446","0.0006","20.6446","0.0006","20.1037","0.0008","90","","90","","120","","7420.3","0.4","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C87 H159 K N6 Si6 Sr -","- C87 H159 K N6 Si6 Sr -","- C261 H477 K3 N18 Si18 Sr3 -","3","0.333333","","Turner, Zoë R; Buffet, Jean-Charles","Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12985","12989","10.1039/c5dt02270c","","","0.71073","MoKα","","0.0422","0.0337","","","0.0721","0.0759","","","","","","1.029","","","","has coordinates","153210","2020-10-21","18:00:00",""
"7036004","24.8542","0.0012","24.8542","0.0012","29.932","0.003","90","","90","","120","","16012.8","1.9","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C108 H132 Mo4 N16 Ni O6 P4 -","- C108 H132 Mo4 N16 Ni O6 P4 -","- C648 H792 Mo24 N96 Ni6 O36 P24 -","6","0.666667","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","","0.71073","MoKα","","0.0419","0.036","","","0.0767","0.0796","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036868","5.3419","0.0005","5.3419","0.0005","14.0603","0.0002","90","","90","","120","","347.47","0.05","300","","300","","","","","","","","","4","R 3 :H","R 3","146","Mn2ScSbO6-Ni3TeO6","Mn2ScSbO6","","- Mn2 O6 Sb Sc -","- Mn2 O6 Sb Sc -","- Mn6 O18 Sb3 Sc3 -","3","0.333333","","Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R","High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20441","20448","10.1039/c5dt03445k","powder diffraction","x-ray","1.54056","Cu_Kα","","","","","","","","","6.1775","1.574","","","","","","","has coordinates","282881","2023-04-27","09:12:51",""
"7036870","5.3419","0.0005","5.3419","0.0005","14.0603","0.0002","90","","90","","120","","347.47","0.05","300","","300","","","","","","","","","4","R 3 :H","R 3","146","Mn2ScSbO6-Ni3TeO6","Mn2ScSbO6","","- Mn2 O6 Sb Sc -","- Mn2 O6 Sb Sc -","- Mn6 O18 Sb3 Sc3 -","3","0.333333","","Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R","High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20441","20448","10.1039/c5dt03445k","powder diffraction","neutron","1.5936","neutron","","","","","","","","","6.1775","1.574","","","","","","","has coordinates","282881","2023-04-27","09:12:51",""
"7037127","19.427","0.0005","19.427","0.0005","6.9808","0.0003","90","","90","","120","","2281.64","0.13","130","2","130","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Cr Fe3 O3 P3 -","- C33 H33 Cr Fe3 O3 P3 -","- C99 H99 Cr3 Fe9 O9 P9 -","3","0.333333","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.034","0.0273","","","0.0513","0.0538","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037128","19.6082","0.0004","19.6082","0.0004","6.9759","0.0003","90","","90","","120","","2322.77","0.12","130","2","130","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C33 H33 Fe3 Mo O3 P3 -","- C33 H33 Fe3 Mo O3 P3 -","- C99 H99 Fe9 Mo3 O9 P9 -","3","0.333333","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.027","0.026","","","0.0607","0.0614","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037841","35.628","0.004","35.628","0.004","10.4061","0.001","90","","90","","120","","11439","2","149","2","149","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C53 H61 N2 O2 P3 Ru -","- C53 H61 N2 O2 P3 Ru -","- C477 H549 N18 O18 P27 Ru9 -","9","1","","Mosaferi, Eliar; Pan, Li; Wang, Tongen; Sun, Yunshan; Pranckevicius, Conor; Stephan, Douglas W.","Preparation and reactivity of a Ru(0) phosphino-carbene complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1354","1358","10.1039/c5dt04337a","","","0.71073","MoKα","","0.1195","0.0679","","","0.12","0.1342","","","","","","0.935","","","","has coordinates,has disorder","176007","2020-10-21","18:00:00",""
"7038747","12.7151","0.0018","12.7151","0.0018","28.077","0.004","90","","90","","120","","3931.2","1","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C48 H63 Cl2 Fe N9 O8 -","- C48 H63 Cl2 Fe N9 O7.96 -","- C144 H189 Cl6 Fe3 N27 O23.88 -","3","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.0527","0.0501","","","0.1381","0.1409","","","","","","1.007","","","","has coordinates,has disorder","182758","2020-10-21","18:00:00",""
"7038748","12.7337","0.0012","12.7337","0.0012","28.004","0.002","90","","90","","120","","3932.4","0.6","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C48 H63 Cl2 Fe N9 O8 -","- C48 H63 Cl2 Fe N9 O8 -","- C144 H189 Cl6 Fe3 N27 O24 -","3","0.333333","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7340","7348","10.1039/c6dt00210b","","","0.71073","MoKα","","0.089","0.0623","","","0.1255","0.1467","","","","","","1.32","","","","has coordinates","182758","2020-10-21","18:00:00",""
"7040898","15.485","0.008","15.485","0.008","10.507","0.014","90","","90","","120","","2182","3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 Te12 -","- Cd4.0005 Cs Ga5.01 Te12 -","- Cd12.0015 Cs3 Ga15.03 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0282","0.0255","","","0.0641","0.0648","","","","","","1.013","","","","has coordinates,has disorder","190185","2020-10-21","18:00:00",""
"7040899","15.3432","0.0006","15.3432","0.0006","10.4161","0.0008","90","","90","","120","","2123.6","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga5 Mn4 Rb Te12 -","- Ga4.9998 Mn4.0002 Rb Te12 -","- Ga14.9994 Mn12.0006 Rb3 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0294","0.0285","","","0.0665","0.0669","","","","","","1.038","","","","has coordinates","190185","2020-10-21","18:00:00",""
"7040900","15.439","0.008","15.439","0.008","10.477","0.008","90","","90","","120","","2163","2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb Te12 -","- Cd3.9999 Ga5.01 Rb Te12 -","- Cd11.9997 Ga15.03 Rb3 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0201","0.0199","","","0.0497","0.0498","","","","","","1.042","","","","has coordinates,has disorder","190185","2020-10-21","18:00:00",""
"7040901","15.376","0.004","15.376","0.004","10.441","0.004","90","","90","","120","","2137.8","1.1","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs Ga5 Mn4 Te12 -","- Cs Ga5.001 Mn3.999 Te12 -","- Cs3 Ga15.003 Mn11.997 Te36 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Li-Ming","AXXTe12 (A = Rb, Cs; X(II) = Mn, Zn, Cd; X(III) = Ga, In): quaternary semiconducting tellurides with very low thermal conductivities.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17606","17609","10.1039/c6dt03630a","","","0.71073","MoKα","","0.0237","0.0232","","","0.0489","0.0491","","","","","","1.036","","","","has coordinates","190185","2020-10-21","18:00:00",""
"7041157","21.3648","0.0019","21.3648","0.0019","22.577","0.002","90","","90","","120","","8924.7","1.4","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C90 H72 Br24 Co5 N18 Pb7 -","- C90 H72 Br24 Co5 N18 Pb7 -","- C270 H216 Br72 Co15 N54 Pb21 -","3","0.333333","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wei, Jun-Chao; Li, Rui-Qing; Li, Yan; Mi, Fu-Qi","Transition metal complex directed lead bromides with tunable structures and visible light driven photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19389","19398","10.1039/c6dt03601e","","","0.71073","MoKα","","0.0861","0.0543","","","0.1001","0.1099","","","","","","1.029","","","","has coordinates","190139","2020-10-21","18:00:00",""
"7042646","19.6858","0.0015","19.6858","0.0015","28.677","0.002","90","","90","","120","","9624.3","1.2","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C97.5 H100 Cl6 Mn7 N6 Na2 O23.5 -","- C97.5 H96 Cl6 Mn7 N6 Na2 O23.4999 -","- C292.5 H288 Cl18 Mn21 N18 Na6 O70.4997 -","3","0.333333","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.1079","0.0441","","","0.1137","0.1246","","","","","","0.983","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042649","19.626","0.0007","19.626","0.0007","28.7679","0.0009","90","","90","","120","","9596.3","0.6","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C105 H111 Cl6 Mn7 N9 Na2 O23 -","- C105 H111 Cl6 Mn7 N9 Na2 O23 -","- C315 H333 Cl18 Mn21 N27 Na6 O69 -","3","0.333333","","Escuer, Albert; Mayans, Julia; Font-Bardia, Merce; Górecki, Marcin; Di Bari, Lorenzo","Syntheses, structures, chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core","Dalton Trans.","2017","","","","","10.1039/C7DT00811B","","","0.71073","MoKα","","0.0695","0.0572","","","0.1654","0.1738","","","","","","1.123","","","","has coordinates","195229","2020-10-21","18:00:00",""
"7042980","10.4697","0.0013","10.4697","0.0013","9.476","0.002","90","","90","","120","","899.5","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga Rb Se6 Sn2 -","- Ga0.99 Rb Se6 Sn2.01 -","- Ga2.97 Rb3 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Xin-Tao; Wu, Li-Ming","Two excellent phase-matchable infrared nonlinear-optical materials based on the 3D diamond-like frameworks: RbGaSn2Se6 and RbInSn2Se6","Dalton Trans.","2017","","","","","10.1039/C7DT01384A","","","0.71073","MoKα","","0.0244","0.0228","","","0.04","0.0402","","","","","","1.026","","","","has coordinates,has disorder","196729","2020-10-21","18:00:00",""
"7042981","10.6044","0.0008","10.6044","0.0008","9.66","0.002","90","","90","","120","","940.8","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- In Rb Se6 Sn2 -","- In0.99 Rb Se6 Sn2.01 -","- In2.97 Rb3 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Xin-Tao; Wu, Li-Ming","Two excellent phase-matchable infrared nonlinear-optical materials based on the 3D diamond-like frameworks: RbGaSn2Se6 and RbInSn2Se6","Dalton Trans.","2017","","","","","10.1039/C7DT01384A","","","0.71073","MoKα","","0.0274","0.0254","","","0.0483","0.0487","","","","","","1.016","","","","has coordinates,has disorder","196729","2020-10-21","18:00:00",""
"7043134","12.6436","0.0016","12.6436","0.0016","28.035","0.003","90","","90","","120","","3881.3","0.8","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C48 H63 B2 F8 Fe N9 -","- C48 H63 B2 F8 Fe N9 -","- C144 H189 B6 F24 Fe3 N27 -","3","0.333333","","Han, Wang-Kang; Qin, Long-Fang; Pang, Chun-Yan; Cheng, Cai-Kun; Zhu, Wei; Li, Zhi-Hua; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Polymorphism of chiral iron(II) complex: spin-crossover and ferroelectric properties","Dalton Trans.","2017","","","","","10.1039/C7DT01634D","","","0.71073","MoKα","","0.0922","0.0687","","","0.1818","0.1982","","","","","","1.013","","","","has coordinates,has disorder","197013","2020-10-21","18:00:00",""
"7043169","16.0982","0.0005","16.0982","0.0005","9.5045","0.0003","90","","90","","120","","2133.12","0.12","110","2","110","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C24 H51 In N6 -","- C24 H51 In N6 -","- C72 H153 In3 N18 -","3","0.333333","","Gebhard, Maximilian; Hellwig, Malte; Kroll, Alexander; Rogalla, Detlef; Winter, Manuela; Mallick, Bert; Ludwig, Arne; Wiesing, Martin; Wieck, Andreas D.; Grundmeier, Guido; Devi, Anjana","New amidinate complexes of indium(III): Promising CVD precursors for transparent and conductive In2O3 thin films","Dalton Trans.","2017","","","","","10.1039/C7DT01280B","","","1.54184","CuKα","","0.0345","0.0345","","","0.0917","0.0917","","","","","","1.126","","","","has coordinates,has disorder","197120","2020-10-21","18:00:00",""
"7043563","17.9235","0.0014","17.9235","0.0014","10.2589","0.0009","90","","90","","120","","2854.2","0.4","170","","170","","","","","","","","","5","R 3 :H","R 3","146","","","","- C44 H39 Mo O3 P3 -","- C44 H38.9997 Mo O3 P3 -","- C132 H116.999 Mo3 O9 P9 -","3","0.333333","","Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter","Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs","Dalton Trans.","2017","","","","","10.1039/C7DT01459G","","","0.71073","MoKα","","0.1216","0.0938","","","0.2094","0.24","","","","","","1.065","","","","has coordinates,has disorder","198620","2020-10-21","18:00:00",""
"7044326","33.3064","0.001","33.3064","0.001","9.5764","0.0006","90","","90","","120","","9200","0.7","296","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C40 H32 N6 O11 Zn2 -","- C40 H32 N6 O11.3333 Zn2 -","- C360 H288 N54 O102 Zn18 -","9","1","","Zhang, Mingdao; Li, Yan-Le; Shi, Zhen-Zhen; Ma, Jing; Zheng, Hegen","A pair of 3D enantiotopic zinc(II) complexes based on two asymmetric achiral ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03205F","","","0.71073","MoKα","","0.0632","0.0572","","","0.1602","0.165","","","","","","1.031","","","","has coordinates","201330","2020-10-21","18:00:00",""
"7044327","33.3463","0.0016","33.3463","0.0016","9.5459","0.001","90","","90","","120","","9192.7","1.1","296","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H98 N18 O34 Zn6 -","- C120 H97.9998 N18 O34 Zn6 -","- C360 H293.999 N54 O102 Zn18 -","3","0.333333","","Zhang, Mingdao; Li, Yan-Le; Shi, Zhen-Zhen; Ma, Jing; Zheng, Hegen","A pair of 3D enantiotopic zinc(II) complexes based on two asymmetric achiral ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03205F","","","0.71073","MoKα","","0.0626","0.0547","","","0.128","0.1319","","","","","","0.995","","","","has coordinates","201330","2020-10-21","18:00:00",""
"7044350","15.0503","0.0002","15.0503","0.0002","10.2997","0.0001","90","","90","","120","","2020.44","0.04","170","2","170","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H21 Co Dy N9 O12 -","- C21 H21 Co Dy N9 O12 -","- C63 H63 Co3 Dy3 N27 O36 -","3","0.333333","","Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe","“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02717F","","","1.54178","CuKα","","0.0374","0.0368","","","0.0713","0.0715","","","","","","0.983","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7044448","30.9","0.5","30.9","0.5","19.2466","0.0018","90","","90","","120","","15915","4","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C201 H201 Br Cu18 K N45 O48 -","- C192 H168 Br Cu18 K N42 O39 -","- C576 H504 Br3 Cu54 K3 N126 O117 -","3","0.333333","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.0883","0.0576","","","0.1186","0.1349","","","","","","1.001","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7044450","30.9435","0.0003","30.9435","0.0003","19.7564","0.0005","90","","90","","120","","16382.4","0.5","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C201 H201 Cl Cu18 K N45 O48 -","- C192 H168 Cl Cu18 K N42 O39 -","- C576 H504 Cl3 Cu54 K3 N126 O117 -","3","0.333333","","Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei","High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties","Dalton Trans.","2017","","","","","10.1039/C7DT02881D","","","0.71073","MoKα","","0.0566","0.0402","","","0.0939","0.1052","","","","","","1.045","","","","has coordinates","201876","2020-10-21","18:00:00",""
"7051775","16.5047","0.0007","16.5047","0.0007","10.2363","0.0009","90","","90","","120","","2414.8","0.3","193","2","193","2","","","","","","","Pentane","3","R 3 :H","R 3","146","Tris(2,6-diisopropylphenyl)phosphine","Tris(2,6-diisopropylphenyl)phosphane","","- C36 H51 P -","- C36 H51 P -","- C108 H153 P3 -","3","0.333333","","Boeré, René T.; Bond, Alan M.; Cronin, Steve; Duffy, Noel W.; Hazendonk, Paul; Masuda, Jason D.; Pollard, Kyle; Roemmele, Tracey L.; Tran, Peter; Zhang, Yuankui","Photophysical, dynamic and redox behavior of tris(2,6-diisopropylphenyl)phosphine","New Journal of Chemistry","2008","32","2","214","","10.1039/b709602j","","x-ray","0.71073","MoKα","","0.0294","0.0294","","","0.0841","0.0841","","","","","","1.153","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7055187","24.1919","0.0006","24.1919","0.0006","12.7495","0.0002","90","","90","","120","","6462","0.2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","[Cu(anti-23)]","","","- C23 H30 Cu N10 O2 -","- C23 H30 Cu N10 O2 -","- C207 H270 Cu9 N90 O18 -","9","1","","Felten, A.-S.; Petry, N.; Henry, B.; Pellegrini-Moïse, N.; Selmeczi, K.","C-Functionalized chiral dioxocyclam and cyclam derivatives with 1,2,3-triazole units: synthesis, complexation properties and crystal structures of copper(ii) complexes","New J. Chem.","2016","40","2","1507","","10.1039/C5NJ01927C","","","0.71073","MoKα","","0.0335","0.0295","","","0.0742","0.0768","","","","","","1.024","","","","has coordinates","177887","2020-10-21","18:00:00",""
