# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-15T09:41:11+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R 3 c :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
"1000070","5.1562","0.0009","5.1562","0.0009","13.664","0.003","90","","90","","120","","314.6","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Lithium niobium tungstate - $-beta","","- Li Nb O6 W -","- Li Nb O6 W -","- Li3 Nb3 O18 W3 -","3","0.166667","","Fourquet, J L; Le Bail, A; Gillet, P A","Li Nb W O~6~: Crystal structure of its two allotropic forms","Materials Research Bulletin","1988","23","","1163","1170","10.1016/0025-5408(88)90207-3","","","","","","0.1028","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001090","5.5876","0.0003","5.5876","0.0003","13.867","0.001","90","","90","","120","","374.9","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth iron(III) oxide","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Moreau, J M; Michel, C; Gerson, R; James, W J","Ferroelectric Bi Fe O~3~ X-Ray and neutron diffraction study","Journal of Physics and Chemistry of Solids","1971","32","","1315","1320","10.1016/S0022-3697(71)80189-0","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001505","5.148","0.003","5.148","0.003","13.763","0.008","90","","90","","120","","315.9","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Lithium niobium tellurium(VI) oxide (1.75/1.75/0.25/6)","","- Li1.75 Nb1.75 O6 Te0.25 -","- Li1.75 Nb1.75 O6 Te0.25 -","- Li5.25 Nb5.25 O18 Te0.75 -","3","0.166667","","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","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004126","15.531","0.012","15.531","0.012","9.163","0.008","90","","90","","120","","1914.1","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Triammonium indium sulfate(VI)","","- H12 In N3 O12 S3 -","- H12 In N3 O12 S3 -","- H72 In6 N18 O72 S18 -","6","0.333333","","Jolibois, B; Laplace, G; Abraham, F; Nowogrocki, G","Monoclinic-trigonal transition in some M(I)3 M'(III) (S O4)3 compounds: The high temperature form of (N H4) In (S O4)3","Journal of Solid State Chemistry","1981","40","","69","74","10.1016/0022-4596(81)90363-7","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008224","11.835","0.003","11.835","0.003","29.991","0.009","90","","90","","120","","3638","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth(I) tetrachloroaluminate","","- Al Bi Cl4 -","","","18","1","","Levy, H A; Agron, P A; Danford, M D; Ellison, R D","Cell dimensions and space group of bismuth(I) chloro-aluminate.","Acta Crystallographica (1,1948-23,1967)","1961","14","","549","550","10.1107/S0365110X61001753","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1011161","10.74","","10.74","","8.64","","90","","90","","120","","863.1","","","","","","","","","","","","from Schneeberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioarsenate(III)","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011162","11.04","","11.04","","8.71","","90","","90","","120","","919.4","","","","","","","","","","","","from Freiberg, Saxony","3","R 3 c :H","R 3 -2""c","161","","Silver trithioantimonate(III)","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Harker, D","The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3","Journal of Chemical Physics","1936","4","","381","390","10.1063/1.1749863","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501995","34.4501","0.0004","34.4501","0.0004","11.2367","0.0003","90","","90","","120","","11549.2","0.4","296","2","296","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C33 H24 O4 -","- C33 H24 O4 -","- C594 H432 O72 -","18","1","","Chen, Zuliang; Wei, Lai; Zhang, Junliang","Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.","Organic letters","2011","13","5","1170","1173","10.1021/ol2000292","","","0.71073","MoKα","","0.0369","0.0311","","","0.0683","0.0717","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502727","23.5657","0.0004","23.5657","0.0004","9.5946","0.0002","90","","90","","120","","4614.43","0.15","123","2","123","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C180 H252 N36 O18 -","18","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0621","0.0599","","","0.1622","0.1643","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509133","10.2958","0.0019","10.2958","0.0019","32.34","0.006","90","","90","","120","","2968.9","1","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","1,4,7- tri-iso-propyloxatriquinanium