"7055247","11.6472","0.0015","11.6472","0.0015","19.117","0.002","90","","90","","120","","2245.9","0.5","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- Cs3 H20 Na Nb2 O29 W4 -","- Cs3 Na Nb2.001 O29 W3.999 -","- Cs9 Na3 Nb6.003 O87 W11.997 -","3","0.333333","","Sures, Dylan J.; Molina, Pedro I.; Miró, Pere; Zakharov, Lev N.; Nyman, May","Cesium salts of niobo-tungstate isopolyanions with intermediate group V‒group VI character","New J. Chem.","2016","40","2","928","","10.1039/C5NJ02914G","","","0.71073","MoKα","","0.0497","0.0325","","","0.0537","0.0581","","","","","","1.006","","","","has coordinates","177894","2020-10-21","18:00:00",""
"7057085","15.8751","0.0006","15.8751","0.0006","31.9698","0.0014","90","","90","","120","","6977.6","0.5","130","2","130","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C36 H84 Co2 N12 O52 P W12 -","- C36 H84 Co2 N12 O52 P W12 -","- C108 H252 Co6 N36 O156 P3 W36 -","3","0.333333","","Shmakova, Alexandra A.; Akhmetova, Maria M.; Volchek, Victoria V.; Romanova, Tamara E.; Korolkov, Ilya; Sheven, Dmitri G.; Adonin, Sergey A.; Abramov, Pavel A.; Sokolov, Maxim N.","A HPLC-ICP-AES technique for the screening of [XW11NbO40]n− aqueous solutions","New Journal of Chemistry","2018","42","10","7940","","10.1039/C7NJ04702A","","x-ray","0.71073","MoKα","","0.0555","0.0502","","","0.1196","0.1247","","","","","","1.015","","","","has coordinates,has disorder","230187","2020-10-21","18:00:00",""
"7058529","13.3319","0.0014","13.3319","0.0014","13.02","0.003","90","","90","","120","","2004.1","0.5","297","2","297","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C27 H36 Cl N3 O Te -","- C27 H36 Cl N3 O Te -","- C81 H108 Cl3 N9 O3 Te3 -","3","0.333333","","Beleagă, Anca; Denes, Eleonora; Silvestru, Cristian; Silvestru, Anca","Experimental evidence for hypercoordination in triorganotelluronium halides with 2-(Me2NCH2)C6H4 groups","New Journal of Chemistry","2019","43","29","11585","","10.1039/C9NJ02530H","","","0.71073","MoKα","","0.0306","0.0296","","","0.0558","0.0563","","","","","","1.019","","","","has coordinates","224674","2020-10-21","18:00:00",""
"7058986","22.7056","0.001","22.7056","0.001","6.3514","0.0003","90","","90","","120","","2835.7","0.2","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C45 H35 Dy O7 -","- C45 H33 Dy O7 -","- C135 H99 Dy3 O21 -","3","0.333333","","Sukhikh, Taisiya S.; Kolybalov, Dmitry S.; Pylova, Ekaterina K.; Bashirov, Denis A.; Komarov, Vladislav Y.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Fitch, Andrew N.; Konchenko, Sergey N.","A fresh look at the structural diversity of dibenzoylmethanide complexes of lanthanides","New Journal of Chemistry","2019","43","25","9934","","10.1039/C9NJ02059D","","","0.71073","MoKα","","0.0236","0.0236","","","0.0587","0.0587","","","","","","1.058","","","","has coordinates","223416","2020-10-21","18:00:00",""
"7061382","22.7024","0.0011","22.7024","0.0011","24.4575","0.0013","90","","90","","120","","10916.6","0.9","193","2","193","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C91 H90 N31 Ni2 O4 -","- C75 H54 N27 Ni2 -","- C225 H162 N81 Ni6 -","3","0.333333","","Huang, Jie-Fen; Hu, Hao-Chen; Deng, Shu-Qi; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang; Zheng, Sheng-Run","A Ni(ii) metal–organic framework with helical channels for the capture of iodine via guest exchange induced amorphization","New Journal of Chemistry","2022","46","15","7144","7152","10.1039/D1NJ06140B","","","1.34139","GaKα","","0.0439","0.0363","","","0.1003","0.1033","","","","","","0.988","","","","has coordinates,has disorder","275037","2022-05-05","20:48:05",""
"7100019","16.2136","0.0013","16.2136","0.0013","22.0711","0.0018","90","","90","","120","","5024.7","0.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C63 H78.6 Ir N12 O10.8 -","- C63 H63 Ir N12 O10.8 -","- C189 H189 Ir3 N36 O32.4 -","3","0.333333","","Gebhard Haberhauer; Thomas Oeser; Frank Rominger","A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems","Chemical Communications","2005","","","","","10.1039/b502158h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101358","43.215","0.043","43.215","0.043","43.397","0.043","90","","90","","120","","70187","121","95","2","95","2","","","","","","","","6","R 3 :H","R 3","146","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix(6)arene-38,40,42-tris-oxyacetyl-N-p-bromo-L- phenylalanine potassium salt","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix[6]arene-38,40,42-tris-oxyacetyl- N-p-bromo-L-phenylalanine potassium salt","","- C837 H1092 Br24 K6 N24 O168 -","- C837 H936 Br24 K6 N24 O168 -","- C2511 H2808 Br72 K18 N72 O504 -","3","0.333333","","Tetsuaki Tanaka; Yoichi Hiyama; Toshimasa Ishida; Naoyoshi Maezaki; Hirofumi Ohishi; Koji Tsukamoto","Self-assembled octameric cage constructed by potassium salt of p-tert-butylcalix[6]arene p-bromophenylalanine derivative in solid state","Chemical Communications","2006","","34","","","10.1039/b605555a","","","0.922","synchrotron","","0.1522","0.1437","","","0.3884","0.4079","","","","","","1.249","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101359","43.053","0.043","43.053","0.043","44.166","0.044","90","","90","","120","","70897","123","95","2","95","2","","","","","","","","6","R 3 :H","R 3","146","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix(6)arene-38,40,42-tris-oxyacetyl-N-p-bromo-L- phenylalanine potassium salt","5,11,17,23,29,35-Hexa-tert-butyl-37,39,41- trimethoxycalix[6]arene-38,40,42-tris-oxyacetyl- N-p-bromo-L-phenylalanine potassium salt","","- C849 H1212 Br24 K12 N24 O219 -","- C849 H936 Br24 K12 N24 O219 -","- C2547 H2808 Br72 K36 N72 O657 -","3","0.333333","","Tetsuaki Tanaka; Yoichi Hiyama; Toshimasa Ishida; Naoyoshi Maezaki; Hirofumi Ohishi; Koji Tsukamoto","Self-assembled octameric cage constructed by potassium salt of p-tert-butylcalix[6]arene p-bromophenylalanine derivative in solid state","Chemical Communications","2006","","34","","","10.1039/b605555a","","","0.7","synchrotron","","0.1437","0.1347","","","0.3","0.3053","","","","","","1.343","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7102343","25.47","0.004","25.47","0.004","13.028","0.003","90","","90","","120","","7319","2","93","2","93","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C99 H81 Ag6 F9 N12 O18 S3 -","- C99 H81 Ag6 F9 N12 O18 S3 -","- C297 H243 Ag18 F27 N36 O54 S9 -","3","0.333333","","Lee, Ho Yong; Park, Jaejoon; Lah, Myoung Soo; Hong, Jong-In","A hamburger-shaped helical stacking of disk-shaped ligands mediated by silver(II) ions.","Chemical communications (Cambridge, England)","2007","","47","5013","5015","10.1039/b712717k","","","0.7","synchrotron","","0.0432","0.0421","","","0.1099","0.1112","","","","","","1.059","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102699","13.1572","0.0006","13.1572","0.0006","40.101","0.004","90","","90","","120","","6011.9","0.7","200","2","200","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H88 Na7 O64.5 Ru2 S6 W9 -","- C12 H36 Na4 O67.5 Ru2 S6 W9 -","- C36 H108 Na12 O202.5 Ru6 S18 W27 -","3","0.333333","","Bi, Lihua; Hussain, Firasat; Kortz, Ulrich; Sadakane, Masahiro; Dickman, Michael H","A novel isopolytungstate functionalized by ruthenium: [HW(9)O(33)Ru(II)(2)(dmso)(6)](7-).","Chemical communications (Cambridge, England)","2004","","12","1420","1421","10.1039/b403902e","","","0.71073","MoKα","","0.0446","0.0429","","","0.0992","0.1001","","","","","","1.101","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102902","21.138","0.002","21.138","0.002","32.33","0.002","90","","90","","120","","12510.2","1.8","180","2","180","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C48 H96 Li3 O24 Sb11 -","- C48 H96 Li3 O24 Sb11 -","- C288 H576 Li18 O144 Sb66 -","6","0.666667","","García, Felipe; Less, Robert J; Naseri, Vesal; McPartlin, Mary; Rawson, Jeremy M; Sancho Tomas, Maria; Wright, Dominic S","Direct synthesis of the 1,2,3-[C6H4P...P...P]- anion, isoelectronic with the indenyl anion [C6H4CH...CH...CH]-.","Chemical communications (Cambridge, England)","2008","","7","859","861","10.1039/b718425e","","","0.71073","MoKα","","0.0984","0.0721","","","0.1768","0.1975","","","","","","1.029","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7104964","11.3842","0.0003","11.3842","0.0003","14.1889","0.0007","90","","90","","120","","1592.52","0.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","Au(C7H10)3SbF6","","","- C21 H30 Au F6 Sb -","- C21 H30 Au F6 Sb -","- C63 H90 Au3 F18 Sb3 -","3","0.333333","","Fianchini, Mauro; Dai, Huixiong; Dias, H V Rasika","Organometallic wheels based on coinage metal ions and norbornene: syntheses and structural characterization of [M(norbornene)(3)][SbF(6)] (M = Au, Ag, Cu).","Chemical communications (Cambridge, England)","2009","","42","6373","6375","10.1039/b915076e","","","0.71073","MoKα","","0.0156","0.0156","","","0.0395","0.0395","","","","","","1.053","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7104965","11.5119","0.0003","11.5119","0.0003","14.1244","0.0007","90","","90","","120","","1621.04","0.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","Ag(C7H10)3SbF6","","","- C21 H30 Ag F6 Sb -","- C21 H30 Ag F6 Sb -","- C63 H90 Ag3 F18 Sb3 -","3","0.333333","","Fianchini, Mauro; Dai, Huixiong; Dias, H V Rasika","Organometallic wheels based on coinage metal ions and norbornene: syntheses and structural characterization of [M(norbornene)(3)][SbF(6)] (M = Au, Ag, Cu).","Chemical communications (Cambridge, England)","2009","","42","6373","6375","10.1039/b915076e","","","0.71073","MoKα","","0.0175","0.0175","","","0.0449","0.0449","","","","","","1.143","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7104966","11.358","0.0003","11.358","0.0003","14.0341","0.0007","90","","90","","120","","1567.9","0.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","Cu(C7H10)3SbF6","","","- C21 H30 Cu F6 Sb -","- C21 H30 Cu F6 Sb -","- C63 H90 Cu3 F18 Sb3 -","3","0.333333","","Fianchini, Mauro; Dai, Huixiong; Dias, H V Rasika","Organometallic wheels based on coinage metal ions and norbornene: syntheses and structural characterization of [M(norbornene)(3)][SbF(6)] (M = Au, Ag, Cu).","Chemical communications (Cambridge, England)","2009","","42","6373","6375","10.1039/b915076e","","","0.71073","MoKα","","0.0276","0.0276","","","0.0731","0.0731","","","","","","1.129","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7105436","17.636","0.003","17.636","0.003","20.817","0.004","90","","90","","120","","5607.2","1.7","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","Ammie","","","- C66 H92 Br N6 Na O25 -","- C66 H66 Br N6 Na0.99 O25.01 -","- C198 H198 Br3 N18 Na2.97 O75.03 -","3","0.333333","","Cresswell, Ammie L; Piepenbrock, Marc-Oliver M; Steed, Jonathan W","A water soluble, anion-binding zwitterionic capsule based on electrostatic interactions between self-complementary hemispheres.","Chemical communications (Cambridge, England)","2010","46","16","2787","2789","10.1039/b926149d","","","0.71073","MoKα","","0.0701","0.0506","","","0.1246","0.1351","","","","","","1.004","","","","has coordinates,has disorder","180158","2020-10-21","18:00:00",""
"7105621","32.1473","0.0015","32.1473","0.0015","11.6175","0.0008","90","","90","","120","","10397.6","1","190","2","190.15","","","","","","","","","6","R 3 :H","R 3","146","","1,2-bis(2-methyl-5-nitro-1-benzothiophen-3-yl)perfluorocyclopentene","","- C23 H12 F6 N2 O4 S2 -","- C23 H12 F6 N2 O4 S2 -","- C414 H216 F108 N36 O72 S36 -","18","2","","Kitagawa, Daichi; Yamashita, Itsuka; Kobatake, Seiya","Photoinduced micropatterning by polymorphic crystallization of a photochromic diarylethene in a polymer film.","Chemical communications (Cambridge, England)","2010","46","21","3723","3725","10.1039/c0cc00061b","","","0.7107","MoKα","","0.1046","0.0692","","","0.1086","0.1208","","","","","","1.104","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7106170","20.8675","0.001","20.8675","0.001","10.567","0.0006","90","","90","","120","","3985","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C63 H48 Co3 N6 O9 -","- C63 H48 Co3 N6 O9 -","- C189 H144 Co9 N18 O27 -","3","0.333333","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0429","0.038","","","0.0788","0.0795","","","","","","2.172","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7106175","20.7019","0.0009","20.7019","0.0009","10.6229","0.0006","90","","90","","120","","3942.7","0.3","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C63 H48 N6 Ni3 O9 -","- C63 H48 N6 Ni3 O9 -","- C189 H144 N18 Ni9 O27 -","3","0.333333","","Emily Y. Tsui; Jacob S. Kanady; Michael W.Day; Theodor Agapie","Trinuclear first row transition metal complexes of a hexapyridyl, trialkoxy 1,3,5-triarylbenzene ligand","Chem.Commun.","2011","47","","4189","","10.1039/c0cc05608a","","","0.71073","MoKα","","0.0497","0.0443","","","0.069","0.0693","","","","","","2.887","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7106393","20.9216","0.0018","20.9216","0.0018","21.233","0.002","90","","90","","120","","8048.8","1.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C63 H127 Ag11 N10 O3 S18 -","- C63 H127 Ag11 N10 O3 S18 -","- C189 H381 Ag33 N30 O9 S54 -","3","0.333333","","Chen-Wei Liu; Ping-Kuei Liao; Ching-Shiang Fang; Jean-Yves Saillard; Samia Kahlal; Ju-Chun Wang","An eleven-vertex deltahedron with hexacapped trigonal bipyramidal geometry","Chem.Commun.","2011","47","","5831","","10.1039/c1cc10168d","","","0.71073","MoKα","","0.0348","0.0308","","","0.0762","0.0787","","","","","","1.026","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106409","14.6784","0.0002","14.6784","0.0002","12.8656","0.0002","90","","90","","120","","2400.59","0.06","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C35 H50 N6 O -","- C35 H47.97 N6 O -","- C105 H143.91 N18 O3 -","3","0.333333","","John S. Hart; Fraser J. White; Jason B. Love","Donor-extended tripodal pyrroles: encapsulation, metallation, and H-bonded tautomers","Chem.Commun.","2011","47","","5711","","10.1039/c1cc11378j","","","0.71073","MoKα","","0.0783","0.0647","","","","0.2101","","","","","","1.055","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7106619","26.969","0.004","26.969","0.004","4.7896","0.0009","90","","90","","120","","3016.9","0.8","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C30 H36 N9 O19 P S3 -","- C30 H36 N9 O19 P S3 -","- C90 H108 N27 O57 P3 S9 -","3","0.333333","","Jesse V. Gavette; Juven Lara; Orion B. Berryman; Lev N. Zakharov; Michael M. Haley; Darren W. Johnson","Lithium cation enhances anion binding in a tripodal phosphine oxide-based ditopic receptor","Chem.Commun.","2011","47","","7653","","10.1039/c1cc12475g","","","0.71073","MoKα","","0.0686","0.0474","","","0.0701","0.0768","","","","","","0.838","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106687","77.9421","0.0003","77.9421","0.0003","47.734","0.002","90","","90","","120","","251132","11","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C552 Cl12 Mn12 N24 O76 Zn16 -","- C552 Cl12 Mn12 N24 O76 Zn16 -","- C1656 Cl36 Mn36 N72 O228 Zn48 -","3","0.333333","","Feijie Song; Cheng Wang; Wenbin Lin","A chiral metal-organic framework for tandem asymmetric catalysis","Chem.Commun.","2011","47","","8256","","10.1039/c1cc12701b","","","1.54178","CuKα","","0.1298","0.0982","","","0.2656","0.2943","","","","","","0.837","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7107593","11.3072","0.0006","11.3072","0.0006","11.2423","0.0009","90","","90","","120","","1244.79","0.14","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- H2 I6 O19 Pb Pt -","- H2.0001 I6 O19 Pb Pt -","- H6.0003 I18 O57 Pb3 Pt3 -","3","0.333333","","Chuan-Fu Sun; Chun-Li Hu; Jiang-Gao Mao","PbPt(IO3)6(H2O): A New Polar Material with Two Types of Stereoactive Lone-Pairs and a Very Large SHG Response","Chem.Commun.","2012","48","","4220","","10.1039/c2cc30326d","","","0.71073","MoKα","","0.0163","0.0162","","","0.035","0.035","","","","","","0.984","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7109333","10.7081","0.0018","10.7081","0.0018","22.379","0.004","90","","90","","120","","2222.3","0.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H36 Cl9 Ga3 N4 -","- C12 H36.0054 Cl9 Ga3 N4 -","- C36 H108.016 Cl27 Ga9 N12 -","3","0.333333","","Robert J. Wilson; Jason R. Jones; Miriam V. Bennett","Unprecedented gallium-nitrogen anions: synthesis and characterization of [(Cl3Ga)3N]^3-^ and [(Cl3Ga)2NSnMe3]^2-^","Chem.Commun.","2013","49","","5049","","10.1039/c3cc41897a","","x-ray","0.71073","MoKα","","0.0495","0.0334","","","0.0644","0.0689","","","","","","1.018","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109656","31.1023","0.0019","31.1023","0.0019","45.205","0.003","90","","90","","120","","37871","4","100","2","298","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C357.33 H712 In6 N2 O156.67 P3 -","- C144 H72 In6 O44 P3 -","- C432 H216 In18 O132 P9 -","3","0.333333","","Zhuxiu Zhang; Young Ran Ji; Lukasz Wojtas; Wen-Yang Gao; Shengqian Ma; Michael J. Zaworotko; Jon C. Antilla","Two homochiral organocatalytic metal organic materials with nanoscopic channels","Chem.Commun.","2013","49","","7693","","10.1039/c3cc43801e","","","0.41328","synchrotron","","0.0702","0.0458","","","0.1066","0.112","","","","","","0.991","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109771","20.8559","0.0006","20.8559","0.0006","11.8574","0.0004","90","","90","","120","","4466.6","0.2","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C63 H81 Mg N6 Na O6 -","- C63 H81 Mg N6 Na O6 -","- C189 H243 Mg3 N18 Na3 O18 -","3","0.333333","","Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia","Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates","Chem.Commun.","2013","49","","8659","","10.1039/c3cc45167d","","","0.71073","MoKα","","0.0389","0.0344","","","0.086","0.087","","","","","","1.077","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7110687","31.6","0.004","31.6","0.004","12.7","0.003","90","","90","","120","","10983","3","213","2","213","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H48 N2 O10 Rh2 -","- C36 H48 N2 O10 Rh2 -","- C324 H432 N18 O90 Rh18 -","9","1","","Bonar-Law, Richard P.; McGrath, Thomas D.; Singh, Nirmal; Bickley, Jamie F.; Steiner, Alexander","Dinuclear complexes as connectors for carboxylates. Self-assembly of a molecular box","Chemical Communications","1999","","24","2457","","10.1039/a906415j","","","0.71073","MoKα","","0.0769","0.06","","","0.1535","0.1767","","","","","","1.11","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7111344","12.9951","0.0005","12.9951","0.0005","40.694","0.003","90","","90","","120","","5951.4","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","(2e and phloroglucinol)","","- C71 H79 Cl4 N15 O6 -","- C70.98 H78.96 Cl3.96 N15 O6 -","- C212.94 H236.88 Cl11.88 N45 O18 -","3","0.333333","","Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank","A C3-symmetric molecular scaffold for the construction of large receptors","Chemical Communications","2004","","18","2044","2045","10.1039/b406335j","","","0.71073","MoKα","","0.0767","0.0728","","","0.1992","0.204","","","","","","1.095","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111392","27.673","0.003","27.673","0.003","7.458","0.001","90","","90","","120","","4946.1","1","293","2","293","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C54 H66 Br3 Cu3 N6 Na O27 Sr -","- C54 H66 Br3 Cu3 N6 Na O27 Sr -","- C162 H198 Br9 Cu9 N18 Na3 O81 Sr3 -","3","0.333333","","Liu, Wenlong; Song, You; Li, Yizhi; Zou, Yang; Dang, Dongbin; Ni, Chunlin; Meng, Qingjin","Self-assembly of a 1D heterotrimetallic Cu(ii)-Sr(ii)-Na(i) propeller-like chiral coordination polymer with ferromagnetic interactions","Chemical Communications","2004","","20","2348","2349","10.1039/b408205b","","","0.71073","MoKα","","0.0637","0.0493","","","0.1005","0.104","","","","","","1.015","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7112279","39.7853","0.001","39.7853","0.001","14.0608","0.0004","90","","90","","120","","19274.6","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C207 H282 Co3 N24 O61 P3 -","- C207 H282 Co3 N24 O61 P3 -","- C621 H846 Co9 N72 O183 P9 -","3","0.333333","","Giedyk, M.; Fedosov, S. N.; Gryko, D.","An amphiphilic, catalytically active, vitamin B12 derivative.","Chemical communications (Cambridge, England)","2014","50","36","4674","4676","10.1039/c4cc01064g","","","1.54178","CuKα","","0.0614","0.057","","","0.1518","0.1557","","","","","","1.05","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112731","25.4843","0.0004","25.4843","0.0004","4.9785","0.0001","90","","90","","120","","2800.11","0.08","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C108 H162 N18 O36 -","9","1","","Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom","2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment","MedChemComm","2011","2","6","550","","10.1039/c1md00068c","","","0.71073","MoKα","","0.0383","0.0342","","","0.072","0.0747","","","","","","1.014","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112930","26.667","0.0016","26.667","0.0016","11.771","0.0014","90","","90","","120","","7249.2","1.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","(<i>S</i>)-4<i>p</i>-Mercaptophenyl-2,2,4-Trimethylchroman and (<i>R</i>)-4<i>p</i>-Hydroxyphenyl-2,2,4-Trimethylchroman carbon tetrachloride clathrate","","- C110 H120 Cl8 O9 S3 -","- C110 H120 Cl8 O9 S3 -","- C330 H360 Cl24 O27 S9 -","3","0.333333","","Jacobs, Tia; Bredenkamp, Martin W.; Neethling, Pieter H.; Rohwer, Erich G.; Barbour, Leonard J.","Templated polar order of a guest in a quasiracemic organic host.","Chemical communications (Cambridge, England)","2010","46","44","8341","8343","10.1039/c0cc02695f","","","0.71073","MoKα","","0.0769","0.0593","","","0.1375","0.1453","","","","","","0.976","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00",""
"7114993","27.1402","0.0001","27.1402","0.0001","9.7013","0.0001","90","","90","","120","","6188.52","0.07","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C96 H78 N12 O12 W -","- C48 H39 N6 O6 W0.5 -","- C288 H234 N36 O36 W3 -","6","0.666667","","Vaid, Thomas P.; Sydora, Orson L.; Douthwaite, Richard E.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Hydrogen bonds between polyphenol (p-HOC6H4O)6W and bipyridines: (4,4′-bipy·HOC6H4O)6W and 3-D networks [{4,4′-(NC5H4)2(CH2CH2)}n{(HOC6H4O)6W}]∞(n = 2, 3)","Chemical Communications","2001","","14","1300","","10.1039/b100561h","","","0.71073","MoKα","","0.0387","0.0332","","0.0825","0.0772","","","","0.577","0.571","0.571","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115467","25.629","0.003","25.629","0.003","11.1848","0.0015","90","","90","","120","","6362.4","1.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C85 H116 Cl2 N12 O3 -","- C85.02 H116.04 Cl2.03 N12 O3 -","- C255.06 H348.12 Cl6.09 N36 O9 -","3","0.333333","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.111","0.1095","","","0.3007","0.302","","","","","","1.139","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115848","11.8093","0.001","11.8093","0.001","10.9615","0.0011","90","","90","","120","","1323.9","0.2","119.95","0.1","119.95","0.1","","","","","","","","4","R 3 :H","R 3","146","Lithium malate : fumarate","Dilithium (L-malate)0.43 (fumarate)0.57","","- C4 H2.85 Li2 O4.43 -","- C4 H2.85 Li2 O4.425 -","- C36 H25.65 Li18 O39.825 -","9","1","","Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham","Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework","Chem.Commun.","2014","50","","13292","","10.1039/C4cc06136E","","","0.7107","MoKα","","0.0736","0.0513","","","0.1208","0.1389","","","","","","1.069","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115849","11.76","0.0006","11.76","0.0006","11.0689","0.0007","90","","90","","120","","1325.71","0.13","120","0.1","120","0.1","","","","","","","","4","R 3 :H","R 3","146","Lithium malate : fumarate","","","- C4 H2.44 Li2 O4.22 -","- C4 H2.456 Li2 O4.228 -","- C36 H22.104 Li18 O38.052 -","9","1","","Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham","Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework","Chem.Commun.","2014","50","","13292","","10.1039/C4cc06136E","","","0.7107","MoKα","","0.0588","0.0425","","","0.1084","0.1236","","","","","","1.033","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115850","11.7253","0.0015","11.7253","0.0015","11.126","0.002","90","","90","","120","","1324.7","0.3","120","","120","","","","","","","","","4","R 3 :H","R 3","146","Lithium malate : fumarate","","","- C4 H2.4 Li2 O4.2 -","- C4 H2.4 Li2 O4.2 -","- C36 H21.6 Li18 O37.8 -","9","1","","Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham","Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework","Chem.Commun.","2014","50","","13292","","10.1039/C4cc06136E","","","0.7107","MoKα","","0.0997","0.0847","","","0.2339","0.2582","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116399","30.682","0.004","30.682","0.004","23.596","0.005","90","","90","","120","","19237","5","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H192 Cl8 Fe4 N36 O32 -","- C168 H192 Cl8 Fe4 N36 O31.334 -","- C504 H576 Cl24 Fe12 N108 O94.002 -","3","0.333333","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.1389","0.1042","","","0.2759","0.3113","","","","","","1.008","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116400","30.825","0.008","30.825","0.008","22.939","0.011","90","","90","","120","","18876","11","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H192 Cl8 Fe4 N36 O32 -","- C168 H192 Cl8 Fe4 N36 O31.333 -","- C504 H576 Cl24 Fe12 N108 O93.999 -","3","0.333333","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.169","0.1395","","","0.3552","0.3745","","","","","","1.287","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116403","31.4702","0.0014","31.4702","0.0014","22.296","0.002","90","","90","","120","","19123","2","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C174 H189 Cl20 Fe4 N39 O32 -","- C174 H189 Cl19.99 Fe4 N39 O31.96 -","- C522 H567 Cl59.97 Fe12 N117 O95.88 -","3","0.333333","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.0943","0.0639","","","0.1665","0.1805","","","","","","0.935","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116939","14.2192","0.00013","14.2192","0.00013","51.1145","0.0009","90","","90","","120","","8950","0.2","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","Tetrakis triphenylphosphane silver(I) perrhenate(VII)","Tetrakis triphenylphosphane silver(I) perrhenate(VII)","","- C72 H60 Ag O4 P4 Re -","- C72 H60 Ag O4 P4 Re -","- C432 H360 Ag6 O24 P24 Re6 -","6","0.666667","","F. Deiser; F. Kraus; H. Schmidbaur","Bis(triphenylphosphine)silver(I) perrhenate, a cyclic dimer","Chem.Commun.","2015","51","","6746","","10.1039/C5cc01446H","","","0.71073","MoKα","","0.0954","0.0506","","","0.128","0.1408","","","","","","0.922","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7117794","5.5125","","5.5125","","13.3295","","90","","90","","120","","350.786","","","","","","","","","","","","","4","R 3 :H","R 3","146","","La2 Mg Ge O6","","- Ge La2 Mg O6 -","- Ge La2 Mg O6 -","- Ge3 La6 Mg3 O18 -","3","0.333333","","Swaffer, M.; Slater, P.R.; Matsumura, T.; Kamiyama, T.; Gover, R.K.B.; Kanno, R.","La2 Mg Ge O6 : a novel Ge based perovskite synthesised under ambient pressure","Chemical Communications","2002","2002","","1776","1777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118066","14.9276","0.0014","14.9276","0.0014","63.398","0.011","90","","90","","120","","12234","3","100","2","100","2","","","","","","","","9","R 3 :H","R 3","146","","","","- C132 H234 F18 N8 Na O18 Sb3 Si2 U2 -","- C132 H234 F18 N8 Na O18 Sb3 Si2 U2 -","- C396 H702 F54 N24 Na3 O54 Sb9 Si6 U6 -","3","0.333333","","Henry S. La Pierre; Michael Rosenzweig; Boris Kosog; Christina Hauser; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Charge control of the inverse trans-influence","Chem.Commun.","2015","51","","16671","","10.1039/C5cc07211E","","","0.71073","MoKα","","0.0511","0.0346","","","0.0679","0.0734","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7120051","18.8323","0.0007","18.8323","0.0007","38.4958","0.0015","90","","90","","120","","11823.6","0.8","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C32 H34 O12 Zn2 -","- C32 H14 O12 Zn2 -","- C288 H126 O108 Zn18 -","9","1","","Larpen, Patrick; BASSANETTI, Irene; Corso, Romain; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Asnaghi, Donata; Comotti, Angiolina; Sozzani, Piero; Hosseini, Mir Wais","Molecular tectonics: gas adsorption and chiral uptake of (L)- and (D)- tryptophan by homochiral porous coordination polymers","Chem. Commun.","2017","","","","","10.1039/C7CC01554B","","","0.71073","MoKα","","0.1421","0.0839","","","0.2153","0.2331","","","","","","1.007","","","","has coordinates,has disorder","195857","2020-10-21","18:00:00",""
"7120052","18.9586","0.0007","18.9586","0.0007","38.0589","0.0013","90","","90","","120","","11846.8","0.7","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C30 H30 O12 Zn2 -","- C30 H26 O12 Zn2 -","- C270 H234 O108 Zn18 -","9","1","","Larpen, Patrick; BASSANETTI, Irene; Corso, Romain; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Asnaghi, Donata; Comotti, Angiolina; Sozzani, Piero; Hosseini, Mir Wais","Molecular tectonics: gas adsorption and chiral uptake of (L)- and (D)- tryptophan by homochiral porous coordination polymers","Chem. Commun.","2017","","","","","10.1039/C7CC01554B","","","0.71073","MoKα","","0.1253","0.0804","","","0.2234","0.2474","","","","","","1.02","","","","has coordinates,has disorder","195857","2020-10-21","18:00:00",""
"7121557","20.209","0.0003","20.209","0.0003","21.1201","0.0004","90","","90","","120","","7469.9","0.2","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C39 H123 N18 O28 Rh5 S15 Zn4 -","- C38.9994 H98.9982 N17.9997 O27.9994 Rh4.9999 S14.9997 Zn4 -","- C116.998 H296.995 N53.9991 O83.9982 Rh14.9997 S44.9991 Zn12 -","3","0.333333","","Yasukawa, Yuhei; Yoshinari, Nobuto; Konno, Takumi","Two-step chiral transfer from d-penicillamine to metallosupramolecular ionic crystals.","Chemical communications (Cambridge, England)","2018","54","39","5003","5006","10.1039/c8cc02619j","","","0.6","synchrotron","","0.1161","0.0908","","","0.2667","0.2922","","","","","","1.09","","","","has coordinates,has disorder","228171","2020-10-21","18:00:00",""
"7124716","28.138","0.003","28.138","0.003","4.4445","0.0005","90","","90","","120","","3047.5","0.6","120","2","120","2","","","","","","","","5","R 3 :H","R 3","146","","tris-(4-methylthiazolyl)cyclotriguaiacylene nitromethane clathrate","","- C39 H42 N6 O12 S3 -","- C39 H42 N6 O12 S3 -","- C117 H126 N18 O36 S9 -","3","0.333333","","Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J.","M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand.","Chemical communications (Cambridge, England)","2016","52","56","8699","8702","10.1039/c6cc04130b","","x-ray","1.54184","CuKα","","0.0965","0.0719","","","0.1663","0.1873","","","","","","1.052","","","","has coordinates","234157","2020-10-21","18:00:00",""