Hexafluorophosphate","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C108 H198 F36 O6 P6 -","6","0.333333","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0194","0.0191","","","0.0564","0.0568","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509751","10.913","","10.913","","8.762","","90","","90","","120","","903.696","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ag3 (As S3)","","- Ag2.913 As S3 -","- Ag2.913 As S3 -","- Ag17.478 As6 S18 -","6","0.333333","","Pawlowski, A.; Gagor, A.; Pietraszko, A.","Silver transfer in proustite Ag3 As S3 at high temperatures: Conductivity and single-crystal X-ray studies","Journal of Solid State Chemistry","2009","182","","451","456","10.1016/j.jssc.2008.11.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510618","5.167","","5.167","","33.913","","90","","90","","120","","784.104","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Zr (B O3)2","","- B2 Ba O6 Zr -","- B2 Ba O6 Zr -","- B12 Ba6 O36 Zr6 -","6","0.333333","","Gravereau, P.; Lebraud, E.; Hornebecq, V.; Chaminade, J.P.","Ba Zr (B O3)2: a non-centrosymmetric dolomite-type superstructure","Materials Research Bulletin","2002","37","","2165","2178","10.1016/S0025-5408(02)00899-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511246","12.1144","","12.1144","","7.0126","","90","","90","","120","","891.279","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Pr (B N2)","","- B N2 Pr -","- B N2 Pr -","- B18 N36 Pr18 -","18","1","","Klesnar, H.; Rogl, P.","The crystal structure of Pr B N2 and isotypic compounds RE B N2 (RE= Nd, Sm, Gd)","Journal of Solid State Chemistry","1992","98","","99","104","10.1016/0022-4596(92)90074-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511659","8.588","","8.588","","21.05","","90","","90","","120","","1344.52","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(Mg1.55 Fe1.43 Mn0.021) B7 O13 Cl","","- B7 Cl Fe1.43 Mg1.55 Mn0.021 O13 -","- B7 Cl Fe1.431 Mg1.551 Mn0.021 O13 -","- B42 Cl6 Fe8.586 Mg9.306 Mn0.126 O78 -","6","0.333333","","Schindler, M.; Hawthorne, F.C.","The crystal structure of trembathite, (Mg1.55 Fe1.43 Mn0.02) B7 O13 Cl, a mineral of the boracite group: an example of the insertion of a cluster into a three-dimensional net","Canadian Mineralogist","1998","36","","1195","1201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511663","8.5309","","8.5309","","21.12","","90","","90","","120","","1331.11","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Co3 B7 O13 F (O H)","","- B7 Co3 F O13 -","- B7 Co3 F O13 -","- B42 Co18 F6 O78 -","6","0.333333","","Yvon, K.; Depmeier, W.; Schmid, H.; Boutellier, R.; Berset, G.","Single Crystal X-ray Study of Rhombohedral Cobalt - Fluorine - OH -Boracite","Ferroelectrics","1984","56","","13","16","10.1080/00150198408012708","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511674","8.64534","","8.64534","","21.20349","","90","","90","","120","","1372.47","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Fe3 (I B7 O13)","","- B7 Fe3 I O13 -","- B7 Fe3 I O13 -","- B42 Fe18 I6 O78 -","6","0.333333","","Kubel, F.","Powder diffraction refinement of cubic and rhombohedral iron iodine boracite, Fe3 B7 O13 I","Ferroelectrics","1994","160","","61","65","10.1080/00150199408007695","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511702","11.0223","","11.0223","","17.106","","90","","90","","120","","1799.8","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Li (B9 O15)","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.333333","","Nowogrocki, G.; Touboul, M.; Seguin, L.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M= Ba, Sr and M'= Li; M= Ba and M'= Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511704","11.0933","","11.0933","","17.392","","90","","90","","120","","1853.54","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Na (B9 O15)","","- B9 Ba Na O15 -","- B9 Ba Na O15 -","- B54 Ba6 Na6 O90 -","6","0.333333","","Nowogrocki, G.; Penin, N.; Touboul, M.; Seguin, L.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511710","10.6129","","10.6129","","17.555","","90","","90","","120","","1712.38","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sr Li (B9 O15)","","- B9 Li O15 Sr -","- B9 Li O15 Sr -","- B54 Li6 O90 Sr6 -","6","0.333333","","Nowogrocki, G.; Seguin, L.; Touboul, M.