"7126587","27.6807","0.0005","27.6807","0.0005","9.6164","0.0003","90","","90","","120","","6381.1","0.3","293.3","0.7","293.3","0.7","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H27 N O4 S -","- C33 H27 N O4 S -","- C297 H243 N9 O36 S9 -","9","1","","Jiang, Bo; Du, Wei; Chen, Ying-Chun","Modified cinchona alkaloid-catalysed enantioselective [4+4] annulations of cyclobutenones and 1-azadienes.","Chemical communications (Cambridge, England)","2020","56","53","7257","7260","10.1039/d0cc02836c","","x-ray","1.54184","CuKα","","0.0527","0.0507","","","0.1402","0.1448","","","","","","1.056","","","","has coordinates","253780","2020-10-21","18:00:00",""
"7127990","28.1257","0.0008","28.1257","0.0008","8.102","0.0003","90","","90","","120","","5550.5","0.3","144","2","144","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C28 H26 O9 -","- C28 H26 O9 -","- C252 H234 O81 -","9","1","","Tan, Qingfa; Yu, Han; Luo, Yao; Chang, Fenzhen; Liu, Xiaohua; Zhou, Yuqiao; Feng, Xiaoming","Asymmetric catalytic [4+3] cycloaddition of ortho-quinone methides with oxiranes.","Chemical communications (Cambridge, England)","2021","57","24","3018","3021","10.1039/d1cc00262g","","","1.54178","CuKα","","0.1051","0.0972","","","0.2163","0.231","","","","","","1.213","","","","has coordinates","263615","2021-04-05","13:52:06",""
"7128307","18.8354","0.001","18.8354","0.001","8.3709","0.0006","90","","90","","120","","2571.9","0.3","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C30 H45 Al3 As I3 -","- C30 H45 Al3 As I3 -","- C90 H135 Al9 As3 I9 -","3","0.333333","","Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","Reactivity of mono- and divalent aluminium compounds towards group 15 nanoparticles.","Chemical communications (Cambridge, England)","2021","57","45","5503","5506","10.1039/d1cc01475g","","x-ray","0.71073","MoKα","","0.0231","0.0209","","","0.0473","0.0476","","","","","","1.069","","","","has coordinates","265900","2021-06-05","17:32:54",""
"7128442","19.234","0.005","19.234","0.005","8.042","0.005","90","0.005","90","0.005","120","0.005","2576.5","1.9","193","2","193","2","","","","","","","","4","R 3 :H","R 3","146","[(Cp*)Sc]3(CH)","","","- C31 H46 Br3 Sc3 -","- C31 H46 Br3 Sc3 -","- C93 H138 Br9 Sc9 -","3","0.333333","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.0405","0.0353","","","0.0747","0.0759","","","","","","0.943","","","","has coordinates","267011","2021-07-05","16:15:32",""
"7130358","14.653","0.007","14.653","0.007","35.912","0.017","90","","90","","120","","6678","6","","","298","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C13.64 H25.22 N O15.67 Zr2 -","- C13.64 H25.22 N O15.6667 Zr2 -","- C122.76 H226.98 N9 O141 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130359","14.63","0.06","14.63","0.06","35.93","0.14","90","","90","","120","","6660","5","","","298","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C20.16 H29.79 N2.52 O12.19 Zr2 -","- C20.16 H29.79 N2.52 O12.1867 Zr2 -","- C181.44 H268.11 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130360","14.66","0.03","14.66","0.03","35.98","0.08","90","","90","","120","","6697","2","","","","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C23.96 H37.39 N2.52 O12.19 Zr2 -","- C23.96 H37.39 N2.52 O12.1867 Zr2 -","- C215.64 H336.51 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130361","14.62","0.06","14.62","0.06","35.67","0.15","90","","90","","120","","6603","5","","","298","","","","","","","","see text","6","R 3 :H","R 3","146","","","","- C13.64 H22.22 As N O15.67 Zr2 -","- C13.64 H22.22 As N O15.6667 Zr2 -","- C122.76 H199.98 As9 N9 O141 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130362","14.6","0.03","14.6","0.03","35.81","0.07","90","","90","","120","","6611","2","","","298","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C19.26 H28.04 N2.52 O12.19 Zr2 -","- C19.26 H28.04 N2.52 O12.1867 Zr2 -","- C173.34 H252.36 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130363","14.714","0.005","14.714","0.005","36.044","0.012","90","","90","","120","","6758","4","","","","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C21.11 H31.69 N2.52 O12.19 Zr2 -","- C21.11 H31.69 N2.52 O12.1867 Zr2 -","- C189.99 H285.21 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130364","14.62","0.04","14.62","0.04","35.74","0.1","90","","90","","120","","6616","3","","","298","","","","","","","","see text","6","R 3 :H","R 3","146","","","","- C13.64 H24.22 As N O15.67 Zr2 -","- C13.64 H24.22 As N O15.6667 Zr2 -","- C122.76 H217.98 As9 N9 O141 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130516","16.905","0.005","16.905","0.005","8.039","0.003","90","","90","","120","","1989.6","1.1","90","2","90","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C30 H51 B -","- C30 H51 B -","- C90 H153 B3 -","3","0.333333","","Mears, Kristian; Kutzleb, Michelle; Stennett, Cary; Fettinger, James C.; Kaseman, Derrick; Yu, Ping; Vasko, Petra; Power, Philip P.","Terpene Dispersion Energy Donor Ligands in Borane Complexes","Chemical Communications","2022","","","","","10.1039/D2CC04203G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0918","0.0927","","","","","","1.076","","","","has coordinates","277214","2022-08-12","21:51:32",""
"7130517","18.59","0.002","18.59","0.002","7.7698","0.0009","90","","90","","120","","2325.4","0.4","90","2","90","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C33 H60 B P -","- C33 H60 B P -","- C99 H180 B3 P3 -","3","0.333333","","Mears, Kristian; Kutzleb, Michelle; Stennett, Cary; Fettinger, James C.; Kaseman, Derrick; Yu, Ping; Vasko, Petra; Power, Philip P.","Terpene Dispersion Energy Donor Ligands in Borane Complexes","Chemical Communications","2022","","","","","10.1039/D2CC04203G","","","0.71073","MoKα","","0.0258","0.0251","","","0.0608","0.0614","","","","","","1.06","","","","has coordinates","277214","2022-08-12","21:51:33",""
"7131873","31.8395","0.0003","31.8395","0.0003","8.583","0.0001","90","","90","","120","","7535.33","0.13","100","0.1","100","0.1","","","","","","","","5","R 3 :H","R 3","146","","","","- C40 H24 Cl2 F6 N4 -","- C40 H24 Cl2 F6 N4 -","- C360 H216 Cl18 F54 N36 -","9","1","","Cheng, Xiuliang; He, Yuhang; Song, Silin; Lin, Yu-Mei; Gong, Lei","A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes","Chemical Communications","2023","","","","","10.1039/D3CC02968A","","x-ray","1.54184","CuKα","","0.043","0.0425","","","0.1127","0.1133","","","","","","1.057","","","","has coordinates","285156","2023-07-11","22:01:37",""
"7132373","28.285","0.003","28.285","0.003","10.0973","0.0012","90","","90","","120","","6996","1.3","100.15","","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C40 H29 B N O2 P -","- C40 H29 B N O2 P -","- C360 H261 B9 N9 O18 P9 -","9","1","","Leinauer, Luisa; Parla, Giorgio; Messelbeger, Julian; Herrera, Alberto; Heinemann, Frank W.; Langer, Jens; Chuchelkin, Ilya; Grasruck, Alexander; Frieß, Sibylle; Chelouan, Ahmed; Gavrilov, Konstantin; Dorta, Romano","Evolution of a 'privileged' P-alkene ligand: added planar chirality beats BINOL axial chirality in catalytic asymmetric C-C bond formation.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04972h","","","0.71073","MoKα","","0.0683","0.0589","","","0.1241","0.1294","","","","","","1.21","","","","has coordinates","287692","2023-11-20","22:57:54",""
"7151979","20.3125","0.0012","20.3125","0.0012","15.9673","0.0011","90","","90","","120","","5705.4","0.6","291","2","291","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C225 H216 Br9 N9 O27 -","9","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","1.54184","CuKα","","0.1031","0.0842","","","0.1875","0.198","","","","","","1.082","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7153403","23.3363","0.0009","23.3363","0.0009","12.2187","0.0005","90","","90","","120","","5762.6","0.4","173","2","173","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C86 H96 N10 -","- C86 H96.06 N10 -","- C258 H288.18 N30 -","3","0.333333","","Savoia, Diego; Gualandi, Andrea; Stoeckli-Evans, Helen","Stereoselective synthesis of ring C-hexasubstituted trianglamines.","Organic & biomolecular chemistry","2010","8","17","3992","3996","10.1039/c004873a","","","0.71073","MoKα","","0.0533","0.0472","","","0.1177","0.1206","","","","","","1.076","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7155516","19.0072","0.0009","19.0072","0.0009","5.7243","0.0003","90","","90","","120","","1790.97","0.15","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C10 H10 O -","- C10 H10 O -","- C90 H90 O9 -","9","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0812","0.0773","","","0.2082","0.2129","","","","","","1.121","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7157180","23.51","0.002","23.51","0.002","4.8517","0.0006","90","","90","","120","","2322.4","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C11 H9 F3 N2 -","- C11 H9 F3 N2 -","- C99 H81 F27 N18 -","9","1","","Chen, Suo; Wang, Hui; Jiang, Wei; Rui, Pei-Xin; Hu, Xiang-Guo","Synthesis of Tri(di)fluoroethylanilines via Copper-Catalyzed Coupling Reaction of Tri(di)fluoroethylamine with (Hetero)Aromatic Bromides","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02271F","","","0.71073","MoKα","","0.0529","0.0484","","","0.1255","0.1295","","","","","","1.073","","","","has coordinates","223284","2020-10-21","18:00:00",""
"7157337","23.4012","0.0007","23.4012","0.0007","5.73617","0.00017","90","","90","","120","","2720.38","0.14","173","0.1","173","0.1","","","","","","","","4","R 3 :H","R 3","146","","","","- C14 H3 N2 O -","- C14 H3 N2 O -","- C126 H27 N18 O9 -","9","1","","Liu, Xiangyu; Song, Heng; Zhai, Xiaofang; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed regioselective hydrohydrazination of epoxides.","Organic & biomolecular chemistry","2020","18","8","1572","1576","10.1039/d0ob00037j","","x-ray","1.54184","CuKα","","0.0746","0.0682","","","0.1882","0.2135","","","","","","1.102","","","","has coordinates","249024","2020-10-21","18:00:00",""
"7158087","26.9719","0.0007","26.9719","0.0007","11.6599","0.0003","90","","90","","120","","7346","0.3","150","0.2","150","0.2","","","","","","","","6","R 3 :H","R 3","146","","","","- C13 H21 Br N O3 P -","- C13 H21 Br N O3 P -","- C234 H378 Br18 N18 O54 P18 -","18","2","","Maleckis, Ansis; Herath, Iresha D.; Otting, Gottfried","Synthesis of <sup>13</sup>C/<sup>19</sup>F/<sup>2</sup>H labeled indoles for use as tryptophan precursors for protein NMR spectroscopy.","Organic & biomolecular chemistry","2021","19","23","5133","5147","10.1039/d1ob00611h","","x-ray","1.54184","CuKα","","0.0522","0.0512","","","0.1344","0.1357","","","","","","1.0281","","","","has coordinates","267252","2021-07-05","18:15:17",""
"7158559","28.7071","0.0004","28.7071","0.0004","25.9528","0.0004","90","","90","","120","","18522.2","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","6","","- C81 H66 F2 N4 O6 -","- C81 H66 F2 N4 O6 -","- C729 H594 F18 N36 O54 -","9","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","x-ray","1.54178","CuKα","","0.0641","0.0402","","","0.0987","0.1101","","","","","","1.025","","","","has coordinates,has disorder","273548","2022-03-09","01:37:20",""
"7158823","29.2329","0.0006","29.2329","0.0006","6.01889","0.00012","90","","90","","120","","4454.42","0.16","298","2","298","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H16 F3 N O S2 -","- C21 H16 F3 N O S2 -","- C189 H144 F27 N9 O9 S18 -","9","1","","Soni, Sonam; Shukla, Gaurav; Singh, Maya Shankar","Magnesium catalyzed [3 + 3] heteroannulation of α-enolic dithioesters with MBH acetate: access to functionalized 3,4-dihydro-2H-thiopyrans","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01258H","","x-ray","1.54184","CuKα","","0.0441","0.0435","","","0.126","0.1271","","","","","","1.0765","","","","has coordinates","277235","2022-08-13","00:41:17",""
"7159485","23.599","0.0006","23.599","0.0006","10.4104","0.0004","90","","90","","120","","5020.9","0.3","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H23 F3 N2 O4 -","- C16 H23 F3 N2 O4 -","- C144 H207 F27 N18 O36 -","9","1","","Ghosh, Arun K.; Yadav, Monika","Synthesis of optically active SARS-CoV-2 Mpro inhibitor drug nirmatrelvir (Paxlovid): an approved treatment of COVID-19.","Organic & biomolecular chemistry","2023","21","28","5768","5774","10.1039/d3ob00653k","","","1.54178","CuKα","","0.0262","0.0258","","","0.0692","0.0695","","","","","","1.063","","","","has coordinates,has disorder","285292","2023-07-20","00:52:13",""
"7159912","10.5689","0.0015","10.5689","0.0015","8.3975","0.0017","90","","90","","120","","812.3","0.2","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C9 H18 B N -","- C9 H18 B N -","- C27 H54 B3 N3 -","3","0.333333","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","0.9699","synchrotron","","0.1009","0.0721","","","0.161","0.1861","","","","","","0.871","","","","has coordinates","291331","2024-04-23","01:13:18",""
"7201864","39.7978","0.0003","39.7978","0.0003","10.1735","0.0002","90","","90","","120","","13954.7","0.3","203","2","203","2","","","","","","","","5","R 3 :H","R 3","146","Tris(aqua-ethanol-di(mu4-terephthaloyl-bis(L- phenylalaninato))dicopper(ii)) hydrate","Tris[aqua-ethanol-di(μ4-terephthaloyl- bis(L-phenylalaninato))dicopper(II)] hydrate","","- C163 H156 Cu6 N12 O70 -","- C162.99 H156 Cu6 N12 O70.03 -","- C488.97 H468 Cu18 N36 O210.09 -","3","0.333333","","Wisser, Barbara; Chamayou, Anne-Christine; Miller, Robert; Scherer, Wolfgang; Janiak, Christoph","A chiral C3-symmetric hexanuclear triangular-prismatic copper(ii) cluster derived from a highly modular dipeptidic N,N′-terephthaloyl-bis(S-aminocarboxylato) ligand","CrystEngComm","2008","10","5","461","","10.1039/b717207a","","","0.71073","MoKα","","0.1179","0.0579","","","0.0952","0.114","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202734","25.284","0.0003","25.284","0.0003","12.1961","0.0003","90","","90","","120","","6752.2","0.2","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C93 H97 Cu3 N9 O26 -","- C93 H87 Cu3 N9 O21 -","- C279 H261 Cu9 N27 O63 -","3","0.333333","","Jeong, Kyung Seok; Kim, Sun Young; Oh, Youjin; Min, Dong Won; Kim, Jaheon; Jeong, Nakcheol","A chiral trianglular coordination complex derived from (S,S)-1,2-dimethoxy-di-4-(2?-carboxyl-5?-pyridyl)phenyl ethane and Cu(ii) by self-assembly","CrystEngComm","2007","9","4","273","","10.1039/b701121k","","","0.71073","MoKα","","0.0984","0.059","","","0.1464","0.1598","","","","","","1.039","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7204535","27.263","0.002","27.263","0.002","9.4764","0.001","90","","90","","120","","6099.9","0.9","150","2","150","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C35.67 H33.33 N1.33 O1.33 -","- C35 H31 N O -","- C315 H279 N9 O9 -","9","1","","Bulman Page, Philip C.; Allin, Steven M.; Maddocks, Suzanne J.; Elsegood, Mark R. J.","New ligands for asymmetric diethylzinc additions to aromatic aldehydes, demonstrating substrate-dependent nonlinear effects","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2827","","10.1039/b208810j","","","0.71073","MoKα","","0.0896","0.0694","","","0.1697","0.178","","","","","","1.077","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7208119","24.2284","0.001","24.2284","0.001","20.6629","0.0016","90","","90","","120","","10504.4","1","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36 H50.67 Ag2.67 Cl2.67 N8 O12 -","- C36 H50.6633 Ag2.66667 Cl2.66667 N8 O12 -","- C324 H455.97 Ag24 Cl24 N72 O108 -","9","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.08","0.0489","","","0.0954","0.1146","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208543","17.132","0.0004","17.132","0.0004","29.2524","0.0009","90","","90","","120","","7435.5","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H94 Co N6 O12 -","- C120 H94.02 Co N6 O12 -","- C360 H282.06 Co3 N18 O36 -","3","0.333333","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1256","0.0941","","","0.2323","0.2411","","","","","","1.198","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7209053","20.274","0.003","20.274","0.003","11.094","0.002","90","","90","","120","","3949.1","1.1","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C49 H64 Cu3 N6 O13 -","- C49.02 H60.03 Cu3 N6 O12.99 -","- C147.06 H180.09 Cu9 N18 O38.97 -","3","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0384","","","0.075","0.0783","","","","","","1.017","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209214","25.1719","0.0005","25.1719","0.0005","10.8188","0.0003","90","","90","","120","","5936.7","0.2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C24 H32 Cl2 Cu N4 O4 -","- C24 H32 Cl2 Cu N4 O4 -","- C216 H288 Cl18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0697","0.0406","","","0.0647","0.0686","","","","","","1.089","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209215","25.4049","0.0003","25.4049","0.0003","10.6802","0.0002","90","","90","","120","","5969.6","0.15","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C23 H30 Br2 Cu N4 O4 -","- C23 H30 Br2 Cu N4 O4 -","- C207 H270 Br18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0688","0.059","","","0.134","0.1371","","","","","","1.026","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209373","8.176","","8.176","","20.027","","90","","90","","120","","1159.39","","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Ag8 Ge Te6 -","- Ag7.95 Ge Te6 -","- Ag23.85 Ge3 Te18 -","3","0.333333","","Range, K.J.; von Unterrichter, J.","Ag8 Ge Te6, ein Vertreter der Argyroditfamilie","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","866","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7211130","38.522","0.005","38.522","0.005","3.9027","0.0005","90","","90","","120","","5015.5","1.1","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","Ethenzamide HNO3 salt","","","- C54 H57 N15 O37 -","- C54 H57 N15 O37 -","- C162 H171 N45 O111 -","3","0.333333","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0852","0.065","","","0.2001","0.2149","","","","","","1.517","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7213443","18.759","0.002","18.759","0.002","12.252","0.0016","90","","90","","120","","3733.9","0.7","213","2","213","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C171 H198 O18 -","9","1","","Bickley, Jamie F.; Gillmore, Adam T.; Roberts, Stanley M.; Skidmore, John; Steiner, Alexander","Synthesis and reactions of some optically active epoxides formally derived from tertiary allylic alcohols","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1109","","10.1039/b008275i","","","0.71073","MoKα","","0.0364","0.0336","","","0.0796","0.0806","","","","","","1.037","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213602","21.9957","0.0002","21.9957","0.0002","14.0739","0.0001","90","","90","","120","","5896.86","0.09","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","2","","","- C20 H20 Ag2 Cl2 N4 O12 -","- C20 H20 Ag2 Cl2 N4 O12 -","- C180 H180 Ag18 Cl18 N36 O108 -","9","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0504","0.0512","","","","","","1.158","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7214294","21.3657","0.0007","21.3657","0.0007","38.4108","0.0014","90","","90","","120","","15185.1","0.9","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H194 K8 O77 U8 -","- C120 H168 K8.01 O77 U8 -","- C360 H504 K24.03 O231 U24 -","3","0.333333","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0961","0.063","","","0.1569","0.1692","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214644","14.0511","0.0008","14.0511","0.0008","22.6054","0.0016","90","","90","","120","","3865.1","0.4","130","2","130","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C114.96 H129.96 B12 Cu12 F48 N39 O0.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0273","0.0272","","","0.0722","0.0723","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214645","14.448","0.014","14.448","0.014","21.25","0.02","90","","90","","120","","3842","6","119","2","119","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C108.99 H126 Cl12 Cu12 N36 O48.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0574","0.0494","","","0.1252","0.1293","","","","","","1.122","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214646","14.3797","0.0015","14.3797","0.0015","23.083","0.003","90","","90","","120","","4133.5","0.8","120","2","120","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C37 H30 Cu4 F24 N14 O3 P4 -","- C37 H35.94 Cu4 F24 N14 O3 P4 -","- C111 H107.82 Cu12 F72 N42 O9 P12 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0639","0.0567","","","0.1198","0.1231","","","","","","1.076","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7215991","7.4011","0.0005","7.4011","0.0005","8.3856","0.0016","90","","90","","120","","397.79","0.08","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0216","0.0209","","","0.0516","0.0522","","","","","","1.175","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215992","7.3983","0.001","7.3983","0.001","8.346","0.002","90","","90","","120","","395.62","0.12","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0373","0.0362","","","0.0923","0.0949","","","","","","1.087","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215993","7.3952","0.001","7.3952","0.001","8.2763","0.0013","90","","90","","120","","391.98","0.1","295","2","295","2","","","1030000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0454","0.0397","","","0.0815","0.0842","","","","","","1.197","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215994","7.3751","0.0006","7.3751","0.0006","8.127","0.0007","90","","90","","120","","382.82","0.06","295","2","295","2","","","1380000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0571","0.0563","","","0.1317","0.1323","","","","","","1.312","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215995","7.3558","0.0004","7.3558","0.0004","7.989","0.002","90","","90","","120","","374.35","0.1","295","2","295","2","","","1870000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0309","0.0307","","","0.0837","0.0841","","","","","","1.214","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7221067","15.875","","15.875","","20.752","","90","","90","","120","","4529.16","","","","","","","","","","","","","2","R 3 :H","R 3","146","","H3 (P Mo12 O40)","","- Mo12 P -","- Mo12 P -","- Mo72 P6 -","6","0.666667","","Marosi, L.; Escalona Platero, E.; Cifre, J.; Otero Arean, C.","Thermal dehydration of H3+x P Vx M12-x O40 . y(H2 O) Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3 P M12 O40, of the corresponding anhydrides P M12 O38.5 and of a novel trihydrate H3 P W12 O40","Journal of Materials Chemistry","2000","10","","1949","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221221","9.066","","9.066","","17.45","","90","","90","","120","","1242.1","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Al2 (H2 P O4)3 (H2 O)6 (P O4)","","- Al2 H18 O22 P4 -","- Al2 O22 P4 -","- Al6 O66 P12 -","3","0.333333","","Kniep, R.; Wilms, A.","Zur Strukturchemie der Phase Al2 O3 (P2 O5)2 (H2 O)9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","750","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221349","5.393","","5.393","","15.084","","90","","90","","120","","379.934","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Li7 (Sb O6)","","- Li7 O6 Sb -","- Li7 O6 Sb -","- Li21 O18 Sb3 -","3","0.333333","","Hauck, J.","Zur Kristallstruktur des Li7 Sb O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","252","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221505","9.629","","9.629","","8.692","","90","","90","","120","","697.931","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Li3 (V O4) (H2 O)6","","- H12 Li3 O10 V -","- Li3 O10 V -","- Li9 O30 V3 -","3","0.333333","","Schnabel, S.; Roehr, C.","Hydrates of Li3 V O4: synthesis and structural chemistry","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221670","24.752","0.002","24.752","0.002","5.0591","0.0006","90","","90","","120","","2684.3","0.4","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C10 H15 Cl O4 -","- C10 H15 Cl O4 -","- C90 H135 Cl9 O36 -","9","1","","Zhu, Weiming; Kong, Fandong; Zhao, Chengying; Hao, Jie; Wang, Cong; Wang, Wei; Huang, Xiaolong","New α-Glucosidase Inhibitors from a Marine Sponge-derived Fungus Aspergillus sp. OUCMDZ-1583","RSC Adv.","2015","","","","","10.1039/C5RA11185D","","","0.71073","MoKα","","0.0532","0.0378","","","0.0787","0.0865","","","","","","1.052","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7225236","12.4887","0.0007","12.4887","0.0007","39.986","0.005","90","","90","","120","","5401","0.8","292","2","292","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 N12 Ni2 O48 Sb6 V15 -","- C12 H42 N12 Ni2 O48 Sb6 V15 -","- C36 H126 N36 Ni6 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0995","0.089","","","0.2245","0.2432","","","","","","1.076","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225237","12.4543","0.0018","12.4543","0.0018","39.916","0.008","90","","90","","120","","5361.9","1.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 Co2 N12 O48 Sb6 V15 -","- C12 H42 Co2 N12 O48 Sb6 V15 -","- C36 H126 Co6 N36 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0608","0.0501","","","0.1324","0.1415","","","","","","1.038","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7227186","22.535","0.003","22.535","0.003","29.635","0.006","90","","90","","120","","13033","4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C141 H167 Cu9 N21 O55 -","- C141 H135 Cu9 N21 O55 -","- C423 H405 Cu27 N63 O165 -","3","0.333333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.7293","","","0.0668","0.0654","","","0.1803","0.1829","","","","","","1.059","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227993","27.6575","0.0015","27.6575","0.0015","10.9557","0.0014","90","","90","","120","","7257.7","1.1","290","1","290","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type I cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C37.9998 H45.3328 O3.6666 S -","- C341.998 H407.995 O32.9994 S9 -","9","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0411","0.0397","","","0.116","0.1186","","","","","","1.006","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227997","55.0808","0.0009","55.0808","0.0009","10.8542","0.0002","90","","90","","120","","28518.6","0.8","90","1","90","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type II cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C38 H45.3332 O3.66666 S -","- C1368 H1632 O132 S36 -","36","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0317","0.0312","","","0.081","0.0815","","","","","","1.04","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7228402","13.9212","0.0002","13.9212","0.0002","22.6133","0.0005","90","","90","","120","","3795.32","0.11","295","","295","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8 H18 Mg2 N2 O13 -","- C8 H18 Mg2 N2 O13 -","- C72 H162 Mg18 N18 O117 -","9","1","","Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard","Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02301D","","","0.71073","MoKα","","0.0318","0.0311","","","0.0848","0.0851","","","","","","1.14","","","","has coordinates","197596","2020-10-21","18:00:00",""
"7228404","13.958","0.0002","13.958","0.0002","22.4646","0.0004","90","","90","","120","","3790.32","0.1","295","","295","","","","","","","","","5","R 3 :H","R 3","146","","","","- C8 H18 N2 O13 Zn2 -","- C8 H18 N2 O13 Zn2 -","- C72 H162 N18 O117 Zn18 -","9","1","","Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard","Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02301D","","","0.71073","MoKα","","0.0518","0.0511","","","0.1124","0.1127","","","","","","1.259","","","","has coordinates,has disorder","197596","2020-10-21","18:00:00",""
"7228859","26.5576","0.0005","26.5576","0.0005","11.1274","0.0004","90","","90","","120","","6796.8","0.3","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ03 Quasiracemate, 4S-Dianins, 2S,4R nor analogue0.33 Tetrachloromethane solvate","4S-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 2S,4R-4-p-hydroxyphenyl-2,4-dimethylchroman, 0.33 Tetrachloromethane solvate","","- C35.33333 H38 Cl1.33333 O4 -","- C35.3333 H38 Cl1.33333 O4 -","- C318 H342 Cl12 O36 -","9","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0346","0.0331","","","0.088","0.0931","","","","","","1.001","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7228860","26.3307","0.0003","26.3307","0.0003","11.1874","0.0003","90","","90","","120","","6717.1","0.2","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ02 Quasiracemate, 2R,4R AND 2R,4S nor methyl analogues0.33 Tetrachloromethane solvate","2R,4R-4-p-hydroxyphenyl-2,4-dimethylchroman,2R,4S-4-p-hydroxyphenyl-2,4-dimethylchroman.0.33 Tetrachloromethane solvate","","- C103 H108 Cl4 O12 -","- C103 H108 Cl4 O12 -","- C309 H324 Cl12 O36 -","3","0.333333","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0493","0.0489","","","0.1353","0.1363","","","","","","1.061","","","","has coordinates,has disorder","199628","2020-10-21","18:00:00",""
"7230085","18.3054","0.0007","18.3054","0.0007","24.9411","0.0019","90","","90","","120","","7237.8","0.7","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H42 N6 O86 P2 S6 W24 -","- C30 H30 N6 O86 P2 S6 W24 -","- C90 H90 N18 O258 P6 S18 W72 -","3","0.333333","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0325","0.0317","","","0.0718","0.0723","","","","","","1.055","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7231092","28.5523","0.0008","28.5523","0.0008","28.3085","0.001","90","","90","","120","","19986.2","1.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","poly-{[tris(mu7-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':k2O'''',O''''':kO'''':kO''''')bis(mu9-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO:kO':kO'':kO'':kO''':kO'''':kO'''':kO''''')(mu6-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':kO'''':kO''''')nonakis(dimethylformamide)octadecacalcium(II)] heneicosa(dimetylfomramide)}","","- C84 H100 Ca3 N10 O22 -","- C66 H58 Ca3 N4 O16 -","- C594 H522 Ca27 N36 O144 -","9","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0933","0.0637","","","0.1558","0.1697","","","","","","0.991","","","","has coordinates","228950","2020-10-21","18:00:00",""
"7234200","7.8406","0.0011","7.8406","0.0011","46.557","0.009","90","","90","","120","","2478.6","0.7","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- B79 Ba6 Bi9 O138 -","- B79.0002 Ba6 Bi9 O138 -","- B79.0002 Ba6 Bi9 O138 -","1","0.111111","","Rihong Cong; Zhengyang Zhou; Qiaoqi Li; Junliang Sun; Jianhua Lin; Tao Yang","Approaching the structure of REBaB9O16 (RE = rare earth) by characterization of a new analogue Ba6Bi9B79O138","Journal of Materials Chemistry C","2015","3","","4431","4437","10.1039/C5TC00560D","","","0.71073","MoKα","","0.0498","0.0453","","","0.129","0.1326","","","","","","1.082","","","","has coordinates","218876","2020-10-21","18:00:00",""
"7234488","10.1449","0.0014","10.1449","0.0014","9.249","0.0018","90","","90","","120","","824.4","0.2","153.15","0.02","153.15","0.02","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Se6 Sn -","- Ba Ga2.01 Se6 Sn0.99 -","- Ba3 Ga6.03 Se18 Sn2.97 -","3","0.333333","","Xiaoshuang Li; Chao Li; Pifu Gong; Zheshuai Lin; Jiyong Yao; Yicheng Wu","BaGa2SnSe6: a new phase-matchable IR nonlinear optical material with strong second harmonic generation response","Journal of Materials Chemistry C","2015","3","","10998","11004","10.1039/C5TC02337H","","","0.71073","MoKα","","0.0246","0.0228","","","0.0408","0.0413","","","","","","0.793","","","","has coordinates","219194","2020-10-21","18:00:00",""