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515630","24.8014","0.0016","24.8014","0.0016","6.835","0.0009","90","","90","","120","","3641","0.6","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C30 H21 Cl3 -","- C30 H21 Cl3 -","- C180 H126 Cl18 -","6","0.333333","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","","0.71073","MoKα","","0.0357","0.0344","","","0.0828","0.0834","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515908","9.891","0.005","9.891","0.005","33.183","0.005","90","","90","","120","","2811","2","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 Co N4 O4 -","- C12 H30 Cl2 Co N4 O4 -","- C72 H180 Cl12 Co6 N24 O24 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71069","MoKα","","0.032","0.0287","","","0.0775","0.0801","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515910","9.9025","0.0003","9.9025","0.0003","33.1835","0.0012","90","","90","","120","","2818.01","0.16","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 O4 Zn -","- C12 H30 Cl2 N4 O4 Zn -","- C72 H180 Cl12 N24 O24 Zn6 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0373","0.0283","","","0.0597","0.0639","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516019","10.973","0.001","10.973","0.001","17.049","0.002","90","","90","","120","","1777.8","0.3","290","","290","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.333333","","Reshak, A. H.; Chen, Xuean; Auluck, S.; Kamarudin, H.; Chyský, Jan; Wojciechowski, A.; Kityk, I. V.","Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment.","The journal of physical chemistry. B","2013","117","45","14141","14150","10.1021/jp4077905","","","0.71073","MoKα","","0.0151","0.0131","","","0.035","0.0354","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517011","16.6502","0.0004","16.6502","0.0004","51.313","0.002","90","","90","","120","","12319.6","0.6","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H51 N6 O84 Tm3 W12 -","- C21 H51 N6 O84 Tm3 W12 -","- C126 H306 N36 O504 Tm18 W72 -","6","0.333333","","Dan-Dan Liu; Ya-Guang Chen","Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property","Inorganica Chimica Acta","2013","401","","70","75","","","","0.71073","MoKα","","0.0636","0.0449","","","0.0866","0.0948","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517012","16.6606","0.0009","16.6606","0.0009","51.316","0.004","90","","90","","120","","12335.7","1.3","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H51 N6 O87 W12 Yb3 -","- C21 H51 N6 O87 W12 Yb3 -","- C126 H306 N36 O522 W72 Yb18 -","6","0.333333","","Dan-Dan Liu; Ya-Guang Chen","Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property","Inorganica Chimica Acta","2013","401","","70","75","","","","0.71073","MoKα","","0.0478","0.0383","","","0.0883","0.0946","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517013","16.6308","0.0008","16.6308","0.0008","51.164","0.005","90","","90","","120","","12255.2","1.5","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H21 Lu3 N6 O80 W12 -","- C21 H21 Lu3 N6 O80 W12 -","- C126 H126 Lu18 N36 O480 W72 -","6","0.333333","","Dan-Dan Liu; Ya-Guang Chen","Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property","Inorganica Chimica Acta","2013","401","","70","75","","","","0.71073","MoKα","","0.0432","0.0352","","","0.0843","0.0974","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517238","10.4352","","10.4352","","37.4029","","90","","90","","120","","3527.26","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ca3 (P O4)2","","- Ca3 O8 P2 -","- Ca2.98 O8 P2 -","- Ca62.58 O168 P42 -","21","1.16667","","Kamiyama, T.; Hoshikawa, A.; Yashima, M.; Sakai, A.","Crystal structure analysis of beta-tricalcium phosphate Ca3(PO4)2 by neutron powder diffraction","Journal of Solid State Chemistry","2003","175","","272","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519391","18.4298","0.0012","18.4298","0.0012","16.84","0.0011","90","","90","","120","","4953.5","0.6","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl N3 Si6 Th -","- C18 H54 Cl N3 Si6 Th -","- C108 H324 Cl6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0213","0.0176","","","0.0417","0.0437","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519393","18.328","0.005","18.328","0.005","17.356","0.005","90","","90","","120","","5049","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 I N3 Si6 Th -","- C18 H54 I N3 Si6 Th -","- C108 H324 I6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0458","0.0295","","","0.0681","0.0772","","","","","","0.891","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520814","10.3276","","10.3276","","37.1","","90","","90","","120","","3426.92","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Co Li (P O4)7","","- Ca9 Co Li O28 P7 -","- Ca9 Co Li O28 P7 -","- Ca54 Co6 Li6 O168 P42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates","Materials Research Bulletin","1999","34","","883","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520816","10.3515","","10.3515","","37.073","","90","","90","","120","","3440.29","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Co Na (P O4)7","","- Ca9 Co Na O28 P7 -","- Ca9 Co Na O28 P7 -","- Ca54 Co6 Na6 O168 P42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates","Materials Research Bulletin","1999","34","","883","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520817","10.4017","","10.4017","","37.009","","90","","90","","120","","3467.74","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Co K (P O4)7","","- Ca9 Co K O28 P7 -","- Ca9 Co K O28 P7 -","- Ca54 Co6 K6 O168 P42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates","Materials Research Bulletin","1999","34","","883","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521772","5.1378","","5.1378","","13.4987","","90","","90","","120","","308.587","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Postnikov, A.V.; Caciuc, V.; Borstel, G.","Structure optimization and frozen phonons in Li Nb O3","Journal of Physics and Chemistry of Solids","2000","61","","295","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525622","5.755","","5.755","","14.178","","90","","90","","120","","406.664","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Pb0.94 Sr0.06) ((Zr0.6 Ti0.4) O3)","","- O3 Pb0.94 Sr0.06 Ti0.4 Zr0.6 -","- O3 Pb0.94 Sr0.06 Ti0.4 Zr0.6 -","- O18 Pb5.64 Sr0.36 Ti2.4 Zr3.6 -","6","0.333333","","Bedoya, C.; Roubin, M.; Muller, C.; Baudour, J.L.; Anne, M.; Madigou, V.","Sr-doped Pb Zr1-x Tix O3 ceramic: structural study and fieldinduced reorientation of ferroelectric domains","Materials Science and Engineering B","2000","75","","43","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","146650","2020-10-21","18:00:00",""
"1525634","10.8592","","10.8592","","38.035","","90","","90","","120","","3884.27","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Tb (V O4)7","","- Ca9 O28 Tb V7 -","- Ca9 O28 Tb V7 -","- Ca54 O168 Tb6 V42 -","6","0.333333","","Belik, A.A.; Kotov, R.N.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y","Kristallografiya","2000","45","","432","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525635","10.8564","","10.8564","","38.009","","90","","90","","120","","3879.62","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Dy (V O4)7","","- Ca9 Dy O28 V7 -","- Ca9 Dy O28 V7 -","- Ca54 Dy6 O168 V42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Lazoryak, B.I.; Khasanov, S.S.; Kotov, R.N.","Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y","Kristallografiya","2000","45","","432","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525636","10.8565","","10.8565","","37.995","","90","","90","","120","","3878.26","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Ho (V O4)7","","- Ca9 Ho O28 V7 -","- Ca9 Ho O28 V7 -","- Ca54 Ho6 O168 V42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Kotov, R.N.; Lazoryak, B.I.","Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y","Kristallografiya","2000","45","","432","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525637","10.8588","","10.8588","","37.995","","90","","90","","120","","3879.9","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Y (V O4)7","","- Ca9 O28 V7 Y -","- Ca8.99 O28 V7 Y1.01 -","- Ca53.94 O168 V42 Y6.06 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Kotov, R.N.; Lazoryak, B.I.","Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y","Kristallografiya","2000","45","","432","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525638","10.872","","10.872","","38.121","","90","","90","","120","","3902.24","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Nd (V O4)7","","- Ca9 Nd O28 V7 -","- Ca9.01 Nd0.99 O28 V7 -","- Ca54.06 Nd5.94 O168 V42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Grechkin, S.V.