"7234538","27.1659","0.0011","27.1659","0.0011","7.652","0.0004","90","","90","","120","","4890.5","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","2","","- C63 H63 Dy O27 -","- C63 H63 Dy O27 -","- C189 H189 Dy3 O81 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.7","synchrotron","","0.0428","0.0425","","","0.1037","0.1042","","","","","","1.084","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234539","27.1871","0.0007","27.1871","0.0007","7.6178","0.0004","90","","90","","120","","4876.3","0.3","300","2","300","2","","","","","","","","4","R 3 :H","R 3","146","","1","","- C63 H63 O27 Tb -","- C63 H63 O27 Tb -","- C189 H189 O81 Tb3 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.71073","MoKα","","0.0384","0.0383","","","0.0934","0.0935","","","","","","0.984","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234540","27.0729","0.0011","27.0729","0.0011","7.637","0.0004","90","","90","","120","","4847.6","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","3","","- C63 H63 Ho O27 -","- C63 H63 Ho O27 -","- C189 H189 Ho3 O81 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.72","synchrotron","","0.0615","0.0615","","","0.1504","0.1504","","","","","","1.128","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7235052","28.0947","0.0013","28.0947","0.0013","3.71428","0.00016","90","","90","","120","","2538.9","0.2","298","","298","","","","","","","","see text","4","R 3 :H","R 3","146","","","eu_antr3","- C45 H27 Eu O6 -","- C45 H27 Eu O6 -","- C135 H81 Eu3 O18 -","3","0.333333","","Valentina V. Utochnikova; Alena S. Kalyakina; Ivan S. Bushmarinov; Andrey A. Vashchenko; Lukasz Marciniak; Anna M. Kaczmarek; Rik Van Deun; Stefan Brase; Natalia P. Kuzmina","Lanthanide 9-anthracenate: solution processable emitters for efficient purely NIR emitting host-free OLEDs","Journal of Materials Chemistry C","2016","4","","9848","9855","10.1039/C6TC03586H","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.006","2.448","","","","","","","has coordinates","227766","2020-10-21","18:00:00",""
"7235053","21.337","0.003","21.337","0.003","8.7908","0.0011","90","","90","","120","","3466","0.8","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C51 H45.64 O9.48 S3 Yb -","- C51 H45.64 O9.48 S3 Yb -","- C153 H136.92 O28.44 S9 Yb3 -","3","0.333333","","Valentina V. Utochnikova; Alena S. Kalyakina; Ivan S. Bushmarinov; Andrey A. Vashchenko; Lukasz Marciniak; Anna M. Kaczmarek; Rik Van Deun; Stefan Brase; Natalia P. Kuzmina","Lanthanide 9-anthracenate: solution processable emitters for efficient purely NIR emitting host-free OLEDs","Journal of Materials Chemistry C","2016","4","","9848","9855","10.1039/C6TC03586H","","x-ray","1.54178","CuKα","","0.0177","0.0177","","","0.0426","0.0427","","","","","","1.062","","","","has coordinates,has disorder","227766","2020-10-21","18:00:00",""
"7238019","14.018","0.0012","14.018","0.0012","11.1505","0.0019","90","","90","","120","","1897.6","0.4","160","2","160","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Br3 N O7 Zn -","- C16 H37.995 Br3 N O7 Zn -","- C48 H113.985 Br9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Isostructural phase transition and tunable water rotation within a unique solid rotor system","Journal of Materials Chemistry C","2019","7","42","13176","","10.1039/C9TC04765D","","","0.71073","MoKα","","0.0549","0.0534","","","0.1234","0.1247","","","","","","1.136","","","","has coordinates,has disorder","238841","2020-10-21","18:00:00",""
"7238020","14.1219","0.0001","14.1219","0.0001","11.3624","0.0003","90","","90","","120","","1962.4","0.06","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Br3 N O7 Zn -","- C16 H38.0001 Br3 N O7 Zn -","- C48 H114 Br9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Isostructural phase transition and tunable water rotation within a unique solid rotor system","Journal of Materials Chemistry C","2019","7","42","13176","","10.1039/C9TC04765D","","","0.71073","MoKα","","0.0733","0.0429","","","0.1056","0.1184","","","","","","1.01","","","","has coordinates","238841","2020-10-21","18:00:00",""
"7238514","12.3811","0.0005","12.3811","0.0005","41.398","0.003","90","","90","","120","","5495.8","0.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","(Co(N4C6H18)(H2O))3V15Sb6O42(H2O)H2O","","","- C18 H58 Co3 N12 O47 Sb6 V15 -","- C18 H54 Co3 N12 O47.6 Sb6 V15 -","- C54 H162 Co9 N36 O142.8 Sb18 V45 -","3","0.333333","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0355","0.0301","","","0.0703","0.0724","","","","","","0.996","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7239398","15.5989","0.0017","15.5989","0.0017","11.1271","0.0009","90","","90","","120","","2344.8","0.4","93","","93","","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H39 Ag Cl N O4 S3 -","- C30 H39 Ag Cl N O4 S3 -","- C90 H117 Ag3 Cl3 N3 O12 S9 -","3","0.333333","","Hiruta, Yuki; Watanabe, Takafumi; Nakamura, Etsuko; Iwasawa, Naoko; Sato, Hiroyasu; Hamada, Kensaku; Citterio, Daniel; Suzuki, Koji","Steric hindrance effects in tripodal ligands for extraction and back-extraction of Ag+","RSC Advances","2014","4","19","9791","","10.1039/c3ra45700a","","","0.71075","MoKα","","","0.0388","","","","0.098","","","","","","1.104","","","","has coordinates","244680","2020-10-21","18:00:00",""
"7245344","9.8648","0.0005","9.8648","0.0005","13.7921","0.0017","90","","90","","120","","1162.35","0.17","298.15","","298.15","","","","","","","","","5","R 3 :H","R 3","146","","[MDABCO]CsI3","","- C7 H16 Cs I3 N2 -","- C7 H16 Cs I3 N2 -","- C21 H48 Cs3 I9 N6 -","3","0.333333","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","","0.534","synchrotron","","0.0394","0.0393","","","0.1139","0.1141","","","","","","1.199","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7700768","22.1339","0.0005","22.1339","0.0005","26.645","0.0006","90","","90","","120","","11304.8","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C126 H90 Co6 O40 Zn7 -","- C126 H90 Co6 O40 Zn7 -","- C378 H270 Co18 O120 Zn21 -","3","0.333333","","Nawrocki, Jan; Prochowicz, Daniel; Justyniak, Iwona; van Leusen, Jan; Kornowicz, Arkadiusz; Kögerler, Paul; Lewiński, Janusz","Synthesis, structure and magnetic properties of a novel high-nuclearity oxo-carboxylate [Zn<sub>x</sub>Co<sub>13-x</sub>(μ<sub>4</sub>-O)<sub>4</sub>(O<sub>2</sub>CPh)<sub>18</sub>] cluster.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12828","12831","10.1039/c9dt02791b","","","0.71073","MoKα","","0.0682","0.0512","","","0.1351","0.1471","","","","","","1.082","","","","has coordinates","224513","2020-10-21","18:00:00",""
"7701151","15.327","0.002","15.327","0.002","33.107","0.007","90","","90","","120","","6735.4","1.9","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C8 H24 Cl12 N4 Pb4 -","- C8 H24 Cl12 N4 Pb4 -","- C72 H216 Cl108 N36 Pb36 -","9","1","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","0.7","synchrotron","","0.0851","0.076","","","0.2414","0.2564","","","","","","1.078","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7703720","19.6406","0.0006","19.6406","0.0006","28.4472","0.0011","90","","90","","120","","9503.4","0.6","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H103 Cl6 Gd Mn6 N6 Na2 O25 -","- C96 H93 Cl6 Gd Mn6 N6 Na2 O25 -","- C288 H279 Cl18 Gd3 Mn18 N18 Na6 O75 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0382","0.0329","","","0.0904","0.0924","","","","","","1.011","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703722","19.5854","0.001","19.5854","0.001","28.5183","0.0018","90","","90","","120","","9473.7","0.9","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H104 Cl6 Mn6 N6 Na2 O27 Tb -","- C96 H90 Cl6 Mn6 N6 Na2 O27 Tb -","- C288 H270 Cl18 Mn18 N18 Na6 O81 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0646","0.0625","","","0.1844","0.1883","","","","","","1.039","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703723","19.9312","0.0003","19.9312","0.0003","28.8052","0.0008","90","","90","","120","","9909.9","0.3","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C96 H99 Br7 Mn6 N6 Na2 O23 Tb -","- C96 H93 Br7 Mn6 N6 Na2 O23 Tb -","- C288 H279 Br21 Mn18 N18 Na6 O69 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0428","0.0363","","","0.0869","0.0895","","","","","","1.008","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703725","19.5945","0.0005","19.5945","0.0005","28.3967","0.0007","90","","90","","120","","9442.1","0.4","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C99 H115 Cl6 Mn6 N6 Na2 O29.5 Tb -","- C99 H90 Cl6 Mn6 N6 Na2 O29.4999 Tb -","- C297 H270 Cl18 Mn18 N18 Na6 O88.4997 Tb3 -","3","0.333333","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0548","0.0477","","","0.1355","0.1394","","","","","","1.112","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7704901","26.065","0.003","26.065","0.003","36.149","0.006","90","","90","","120","","21269","5","296.98","","296.98","","","","","","","","","5","R 3 :H","R 3","146","","","","- C91 H116 Dy2 N4 O14 -","- C91 H116 Dy2 N4 O14 -","- C819 H1044 Dy18 N36 O126 -","9","1","","Ke, Hongshan; Yang, Yongsheng; Wei, Wen; Jiang, Youdong; Zhang, Yi-Quan; Xie, Gang; Chen, Sanping","Synergistic effect of mixed ligands on the anisotropy axis of two dinuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10594","10602","10.1039/d0dt02139c","","","1.54178","CuKα","","0.0728","0.0595","","","0.1585","0.1663","","","","","","1.185","","","","has coordinates,has disorder","257529","2020-10-21","18:00:00",""
"7706423","18.08","0.002","18.08","0.002","20.905","0.003","90","","90","","120","","5918","1.3","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C21 H53 N3 Na O79 Si Tb3 W12 -","- C21 H53.0004 N3 Na O79.0003 Si Tb3 W12 -","- C63 H159.001 N9 Na3 O237.001 Si3 Tb9 W36 -","3","0.333333","","Samaniyan, Maryam; Mirzaei, Masoud; Gomila, Rosa M.; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Mague, Joel T.; Pour, Ali Nakhaei; Frontera, Antonio","Supramolecular network of a framework material supported by the anion-π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1895","1900","10.1039/d0dt03891a","","","0.71073","MoKα","","0.0394","0.0357","","","0.0909","0.092","","","","","","1.098","","","","has coordinates,has disorder","262625","2021-03-05","01:59:58",""
"7706699","14.8018","0.0002","14.8018","0.0002","22.1489","0.0003","90","","90","","120","","4202.54","0.1","100","0.1","100","0.1","","","","","","","","7","R 3 :H","R 3","146","","","","- C53 H47 Br3 Cl4 Cu4 N3 P3 -","- C52.9999 H46.9996 Br3 Cl3.9999 Cu4 N3 P3 -","- C159 H140.999 Br9 Cl11.9997 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0272","0.0259","","","0.0624","0.0631","","","","","","1.055","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706704","14.7989","0.0002","14.7989","0.0002","22.1361","0.0003","90","","90","","120","","4198.47","0.1","100","0.1","100","0.1","","","","","","","","7","R 3 :H","R 3","146","","","","- C53 H47 Br3 Cl4 Cu4 N3 P3 -","- C52.9999 H46.9996 Br3 Cl3.9999 Cu4 N3 P3 -","- C159 H140.999 Br9 Cl11.9997 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0309","0.0283","","","0.0653","0.0679","","","","","","1.076","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706705","14.9436","0.0008","14.9436","0.0008","22.1101","0.0011","90","","90","","120","","4275.9","0.4","203","2","203.15","","","","","","","","","6","R 3 :H","R 3","146","","","","- C53 H47 Br7 Cu4 N3 P3 -","- C52.9999 H46.9996 Br6.9996 Cu4 N3 P3 -","- C159 H140.999 Br20.9988 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","0.71073","MoKα","","0.039","0.0303","","","0.0637","0.0655","","","","","","0.927","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706706","14.9752","0.0002","14.9752","0.0002","22.1086","0.0002","90","","90","","120","","4293.75","0.09","100","0.1","100","0.1","","","","","","","","6","R 3 :H","R 3","146","","","","- C53 H47 Br7 Cu4 N3 P3 -","- C52.9999 H46.9996 Br6.9996 Cu4 N3 P3 -","- C159 H140.999 Br20.9988 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0363","0.0347","","","0.0841","0.0851","","","","","","1.045","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706956","26.418","0.003","26.418","0.003","47.872","0.005","90","","90","","120","","28934","6","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C1098 H855 Ag78 Br21 Cu12 F18 P48 -","- C1098 H855 Ag78 Br21 Cu12 F18 P48 -","- C1098 H855 Ag78 Br21 Cu12 F18 P48 -","1","0.111111","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.1002","0.0689","","","0.1842","0.2069","","","","","","1.119","","","","has coordinates","264898","2021-05-05","08:37:59",""
"7706959","26.339","0.004","26.339","","47.891","0.008","90","","90","","120","","28773","6","173","2","173","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C378 H309 Ag26 B3 Cl7 Cu4 F12 P15 -","- C378 H309 Ag26 B3.004 Cl7 Cu4 F12.016 P15 -","- C1134 H927 Ag78 B9.012 Cl21 Cu12 F36.048 P45 -","3","0.333333","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0828","0.0548","","","0.1308","0.1459","","","","","","1.07","","","","has coordinates,has disorder","264898","2021-05-05","08:38:21",""
"7706960","26.548","0.013","26.548","","48.43","0.02","90","","90","","120","","29560","19","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C383 H319 Ag26 Br17 Cu4 F18 P18 -","- C382.999 H318.998 Ag26 Br16.9984 Cu4 F18.006 P18.001 -","- C1149 H956.995 Ag78 Br50.9952 Cu12 F54.018 P54.003 -","3","0.333333","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0742","0.0592","","","0.1715","0.1814","","","","","","1.005","","","","has coordinates,has disorder","264898","2021-05-05","08:38:31",""
"7707045","10.3859","0.0008","10.3859","0.0008","24.7964","0.0019","90","","90","","120","","2316.4","0.3","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C30 H18 Cl N9 S3 Zn2 -","- C30 H18 Cl N9 S3 Zn2 -","- C90 H54 Cl3 N27 S9 Zn6 -","3","0.333333","","Kobayashi, Daiya; Hamakawa, Akira; Yamaguchi, Yuki; Takahashi, Toshiaki; Yanagita, Mitsuhiro; Arai, Shigebumi; Minoura, Mao","Broadened bioactivity and enhanced durability of two structurally distinct metal-organic frameworks containing Zn<sup>2+</sup> ions and thiabendazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7176","7180","10.1039/d1dt00733e","","","0.4118","synchrotron","","0.0143","0.0143","","","0.0369","0.0369","","","","","","1.087","","","","has coordinates","266099","2021-06-05","18:59:58",""
"7708970","13.8148","0.0009","13.8148","0.0009","9.9198","0.0007","90","","90","","120","","1639.54","0.19","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H24 Co K O10 -","- C16 H24 Co K O10 -","- C48 H72 Co3 K3 O30 -","3","0.333333","","Schneider, Christian; Guggolz, Lukas; Werncke, C. Gunnar","High-spin carbonyl complexes of iron(I) and cobalt(I).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","179","184","10.1039/d1dt03924e","","x-ray","0.71073","MoKα","","0.0404","0.0357","","","0.0779","0.0798","","","","","","1.068","","","","has coordinates","272652","2022-02-04","19:32:04",""
"7709689","8.9224","0.0002","8.9224","0.0002","22.5833","0.0004","90","","90","","120","","1556.97","0.06","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- H10 N16 O10 Pb4 -","- H10 N16 O10 Pb4 -","- H30 N48 O30 Pb12 -","3","0.333333","","Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−","Dalton Transactions","2022","","","","","10.1039/D1DT04392G","","","0.71073","MoKα","","0.0468","0.0452","","","0.1125","0.1137","","","","","","1.124","","","","has coordinates","273541","2022-03-08","23:51:32",""