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce","Kristallografiya","2000","45","","798","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525639","10.8652","","10.8652","","38.098","","90","","90","","120","","3895.01","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Sm (V O4)7","","- Ca9 O28 Sm V7 -","- Ca9.001 O28 Sm0.999 V7 -","- Ca54.006 O168 Sm5.994 V42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Grechkin, S.V.; Lazoryak, B.I.","Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce","Kristallografiya","2000","45","","798","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525640","10.8631","","10.8631","","38.072","","90","","90","","120","","3890.84","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Gd (V O4)7","","- Ca9 Gd O28 V7 -","- Ca9.001 Gd0.999 O28 V7 -","- Ca54.006 Gd5.994 O168 V42 -","6","0.333333","","Belik, A.A.; Lazoryak, B.I.; Morozov, V.A.; Khasanov, S.S.; Grechkin, S.V.","Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce","Kristallografiya","2000","45","","798","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525641","10.8552","","10.8552","","38.037","","90","","90","","120","","3881.62","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9.812 Ce0.414 (V O4)7","","- Ca9.812 Ce0.414 O28 V7 -","- Ca9.812 Ce0.414 O28 V7 -","- Ca58.872 Ce2.484 O168 V42 -","6","0.333333","","Belik, A.A.; Morozov, V.A.; Lazoryak, B.I.; Grechkin, S.V.; Khasanov, S.S.","Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce","Kristallografiya","2000","45","","798","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","146669","2020-10-21","18:00:00",""
"1525642","10.8554","","10.8554","","37.967","","90","","90","","120","","3874.61","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Er (V O4)7","","- Ca9 Er O28 V7 -","- Ca9.019 Er0.981 O28 V7 -","- Ca54.114 Er5.886 O168 V42 -","6","0.333333","","Belik, A.A.; Dmitrienko, L.O.; Grechkin, S.V.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu","Kristallografiya","2000","45","","976","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525643","10.855","","10.855","","37.95","","90","","90","","120","","3872.59","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Tm (V O4)7","","- Ca9 O28 Tm V7 -","- Ca9 O28 Tm V7 -","- Ca54 O168 Tm6 V42 -","6","0.333333","","Belik, A.A.; Grechkin, S.V.; Dmitrienko, L.O.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu","Kristallografiya","2000","45","","976","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525644","10.8564","","10.8564","","37.924","","90","","90","","120","","3870.94","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Yb (V O4)7","","- Ca9 O28 V7 Yb -","- Ca8.998 O28 V7 Yb1.002 -","- Ca53.988 O168 V42 Yb6.012 -","6","0.333333","","Belik, A.A.; Grechkin, S.V.; Lazoryak, B.I.; Dmitrienko, L.O.; Morozov, V.A.; Khasanov, S.S.","Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu","Kristallografiya","2000","45","","976","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525645","10.8566","","10.8566","","37.88","","90","","90","","120","","3866.59","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9 Lu (V O4)7","","- Ca9 Lu O28 V7 -","- Ca9.001 Lu0.999 O28 V7 -","- Ca54.006 Lu5.994 O168 V42 -","6","0.333333","","Belik, A.A.; Grechkin, S.V.; Dmitrienko, L.O.; Lazoryak, B.I.; Morozov, V.A.; Khasanov, S.S.","Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu","Kristallografiya","2000","45","","976","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525672","6.84993","","6.84993","","16.1205","","90","","90","","120","","655.06","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Cs (Pb F3)","","- Cs F3 Pb -","- Cs F3 Pb -","- Cs6 F18 Pb6 -","6","0.333333","","Berastegui, P.; Eriksson, S.G.; Hull, S.","A low-temperature structural phase transition in Cs Pb F3","Journal of Physics: Condensed Matter","2001","13","","5077","5088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525910","5.756","","5.756","","14.242","","90","","90","","120","","408.642","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Pb (Zr0.6 Ti0.4) O3","","- O3 Pb Ti0.4 Zr0.6 -","- O3 Pb Ti0.4 Zr0.6 -","- O18 Pb6 Ti2.4 Zr3.6 -","6","0.333333","","Dmowski, W.; Egami, T.; Farber, L.; Davies, P.K.","Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary","AIP Conference Proceedings","2001","582","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526053","10.4203","","10.4203","","37.3895","","90","","90","","120","","3515.93","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9.95 Li1.05 (P O4)7","","- Ca9.95 Li1.05 O28 P7 -","- Ca9.95 Li1.05 O28 P7 -","- Ca59.7 Li6.3 O168 P42 -","6","0.333333","","Morozov, V.A.; Belik, V.A.; Lazoryak, B.I.; Presnyakov, I.A.; Khasanov, S.S.; Kotov, R.N.","Crystal structure of calcium alkali metal phosphates Ca10 M (P O4)7 (M = Li, Na, K)","Kristallografiya","2000","45","","19","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","147156","2020-10-21","18:00:00",""
"1526055","10.4391","","10.4391","","37.30959","","90","","90","","120","","3521.09","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca10 Na (P O4)7","","- Ca10 Na O28 P7 -","- Ca10 Na O28 P7 -","- Ca60 Na6 O168 P42 -","6","0.333333","","Morozov, V.A.; Kotov, R.N.; Belik, V.A.; Presnyakov, I.A.; Khasanov, S.S.; Lazoryak, B.I.","Crystal structure of calcium alkali metal phosphates Ca10 M (P O4)7 (M = Li, Na, K)","Kristallografiya","2000","45","","19","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528077","10.75","","10.75","","38.091","","90","","90","","120","","3812.15","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ca3 (Cr O4)2","","- Ca3 Cr2 O8 -","- Ca3.00143 Cr2 O8 -","- Ca63.03 Cr42 O168 -","21","1.16667","","Sinha, D.P.; Srivastava, B.C.","A study of the structures of calcium chromate","Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science","1973","47","","746","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","149962","2020-10-21","18:00:00",""
"1528378","5.58471","","5.58471","","13.8157","","90","","90","","120","","373.168","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Bi (Ti0.375 Fe0.25 Ni0.375) O3","","- Bi Fe0.25 Ni0.375 O3 Ti0.375 -","- Bi0.9999 Fe0.25 Ni0.375 O3 Ti0.375 -","- Bi5.9994 Fe1.5 Ni2.25 O18 Ti2.25 -","6","0.333333","","Bridges, C.A.; Kuang Xiaojun; Allix, M.; Suchomel, M.R.; Sterianou, I.; Sinclair, D.C.; Rosseinsky, M.J.","A pure bismuth A site polar perovskite synthesized at ambient pressure","Angew. Chem. Int. ed.","2007","46","","8785","8789","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528379","5.60398","","5.60398","","13.93081","","90","","90","","120","","378.879","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Bi (Ti0.375 Fe0.25 Mg0.375) O3","","- Bi Fe0.25 Mg0.375 O3 Ti0.375 -","- Bi0.9999 Fe0.25 Mg0.375 O3 Ti0.375 -","- Bi5.9994 Fe1.5 Mg2.25 O18 Ti2.25 -","6","0.333333","","Bridges, C.A.; Allix, M.; Suchomel, M.R.; Sterianou, I.; Kuang Xiaojun; Sinclair, D.C.; Rosseinsky, M.J.","A pure bismuth A site polar perovskite synthesized at ambient pressure","Angew. Chem. Int. ed.","2007","46","","8785","8789","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528671","7.555","","7.555","","24.449","","90","","90","","120","","1208.54","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li8 Zn2 Ge3","","- Ge3 Li8 Zn2 -","- Ge3 Li8 Zn2 -","- Ge18 Li48 Zn12 -","6","0.333333","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","151201","2020-10-21","18:00:00",""
"1528887","5.3781","","5.3781","","13.604","","90","","90","","120","","340.765","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Hg Ti O3","","- Hg O3 Ti -","- Hg O3 Ti -","- Hg6 O18 Ti6 -","6","0.333333","","Sleight, A.W.; Prewitt, C.T.","High pressure Hg Ti O3 and Hg Pb O3. Preparation, Chacterization, and Structure","Journal of Solid State Chemistry","1973","6","","509","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529028","18.668","","18.668","","7.953","","90","","90","","120","","2400.25","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","(In (O H) (C2 O4) (H2 O))3 (H2 O)","","- C6 H11 In3 O19 -","- C6 H11 In3 O19 -","- C36 H65.9999 In18 O114 -","6","0.333333","","Yang, S.; Li, G.; Tian, S.; Liao, F.; Lin, J.","An open-framework three-dimensional indium oxalate: [In (O H) (C2 O4) (H2 O)]3.H2 O","Journal of Solid State Chemistry","2005","178","","3703","3707","","","","","","","","","","","","","","","","","","","","","","has coordinates","151948","2020-10-21","18:00:00",""
"1529464","10.66855","0.0002","10.66855","0.0002","38.9832","0.00084","90","","90","","120","","3842.54","0.13","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca0.5 O4 P Sr1.05 -","- Ca0.500143 O4 P Sr1.05343 -","- Ca21.006 O168 P42 Sr44.244 -","42","2.33333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.07","2.145","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529465","10.56198","0.00031","10.56198","0.00031","38.0712","0.0013","90","","90","","120","","3678.1","0.2","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca O4 P Sr0.43 -","- Ca1.00029 O4 P Sr0.426 -","- Ca42.012 O168 P42 Sr17.892 -","42","2.33333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.45","1.665","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529466","10.4414","0.0002","10.4414","0.0002","37.4208","0.00083","90","","90","","120","","3533.14","0.12","300","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Ca11 