"7709811","7.7468","0.00001","7.7468","0.00001","46.3657","0.0005","90","","90","","120","","2409.75","0.03","292.6","0.3","292.6","0.3","","","","","","","","4","R 3 :H","R 3","146","","","","- B26.33 O46 Sr2 Tb3 -","- B26.3334 O46 Sr2 Tb3 -","- B79.0002 O138 Sr6 Tb9 -","3","0.333333","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth borates Sr2Tb3B27-δO46 and Ba2Eu3B27-δO46 (δ = 2/3): Syntheses, crystal structures, and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D1DT04257B","","x-ray","0.71073","MoKα","","0.05","0.0474","","","0.1119","0.1142","","","","","","1.081","","","","has coordinates","273942","2022-03-23","23:54:40",""
"7709812","7.7964","0.0001","7.7964","0.0001","46.5086","0.0006","90","","90","","120","","2448.23","0.05","290.29","0.15","290.29","0.15","","","","","","","","4","R 3 :H","R 3","146","","","","- B26.33 Ba2 Eu3 O46 -","- B26.3334 Ba2 Eu3 O46 -","- B79.0002 Ba6 Eu9 O138 -","3","0.333333","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth borates Sr2Tb3B27-δO46 and Ba2Eu3B27-δO46 (δ = 2/3): Syntheses, crystal structures, and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D1DT04257B","","x-ray","0.71073","MoKα","","0.0409","0.0405","","","0.1019","0.1021","","","","","","1.067","","","","has coordinates","273942","2022-03-23","23:54:41",""
"7710433","4.996","0.003","4.996","0.003","14.335","0.012","90","","90","","120","","309.9","0.4","273","2","273","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ge Li2 O6 Te -","- Ge Li2 O6 Te -","- Ge3 Li6 O18 Te3 -","3","0.333333","","Wang, Dan; Zhang, Yunxi; Liu, Qian; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Band gap modulation and nonlinear optical properties of quaternary tellurates Li<sub>2</sub>GeTeO<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01320g","","x-ray","0.71073","MoKα","","0.0424","0.0323","","","0.0575","0.0598","","","","","","1.085","","","","has coordinates","275892","2022-06-07","23:08:58",""
"7710525","25.4179","0.0009","25.4179","0.0009","7.2227","0.0003","90","","90","","120","","4041.2","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C17 H22 Br N3 -","- C17 H22 Br N3 -","- C153 H198 Br9 N27 -","9","1","","Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10973","10982","10.1039/d2dt01379g","","","0.71073","MoKα","","0.0615","0.0418","","","0.0815","0.0904","","","","","","1.021","","","","has coordinates","277108","2022-08-06","11:47:54",""
"7710526","25.435","0.002","25.435","0.002","7.2225","0.0004","90","","90","","120","","4046.5","0.5","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C17 H22 Br N3 -","- C17 H22 Br N3 -","- C153 H198 Br9 N27 -","9","1","","Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10973","10982","10.1039/d2dt01379g","","","0.71073","MoKα","","0.0459","0.034","","","0.0685","0.0737","","","","","","1.031","","","","has coordinates","277108","2022-08-06","11:47:54",""
"7711818","20.222","0.0005","20.222","0.0005","59.983","0.002","90","","90","","120","","21242.6","1","100.01","0.1","100.01","0.1","","","","","","","","7","R 3 :H","R 3","146","","","","- C276 H272 Ag11.55 Cu7.45 F18 P6 Sb3 -","- C275.999 H271.998 Ag11.531 Cu7.469 F17.9992 P6 Sb3 -","- C827.996 H815.995 Ag34.593 Cu22.407 F53.9976 P18 Sb9 -","3","0.333333","","Gao, Yan-Li; Sun, Xueli; Tang, Xiongkai; Xie, Zhenlang; Tian, Guolong; Nan, Zi-Ang; Yang, Huayan; Shen, Hui","An alkynyl-protected Ag<sub>13-<i>x</i></sub>Cu<sub>6+<i>x</i></sub> nanocluster for catalytic hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","52","57","10.1039/d2dt03295c","","x-ray","1.54184","CuKα","","0.1271","0.0686","","","0.1703","0.2075","","","","","","1","","","","has coordinates,has disorder","283226","2023-05-05","01:37:31",""
"7712652","13.7889","0.0006","13.7889","0.0006","9.3461","0.0007","90","","90","","120","","1538.94","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","CsHg4Ga5Se12","","","- Ga5 Hg4 Rb S12 -","- Ga5.0001 Hg3.9999 Rb S12 -","- Ga15.0003 Hg11.9997 Rb3 S36 -","3","0.333333","","Lou, Xiao-Yu; Zhou, Yu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Open Honeycomb Frameworks of Sulphides AHg4Ga5S12 (A = Rb, Cs) Exhibiting Infrared Nonlinear Optical Properties","Dalton Transactions","2023","","","","","10.1039/D2DT03683E","","","0.71073","MoKα","","0.0319","0.0313","","","0.0594","0.0596","","","","","","1.032","","","","has coordinates","281941","2023-03-18","23:48:18",""
"7712653","13.8428","0.0005","13.8428","0.0005","9.3913","0.0006","90","","90","","120","","1558.49","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","CsHg4Ga5S12","","","- Cs Ga5 Hg4 S12 -","- Cs Ga4.9998 Hg3.9996 S12 -","- Cs3 Ga14.9994 Hg11.9988 S36 -","3","0.333333","","Lou, Xiao-Yu; Zhou, Yu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Open Honeycomb Frameworks of Sulphides AHg4Ga5S12 (A = Rb, Cs) Exhibiting Infrared Nonlinear Optical Properties","Dalton Transactions","2023","","","","","10.1039/D2DT03683E","","","0.71073","MoKα","","0.0301","0.0288","","","0.0643","0.0647","","","","","","1.004","","","","has coordinates","281941","2023-03-18","23:48:19",""
"8101467","10.681","0.002","10.681","","12.056","0.003","90","","90","","120","","1191.1","0.5","293","","293","","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H25 Cl3 Cu N4 -","- C12 H25 Cl3 Cu N4 -","- C36 H75 Cl9 Cu3 N12 -","3","0.333333","","Karan, N. K.; Sen, S.; Saha, M. K.; Mitra, S.; Tiekink, E. R. T.","Crystal structure of [Cu(Hdabco)(dabco)Cl3] (dabco = 1,4-diazabicyclo [2.2.2]octane), C12H25Cl3CuN4","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","203","204","","","","","","","","0.0296","","","0.0264","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101708","26.759","0.005","26.759","0.005","7.431","0.002","90","","90","","120","","4608.1","1.7","300","2","300","2","","","","","","","synthetic starting from a natural product","5","R 3 :H","R 3","146","quinineborane ethanol hemisolvate","(1S,3R,4S,8S,9R)-1N-boranyl-6'-methoxy-cinchonan-9-ol ethanol hemisolvate","","- C21 H30 B N2 O2.5 -","- C21 H30 B N2 O2.5 -","- C189 H270 B9 N18 O22.5 -","9","1","","R. Wartchow; S. Roeper; H. M. R. Hoffmann","Crystal structures of ethanol hemisolvates of (1S,3R,4S,8S,9R)-1N-boranyl-6'- methoxy-cinchonan-9-ol, C~20~H~27~BN~2~O~2~ · ½C~2~H~5~OH, and (1S,3S,4S,8S,9R)-1N-boranyl-10,11-didehydro-6'-methoxy-cinchonan-9-ol, C~20~H~25~BN~2~O~2~ · ½C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","89","92","","","","0.71073","MoKα","","0.0656","0.0412","","0.0979","","0.0942","","","1.162","","","1.419","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101709","26.465","0.006","26.465","0.006","7.375","0.002","90","","90","","120","","4473.4","1.9","300","2","300","2","","","","","","","synthetic starting from a natural product","5","R 3 :H","R 3","146","10,11-Didehydroquinineborane ethanol hemisolvate","(1S,3S,4S,8S,9R)-1N-Boranyl-10,11-didehydro-6'-methoxy-cinchonan-9-ol ethanol hemisolvate","","- C21 H28 B N2 O2.5 -","- C21 H28 B N2 O2.5 -","- C189 H252 B9 N18 O22.5 -","9","1","","R. Wartchow; S. Roeper; H. M. R. Hoffmann","Crystal structures of ethanol hemisolvates of (1S,3R,4S,8S,9R)-1N- boranyl-6'-methoxy-cinchonan-9-ol, C~20~H~27~BN~2~O~2~ · ½C~2~H~5~OH, and (1S,3S,4S,8S,9R)-1N-boranyl-10,11-didehydro-6'-methoxy- cinchonan-9-ol, C~20~H~25~BN~2~O~2~ · ½C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","89","92","","","","0.71073","MoKα","","0.0871","0.0391","","0.0654","","0.062","","","1.088","","","1.475","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102982","12.4567","0.0011","12.4567","0.0011","17.308","0.0017","90","","90","","120","","2325.9","0.4","293","2","293","2","","","","","","","","3","R 3 :H","R 3","146","","lithium hexachlorotungstate(V)","","- Cl6 Li W -","- Cl6 Li W -","- Cl72 Li12 W12 -","12","1.33333","","Martina Weisser; Sonja Tragl; Hans-Jürgen Meyer","Crystal structure of lithium hexachlorotungstate(V), LiWCl6","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","5","","","","","0.71073","MoKα","","0.043","0.0386","","","0.1068","0.1092","","","","","","1.217","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103610","12.511","","12.511","","5.594","","90","","90","","120","","758.293","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Li3 (P3 O9) (H2 O)3","","- H6 Li3 O12 P3 -","- Li3 O12 P3 -","- Li9 O36 P9 -","3","0.333333","","Masse, R.; Grenier, J.C.; Bassi, G.; Tordjman, I.","Structure cristalline du trimetaphosphate de lithium hydrate, Li3 P3 O9 (H2 O)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1973","137","","17","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","147037","2020-10-21","18:00:00",""
"8103673","14.025","","14.025","","9.61","","90","","90","","120","","1637.04","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Cu7 As6 Se13","","- As6 Cu7 Se13 -","- As6 Cu7 Se13 -","- As18 Cu21 Se39 -","3","0.333333","","Takeuchi, Y.; Horiuchi, H.","The application of the partial Patterson method and the thirteenfold hexagonal superstructure of Cu7 As6 Se13","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","93","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","150039","2020-10-21","18:00:00",""
"8104095","5.9239","","5.9239","","37.096","","90","","90","","120","","1127.39","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Hg6 (Hg O2) (Se O3)2 (Se O4) (H2 O)","","- H2 Hg7 O13 Se3 -","- Hg7.001 O13 Se3 -","- Hg21.003 O39 Se9 -","3","0.333333","","Weil, M.","The crystal structures of Hg7 Se3 O13 H2 and Hg8 Se4 O17 H2 - two mixed-valent mercury oxoselenium coumpound with a multifarious crystal chemistry","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","621","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","164103","2020-10-21","18:00:00",""
"8104187","14.38","","14.38","","9.758","","90","","90","","120","","1747.47","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Cs Hg4 Ga5 Se12","","- Cs Ga5 Hg4 Se12 -","- Cs Ga5.001 Hg3.999 Se12 -","- Cs3 Ga15.003 Hg11.997 Se36 -","3","0.333333","","Krauss, G.; Keller, E.; Kraemer, V.","Crystal structure of cesium tetramercury pentagallium dodecaselenide, Cs Hg4 Ga5 Se12","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","188","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104244","13.6427","","13.6427","","9.0965","","90","","90","","120","","1466.24","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Li Ga (Si O4)","","- Ga Li O4 Si -","- Ga Li O4 Si -","- Ga18 Li18 O72 Si18 -","18","2","","Fleet, M.E.","Crystal structures of alpha-Li Ga Si O4, alpha-Li Al Ge O4, and alpha-Li Ga Ge O4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104923","22.3832","0.0011","22.3832","0.0011","6.4522","0.0003","90","","90","","120","","2799.5","0.2","200","2","200","2","","","","","","","","4","R 3 :H","R 3","146","aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)","aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)","","- C45 H35 La O7 -","- C45 H34.9998 La O7 -","- C135 H104.999 La3 O21 -","3","0.333333","","Hickson, Matthew; Sephton, Abigail; Dugmore, Travis; Hosten, Eric C.; Betz, Richard","The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2 O,O′)-lanthanum(III), C45H35LaO7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","205","207","10.1515/ncrs-2020-0504","","","0.71073","MoKα","","0.0193","0.0192","","","0.0462","0.0462","","","","","","1.037","","","","has coordinates","274077","2022-03-29","08:28:47",""
"8105216","27.5427","0.0011","27.5427","0.0011","7.733","0.0004","90","","90","","120","","5080.3","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C63 H63 La O27 -","- C63 H63 La O27 -","- C189 H189 La3 O81 -","3","0.333333","","Han, Yingying; Feng, Sisi; Lu, Liping","Crystal structure of catena-poly[{μ2-3-carboxy-2,3-bis((4-methylbenzoyl)oxy)propanoato-κ2 O:O′}tris(methanol-κ1 O)lanthanum(III)], C63H63LaO27","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","323","325","10.1515/ncrs-2022-0022","","","0.71","synchrotron","","0.0368","0.0368","","","0.0959","0.0959","","","","","","1.068","","","","has coordinates","275329","2022-05-11","08:14:09",""
"9000019","3.16","","3.16","","21.25","","90","","90","","120","","183.765","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","Cronstedtite","- Fe1.4 H1.667 O4.001 Si0.5 -","- Fe1.4 H1.667 O4.001 Si0.5 -","- Fe4.2 H5.001 O12.003 Si1.5 -","3","0.333333","","Hendricks, S. B.","Random structures of layer minerals as illustrated by cronstedtite (2FeO.Fe2O3.SiO2.2H2O). Possible iron content of kaolin","American Mineralogist","1939","24","","529","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000057","7.12","","7.12","","84.1","","90","","90","","120","","3692.21","","","","","","","","","","","","","5","R 3 :H","R 3","146","","","Parisite-(Ce)","- C3 Ca Ce2 F2 O9 -","- C Ca Ce2 F2 O3 -","- C18 Ca18 Ce36 F36 O54 -","18","2","","Donnay, G.; Donnay, J. D. H.","The crystallography of bastnaesite, parasite, roentgenite, and synchisite","American Mineralogist","1953","38","","932","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000058","7.13","","7.13","","69.4","","90","","90","","120","","3055.41","","","","","","","","","","","","","5","R 3 :H","R 3","146","","","Rontgenite-(Ce)","- C5 Ca2 Ce3 F3 O15 -","- C Ca2 Ce3 F3 O3 -","- C9 Ca18 Ce27 F27 O27 -","9","1","","Donnay, G.; Donnay, J. D. H.","The crystallography of bastnaesite, parasite, roentgenite, and synchisite","American Mineralogist","1953","38","","932","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000599","8.275","","8.275","","36.6","","90","","90","","120","","2170.44","","","","","","","","","","","","","6","R 3 :H","R 3","146","","","Hematolite","- Al4.42 As3 Fe0.42 H23 Mn10.16 O34 -","- Al4.42 As3 Fe0.42 H23 Mn10.16 O34 -","- Al13.26 As9 Fe1.26 H69 Mn30.48 O102 -","3","0.333333","","Moore, P. B.; Araki, T.","Hematolite: A complex dense-packed sheet structure","American Mineralogist","1978","63","","150","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000836","8.233","","8.233","","37.499","","90","","90","","120","","2201.24","","","","","","","","","","","","","8","R 3 :H","R 3","146","","","Dixenite","- As6.3 Cu0.843 Fe H6 Mg0.1 Mn12.9 O33 Si1.7 -","- As6.3 Cu0.843 Fe H6 Mg0.1 Mn12.9 O33 Si1.7 -","- As18.9 Cu2.529 Fe3 H18 Mg0.3 Mn38.7 O99 Si5.1 -","3","0.333333","","Araki, T.; Moore, P. B.","Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters in an oxide matrix","American Mineralogist","1981","66","","1263","1273","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9002541","13.532","","13.532","","9.044","","90","","90","","120","","1434.22","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","2","","Daniels, P.; Fyfe, C. A.","Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)","American Mineralogist","2001","86","","279","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9004539","14.1241","","14.1241","","22.4073","","90","","90","","120","","3871.17","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs3 H19 O47 U12 -","- Cs3 H19 O47 U12 -","- Cs9 H57 O141 U36 -","3","0.333333","","Hill, F. C.; Burns, P. C.","The structure of a synthetic Cs uranyl oxide hydrate and its relationship to compreignacite","The Canadian Mineralogist","1999","37","","1283","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9007436","8.88","","8.88","","9.1","","90","","90","","120","","621.438","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- H13 Mg O9 P -","- H13 Mg O9 P -","- H39 Mg3 O27 P3 -","3","0.333333","","Corbridge, D. E. C.","The crystal structure of magnesium phosphite hexahydrate, MgHPO3*6H2O","Acta Crystallographica","1956","9","","991","994","10.1107/S0365110X56002886","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9008126","13.44","","13.44","","9.17","","90","","90","","120","","1434.49","","","","","","","","","","","","Lengenbach, Binnatal, Switzerland","4","R 3 :H","R 3","146","","","Nowackiite","- As4 Cu6 S12 Zn3 -","- As4 Cu6.0003 S12 Zn2.9997 -","- As12 Cu18.0009 S36 Zn8.9991 -","3","0.333333","","Marumo, F.","The crystal structure of nowackiite, Cu6Zn3As4S12","Zeitschrift fur