O28 P7 -","- Ca11 O28 P7 -","- Ca66 O168 P42 -","6","0.333333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.4","1.408","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529478","39.973","0.004","39.973","0.004","18.0631","0.0018","90","","90","","120","","24995","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0559","0.0506","","0.1033","0.1","0.103","","","","","","0.9136","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529479","39.896","0.004","39.896","0.004","18.0796","0.0017","90","","90","","120","","24922","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0755","0.0573","","0.1415","0.1264","0.1415","","","","","","0.9515","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529487","10.652543","0.00008","10.652543","0.00008","40.96937","0.00036","90","","90","","120","","4026.21","0.06","300","","300","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Bi2 Cs4 Mo6 Na2 O24 -","- Bi2 Cs4 Mo6 Na2 O24 -","- Bi12 Cs24 Mo36 Na12 O144 -","6","0.333333","","A.A. Savina; V.V. Atuchin; S.F. Solodovnikov; Z.A. Solodovnikova; A.S. Krylov; E.A. Maximovskiy; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; E.G. Khaikina","Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs2NaBi(MoO4)3","Journal of Solid State Chemistry","2015","225","0","53","58","10.1016/j.jssc.2014.11.023","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.95","1.216","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529747","4.9711","","4.9711","","14.788","","90","","90","","120","","316.479","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li2 (Re O3)","","- Li2 O3 Re -","- Li2 O3 Re -","- Li12 O18 Re6 -","6","0.333333","","Cava, R.J.; Roth, R.S.; Santoro, A.; Zahurak, S.M.; Murphy, D.W.","Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe V3 O8","Solid State Ionics","1981","5","","323","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530685","16.03999","","16.03999","","9.479","","90","","90","","120","","2112.04","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Cs3 Yb (S O4)3","","- Cs3 O12 S3 Yb -","- Cs3 O12 S3 Yb -","- Cs18 O72 S18 Yb6 -","6","0.333333","","Samartsev, B.G.; Pokrovskii, A.N.; Kovba, L.M.","Structure of Cs3 Yb (S O4)3","Kristallografiya","1980","25","","394","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531116","10.3554","","10.3554","","37.133","","90","","90","","120","","3448.45","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Mn Li (P O4)7","","- Ca9 Li Mn O28 P7 -","- Ca9 Li Mn O28 P7 -","- Ca54 Li6 Mn6 O168 P42 -","6","0.333333","","Belik, A.A.; Gutan, V.B.; Ivanov, L.N.; Lazoryak, B.I.","Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K)","Zhurnal Neorganicheskoi Khimii","2001","46","","885","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531117","10.3764","","10.3764","","37.079","","90","","90","","120","","3457.42","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Mn Na (P O4)7","","- Ca9 Mn Na O28 P7 -","- Ca9 Mn Na O28 P7 -","- Ca54 Mn6 Na6 O168 P42 -","6","0.333333","","Belik, A.A.; Gutan, V.B.; Ivanov, L.N.; Lazoryak, B.I.","Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K)","Zhurnal Neorganicheskoi Khimii","2001","46","","885","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531118","10.4179","","10.4179","","37.009","","90","","90","","120","","3478.55","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Mn K (P O4)7","","- Ca9 K Mn O28 P7 -","- Ca9 K Mn O28 P7 -","- Ca54 K6 Mn6 O168 P42 -","6","0.333333","","Belik, A.A.; Lazoryak, B.I.; Gutan, V.B.; Ivanov, L.N.","Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K)","Zhurnal Neorganicheskoi Khimii","2001","46","","885","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531376","5.4308","","5.4308","","14.1194","","90","","90","","120","","360.64","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Mn4 (Ta2 O9)","","- Mn4 O9 Ta2 -","- Mn3.999 O9 Ta2.001 -","- Mn7.998 O18 Ta4.002 -","2","0.111111","","Esmaeilzadeh, S.; Grins, J.","Meta-stable phases in the Mn - Ta - O system","Solid State Sciences","2002","4","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","156831","2020-10-21","18:00:00",""