Kristallographie","1967","124","","352","368","10.1524/zkri.1967.124.4-5.352","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009544","13.73","","13.73","","9.329","","90","","90","","120","","1523.02","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","Aktashite","- As4 Cu6 Hg3 S12 -","- As4 Cu6 Hg3 S12 -","- As12 Cu18 Hg9 S36 -","3","0.333333","","Kaplunik, L. N.; Pobedimskaya, E. A.; Belov, N. V.","Kristallicheskaya struktura aktashimita Cu6Hg3As4S12","Doklady Akademii Nauk SSSR","1980","251","","96","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9010548","14.2084","","14.2084","","29.959","","90","","90","","120","","5237.79","","","","","","","","","","","","Mont Saint-Hilaire, Rouville County, Quebec, Canada","16","R 3 :H","R 3","146","","","Oneillite","- Ca1.77 Ce1.08 Cl0.721 Fe1.425 H1.269 K0.195 La0.63 Mn3.72 Na13.59 Nb0.93 Nd0.33 O76.769 Pr0.09 Si25 Y0.24 Zr3.18 -","- Ca1.77 Ce1.08 Cl0.721 Fe1.425 K0.195 La0.63 Mn3.72 Na13.59 Nb0.93 Nd0.33 O76.769 Pr0.09 Si25 Y0.24 Zr3.18 -","- Ca5.31 Ce3.24 Cl2.163 Fe4.275 K0.585 La1.89 Mn11.16 Na40.77 Nb2.79 Nd0.99 O230.307 Pr0.27 Si75 Y0.72 Zr9.54 -","3","0.333333","","Johnsen, O.; Grice, J. D.","The crystal chemistry of the eudialyte group Sample: #5","The Canadian Mineralogist","1999","37","","865","891","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9011851","12.2","","12.2","","18.17","","90","","90","","120","","2342.1","","","","","","","","","","","","Synthetic","2","R 3 :H","R 3","146","","","Carlinite","- S Tl2 -","- S Tl2 -","- S27 Tl54 -","27","3","","Man, L. I.","Determination of the structure of Tl2S by the electron diffraction method","Soviet Physics Crystallography","1970","15","","399","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012277","12.15","","12.15","","18.19","","90","","90","","120","","2325.5","","","","","","","","","","","","Synthetic","2","R 3 :H","R 3","146","","","Carlinite","- S Tl2 -","- S Tl2 -","- S27 Tl54 -","27","3","","Giester, G.; Lengauer, C. L.; Tillmanns, E.; Zemann, J.","Tl2S: Re-determination of crystal structure and stereochemical discussion","Journal of Solid State Chemistry","2002","168","","322","330","10.1006/jssc.2002.9711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012278","12.15","","12.15","","18.19","","90","","90","","120","","2325.5","","","","","","","","","","","","","2","R 3 :H","R 3","146","","","Carlinite","- S Tl2 -","- S Tl2 -","- S27 Tl54 -","27","3","","Giester, G.; Lengauer, C. L.; Tillmanns, E.; Zemann, J.","Tl2S: Re-determination of crystal structure and stereochemical discussion Sample: hypothetical idealized structure","Journal of Solid State Chemistry","2002","168","","322","330","10.1006/jssc.2002.9711","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012638","14.182","","14.182","","30.37","","90","","90","","120","","5289.94","","","","","","","","","","","","Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia","18","R 3 :H","R 3","146","","","Kentbrooksite","- Ca2.1 Ce0.579 Cl0.3 F0.5 Fe0.15 H3.816 Hf0.051 K0.099 La0.342 Mn3.6 Na16.002 Nb0.4 Nd0.228 O77.11 Si25.6 Sr0.45 Ti0.099 Zr3.3 -","- Ca2.1 Ce0.579 Cl0.3 F0.5 Fe0.15 H6.86 Hf0.051 K0.099 La0.342 Mn3.6 Na16.002 Nb0.4 Nd0.228 O77.11 Si25.6 Sr0.45 Ti0.099 Zr3.3 -","- Ca6.3 Ce1.737 Cl0.9 F1.5 Fe0.45 H20.58 Hf0.153 K0.297 La1.026 Mn10.8 Na48.006 Nb1.2 Nd0.684 O231.33 Si76.8 Sr1.35 Ti0.297 Zr9.9 -","3","0.333333","","Rastsvetaeva, R. K.; Khomyakov, A. P.; Nekrasov, Y. V.","Crystal structure of a novel analog of eudialyte with R3 symmetry","Crystallography Reports","1999","44","","765","769","","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9012639","14.182","","14.182","","30.37","","90","","90","","120","","5289.94","","","","","","","","","","","","Alluaiv mountain, Lovozero alakaline massif, Kola Peninsula, Russia","19","R 3 :H","R 3","146","","","","- Ca2.1 Ce0.54 Cl0.17 F0.28 Fe0.15 H3.78 Hf0.051 K0.099 La0.312 Mn3.6 Na16.002 Nb0.4 Nd0.198 O77.11 Si25.6 Sr0.45 Ti0.099 Y0.099 Zr3.3 -","- Ca2.1 Ce0.54 Cl0.17 F0.28 Fe0.15 H6.86 Hf0.051 K0.099 La0.312 Mn3.6 Na16.002 Nb0.4 Nd0.198 O77.11 Si25.6 Sr0.45 Ti0.099 Y0.099 Zr3.3 -","- Ca6.3 Ce1.62 Cl0.51 F0.84 Fe0.45 H20.58 Hf0.153 K0.297 La0.936 Mn10.8 Na48.006 Nb1.2 Nd0.594 O231.33 Si76.8 Sr1.35 Ti0.297 Y0.297 Zr9.9 -","3","0.333333","","Rastsvetaeva, R. K.; Khomyakov, A. P.; Nekrasov, Y. V.","Crystal structure of a novel analog of eudialyte with R3 symmetry Locality: Alluaiv mountain, Lovozero alakaline massif, Kola Peninsula, Russia","Crystallography Reports","1999","44","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9012645","14.239","","14.239","","60.733","","90","","90","","120","","10663.9","","","","","","","","","","","","Eveslogchorr mountain","14","R 3 :H","R 3","146","","","Labyrinthite","- Ca12 Ce0.102 Cl2.68 F0.68 Fe2.19 H11.56 K1.452 Mn0.81 Na34.53 O151.54 Si51.2 Sr0.735 Ti0.52 Zr6 -","- Ca12 Ce0.102 Cl2.68 F0.68 Fe2.19 H10.38 K1.452 Mn0.81 Na34.53 O151.54 Si51.2 Sr0.735 Ti0.52 Zr6 -","- Ca36 Ce0.306 Cl8.04 F2.04 Fe6.57 H31.14 K4.356 Mn2.43 Na103.59 O454.62 Si153.6 Sr2.205 Ti1.56 Zr18 -","3","0.333333","","Rastsvetaeva, R. K.; Khomyakov, A. P.","Modular structure of a sodium-rich analogue of eudialyte with the doubled c-parameter and the R3 symmetry","Crystallography Reports","2001","46","","752","757","10.1134/1.1405861","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43",""
"9012647","10.18","","10.18","","13.13","","90","","90","","120","","1178.4","","","","","","","","","","","","Kola Peninsula, Russia","11","R 3 :H","R 3","146","","","Lovozerite","- Ca0.35 Fe0.14 H10.8 Hf0.03 K0.09 Mn0.08 Na2.39 O18.9 Si6 Ti0.03 Zr0.8 -","- Ca0.35 Fe0.14 H6.6 Hf0.03 K0.09 Mn0.08 Na2.39 O18.9 Si6 Ti0.03 Zr0.8 -","- Ca1.05 Fe0.42 H19.8 Hf0.09 K0.27 Mn0.24 Na7.17 O56.7 Si18 Ti0.09 Zr2.4 -","3","0.333333","","Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.","Refined crystal structure of lovozerite Na2CaZr[Si6O12(OH,O)6]*H2O","Crystallography Reports","2001","46","","937","941","10.1134/1.1420822","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012750","14.229","","14.229","","30.019","","90","","90","","120","","5263.51","","","","","","","","","","","","","17","R 3 :H","R 3","146","","","Raslakite","- Al0.2 Ca3.708 Ce0.3 Cl Fe2.199 H3.537 Hf0.099 K0.201 Mg0.15 Mn0.9 Na15.591 Nb0.2 O76.6 Si25.3 Sr0.201 Ti0.15 Zr3.801 -","- Al0.2 Ca3.708 Ce0.3 Cl Fe2.199 H2.87 Hf0.099 K0.201 Mg0.15 Mn0.9 Na15.591 Nb0.2 O76.6 Si25.3 Sr0.201 Ti0.15 Zr3.801 -","- Al0.6 Ca11.124 Ce0.9 Cl3 Fe6.597 H8.61 Hf0.297 K0.603 Mg0.45 Mn2.7 Na46.773 Nb0.6 O229.8 Si75.9 Sr0.603 Ti0.45 Zr11.403 -","3","0.333333","","Ekimenkova, I. A.; Rastsvetaeva, R. K.; Chukanov, N. V.","Ordering of calcium and iron in a mineral of the eudialyte group with the symmetry R3 Locality: Lovozero massif, Kola Peninsula, Russia","Doklady Chemistry","2000","374","","195","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:44",""
"9013835","10.477","","10.477","","15.377","","90","","90","","120","","1461.76","","","","","","","","","","synthesized by cation exchange at 150 C","","Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia","6","R 3 :H","R 3","146","","","Hilairite-(Rb)","- H6 Na0.39 O18.69 Rb3.61 Si6 Zr2 -","- H1.38 Na0.39 O18.69 Rb3.61 Si6 Zr2 -","- H4.14 Na1.17 O56.07 Rb10.83 Si18 Zr6 -","3","0.333333","","Zubkova, N. V.; Kolitsch, U.; Pekov, I. V.; Turchkova, A. G.; Vigasina, M. F.; Pushcharovsky, D. Y.; Tillmanns, E.","Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia Note: sample was synthesized by cation exchange at 150 C","European Journal of Mineralogy","2009","21","","495","506","10.1127/0935-1221/2009/0021-1912","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013836","20.964","","20.964","","7.836","","90","","90","","120","","2982.45","","","","","","","","","","synthesized by cation exchange at 150 C","","Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia","5","R 3 :H","R 3","146","","","Hilairite-(Sr)","- H6 O10.65 Si3 Sr1.015 Zr -","- H3.3 O10.65 Si3 Sr1.01475 Zr -","- H39.6 O127.8 Si36 Sr12.177 Zr12 -","12","1.33333","","Zubkova, N. V.; Kolitsch, U.; Pekov, I. V.; Turchkova, A. G.; Vigasina, M. F.; Pushcharovsky, D. Y.; Tillmanns, E.","Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia Note: sample was synthesized by cation exchange at 150 C","European Journal of Mineralogy","2009","21","","495","506","10.1127/0935-1221/2009/0021-1912","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9013837","20.976","","20.976","","7.857","","90","","90","","120","","2993.87","","","","","","","","","","synthesized by cation exchange at 150 C","","Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia","5","R 3 :H","R 3","146","","","Hilairite-(Ba)","- Ba0.958 H4.845 O12 Si3 Zr -","- Ba0.95775 H6 O12 Si3 Zr -","- Ba11.493 H72 O144 Si36 Zr12 -","12","1.33333","","Zubkova, N. V.; Kolitsch, U.; Pekov, I. V.; Turchkova, A. G.; Vigasina, M. F.; Pushcharovsky, D. Y.; Tillmanns, E.","Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia Note: sample was synthesized by cation exchange at 150 C","European Journal of Mineralogy","2009","21","","495","506","10.1127/0935-1221/2009/0021-1912","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9013838","10.456","","10.456","","7.995","","90","","90","","120","","756.973","","","","","","","","","","synthesized by cation exchange at 150 C","","Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia","5","R 3 :H","R 3","146","","","Hilairite-(Ca)","- Ca0.826 H6 O12 Si3 Zr -","- Ca0.826 H6 O12 Si3 Zr -","- Ca2.478 H18 O36 Si9 Zr3 -","3","0.333333","","Zubkova, N. V.; Kolitsch, U.; Pekov, I. V.; Turchkova, A. G.; Vigasina, M. F.; Pushcharovsky, D. Y.; Tillmanns, E.","Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia Note: sample was synthesized by cation exchange at 150 C","European Journal of Mineralogy","2009","21","","495","506","10.1127/0935-1221/2009/0021-1912","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013839","10.477","","10.477","","7.994","","90","","90","","120","","759.921","","","","","","","","","","synthesized by cation exchange at 150 C","","Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia","6","R 3 :H","R 3","146","","","Hilairite-(Pb)","- H6 Na0.179 O11.85 Pb0.821 Si3 Zr -","- H5.7 Na0.179 O11.85 Pb0.821 Si3 Zr -","- H17.1 Na0.537 O35.55 Pb2.463 Si9 Zr3 -","3","0.333333","","Zubkova, N. V.; Kolitsch, U.; Pekov, I. V.; Turchkova, A. G.; Vigasina, M. F.; Pushcharovsky, D. Y.; Tillmanns, E.","Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite Locality: Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia Note: sample was synthesized by cation exchange at 150 C","European Journal of Mineralogy","2009","21","","495","506","10.1127/0935-1221/2009/0021-1912","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9014143","13.73","","13.73","","9.329","","90","","90","","120","","1523.02","","","","","","","","","","","","not given","4","R 3 :H","R 3","146","","","Aktashite","- As4 Cu6 Hg3 S12 -","- As12 Cu18 Hg9 S36 -","- As12 Cu18 Hg9 S36 -","","","","Nowacki, W.","Isotypy in aktashite Cu6Hg3As4S12 and nowackiite Cu6Zn3As4S12","Soviet Physics Crystallography","1982","27","","26","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014626","13.75","","13.75","","9.36","","90","","90","","120","","1532.54","","","","","","","","","","","","Aktash deposit, Gorny Altai, Russia","4","R 3 :H","R 3","146","","","Aktashite","- As4 Cu6 Hg3 S12 -","- As12 Cu18 Hg9 S36 -","- As12 Cu18 Hg9 S36 -","","","","Vasil'ev, V. I.; Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Naumov, D. Y.; Kurat'eva, N. V.","Aktashite Cu6Hg3As4S12 from the Aktash Deposit, Altai, Russia: Refinement and crystal chemical analysis of the structure","Geology of Ore Deposits","2010","52","","656","661","10.1134/S1075701510070184","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015409","18.468","","18.468","","11.601","","90","","90","","120","","3426.62","","","","","","","","","","","","Nidym River, East Siberia, Russia","5","R 3 :H","R 3","146","","","Analcime","- Al8 H1.12 Na7.69 O48.56 Si16 -","- Al7.99992 H1.12 Na7.69 O48.56 Si16.0001 -","- Al23.9998 H3.36 Na23.07 O145.68 Si48.0002 -","3","0.333333","","Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V.","The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa","Mineralogical Magazine","2012","76","","129","142","10.1180/minmag.2012.076.1.129","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9015509","9.1202","","9.1202","","102.145","","90","","90","","120","","7357.94","","","","","","","","","","","","Alai ridge, Tien-Shan Mountains, northern Tajikistan","20","R 3 :H","R 3","146","","","Byzantievite","- B9.002 Ba4.98 Ca9.01 Ce2.51 Dy0.28 F2 Fe0.42 Gd0.27 H44.1 La1.12 Nb5.28 Nd0.84 O122.69 P3.12 Pr0.27 Si4.66 Sm3.18 Sr0.96 Ti11.92 Y3.5 -","- B9.002 Ba4.98 Ca9.01 Ce2.51 Dy0.28 F2 Fe0.42 Gd0.27 H44.1 La1.12 Nb5.28 Nd0.84 O122.69 P3.12 Pr0.27 Si4.66 Sm3.18 Sr0.96 Ti11.92 Y3.5 -","- B27.006 Ba14.94 Ca27.03 Ce7.53 Dy0.84 F6 Fe1.26 Gd0.81 H132.3 La3.36 Nb15.84 Nd2.52 O368.07 P9.36 Pr0.81 Si13.98 Sm9.54 Sr2.88 Ti35.76 Y10.5 -","3","0.333333","","Sokolova, E.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A.","Byzantievite, Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O21[(OH),F]43(H2O)1.5: the crystal structure and crystal chemistry of the only known mineral with the oxyanions (BO3), (SiO4) and (PO4)","Mineralogical Magazine","2010","74","","285","308","10.1180/minmag.2010.074.2.285","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015571","5.31","","5.31","","42.1","","90","","90","","120","","1028.02","","","","","","","","","","","","Saranovskaye, USSR","5","R 3 :H","R 3","146","","","Amesite","- Al2 H4 Mg2 O9 Si -","- Al12.003 Mg11.997 O54 Si6 -","- Al12.003 Mg11.997 O54 Si6 -","","","","Steadman, R.; Nuttall, P. M.","The crystal structure of amesite Note: polytype 6R","Acta Crystallographica","1962","15","","510","511","10.1107/S0365110X62001267","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017676","8.316","","8.316","","13.202","","90","","90","","120","","790.677","","","","","","","","","","","","Blue Bell claims, San Bernardino County, California, USA","5","R 3 :H","R 3","146","","","Mojaveite","- Cl Cu6 H9 O13 Te -","- Cl3 Cu18 H27 O39 Te3 -","- Cl3 Cu18 H27 O39 Te3 -","","","","Mills, S. J.; Kampf, A. R.; Christy, A. G.; Housley, R. M.; Rossman, G. R.; Reynolds, R. E.; Marty, J.","Bluebellite and mojaveite, two new minerals from the central Mojave Desert, California, USA","Mineralogical Magazine","2014","78","","1325","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:32",""
"9017677","8.3017","","8.3017","","13.259","","90","","90","","120","","791.363","","","","","","","","","","","","Blue Bell claims, San Bernardino County, California, USA","5","R 3 :H","R 3","146","","","Bluebellite","- Cl Cu6 H10 I O13 -","- Cl3 Cu18 H30 I3 O39 -","- Cl3 Cu18 H30 I3 O39 -","","","","Mills, S. J.; Kampf, A. R.; Christy, A. G.; Housley, R. M.; Rossman, G. R.; Reynolds, R. E.; Marty, J.","Bluebellite and mojaveite, two new minerals from the central Mojave Desert, California, USA","Mineralogical Magazine","2014","78","","1325","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017742","15.728","","15.728","","22.004","","90","","90","","120","","4713.89","","","","","","","","","","","","Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","4","R 3 :H","R 3","146","","","Dobrovolskyite","- Ca2 Na8 O24 S6 -","- Ca18 Na72 O216 S54 -","- Ca18 Na72 O216 S54 -","","","","Shablinskii, A. P.; Filatov, S. K.; Krivivichev, S. V.; Vergasova L P. Moskaleva S V; Avdontseva, E. Y.; Knyazev, A. V.; Bubnova, R. S.","Dobrovolskyite, Na4Ca(SO4)3, a new fumarolic sulfate from the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","Mineralogical Magazine","2021","85","","233","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""