"1531658","10.857","","10.857","","38.063","","90","","90","","120","","3885.56","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","(Ca1.29 Bi0.14) V O4","","- Bi0.14 Ca1.29 O4 V -","- Bi0.140014 Ca1.28997 O4 V -","- Bi5.8806 Ca54.1788 O168 V42 -","42","2.33333","","Kim, M.S.; Lah, S.M.; Kim, H.K.","Crystal structure of Ca1.29 Bi0.14 V O4","Bulletin of the Korean Chemical Society","2002","23","","98","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532012","10.7493","","10.7493","","38.318","","90","","90","","120","","3834.37","","","","","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","(La7.1 Ca1.9) (Fe0.32 Mg0.23 Ca0.3) Ca0.1 (Si O4)3 (Si O3 ((O H)0.9 O0.1))3 (Si O3 (O H))0.9 (O H)3","","- Ca2.3 Fe0.32 H6.6 La7.1 Mg0.23 O30.6 Si6.9 -","- Ca2.302 Fe0.32 La7.098 Mg0.23 O30.6 Si6.9 -","- Ca13.812 Fe1.92 La42.588 Mg1.38 O183.6 Si41.4 -","6","0.333333","","Pakhomovskii, Ya.A.; Men'shikov, Yu.P.; Yakovenchuk, V.N.; Ivanyuk, G.Yu.; Krivovichev, S.V.; Burns, P.C.","Cerite-(La), (La, Ce, Ca)9 (Fe, Ca, Mg) (Si O4)3 (Si O3 (O H))4 (O H)3, a new mineral species from the Khibina alkaline massif: occurrence and crystal structure","Canadian Mineralogist","2002","40","","1177","1184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532188","5.55628","","5.55628","","13.5088","","90","","90","","120","","361.173","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(La0.95 Sr0.05) (Ga0.9 Mg0.1) O2.91","","- Ga0.9 La0.95 Mg0.1 O2.91 Sr0.05 -","- Ga0.9 La0.95 Mg0.1 O2.91 Sr0.05 -","- Ga5.4 La5.7 Mg0.6 O17.46 Sr0.3 -","6","0.333333","","Vasylechko, L.; Berkowski, M.; Vashook, V.; Savytskii, D.; Senyshin, A.; Niewa, R.; Ullmann, H.; Knapp, M.; Matkovskii, A.; Bismayer, U.","Crystal structure, thermal expansion and conductivity of anisotropic La1-x Srx Ga1-2x Mg2x O3-y (x = 0.05, 0.1) single crystals","Journal of Solid State Chemistry","2003","172","","396","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","157850","2020-10-21","18:00:00",""
"1532359","12.5591","","12.5591","","7.5282","","90","","90","","120","","1028.34","","","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","Yb4 As3","","- As3 Yb4 -","- As3 Yb4 -","- As18 Yb24 -","6","0.333333","","Staub, U.; Ochiai, A.; Patterson, B.D.; Fauth, F.; Vaughan, G.M.B.; Soderholm, L.; Schulze-Briese, C.; Cross, J.O.; Shi, M.; Dooryhee, E.","Charge order and crystal structure below the first-order ""metal-insulator"" transition in Yb4 As3","Physik (Berlin)","2002","318","","284","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","158060","2020-10-21","18:00:00",""
"1532913","5.496","","5.496","","13.5063","","90","","90","","120","","353.314","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.8 K0.2)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi3 K0.6 Na2.4 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532916","5.5047","","5.5047","","13.5341","","90","","90","","120","","355.163","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.6 K0.4)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi3 K1.2 Na1.8 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532919","5.5207","","5.5207","","13.567","","90","","90","","120","","358.099","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.5 K0.5)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi3 K1.5 Na1.5 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533823","5.1534","","5.1534","","13.8696","","90","","90","","120","","318.994","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","(Li0.94 Zn0.06) ((Nb0.98 Zn0.02) O3)","","- Li0.94 Nb0.98 O3 Zn0.08 -","- Li0.94 Nb0.98 O3 Zn0.08 -","- Li5.64 Nb5.88 O18 Zn0.48 -","6","0.333333","","Sulyanov, S.; Maximov, B.; Hansen, T.; Volk, T.; Boysen, H.; Schneider, J.; Rubinina, N.","Neutron and X-ray study of stoichiometric and doped Li Nb O3 : Zn0.08","Appl. Phys. A","2002","74","","S1031","S1033","","","","","","","","","","","","","","","","","","","","","","has coordinates","160104","2020-10-21","18:00:00",""
"1533942","10.624","","10.624","","37.694","","90","","90","","120","","3684.5","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","K5 (Cd0.5 Zr1.5) (Mo O4)6","","- Cd0.5 K5 Mo6 O24 Zr1.5 -","- Cd0.5 K5 Mo6 O24 Zr1.5 -","- Cd3 K30 Mo36 O144 Zr9 -","6","0.333333","","Klevtsova, R.F.; Bazarov, B.G.; Glinskaya, L.A.; Bazarova, S.T.; Bazarova, Zh.G.; Klevtsov, P.V.; Fedorov, K.N.","Synthesis and X-ray study of single crystals of K5 (Cd0.5 Zr1.5) (Mo O4)6 triple molybdate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2002","43","","1016","1020","","","","","","","","","","","","","","","","","","","","","","has coordinates","160233","2020-10-21","18:00:00",""
"1534249","8.385","","8.385","","20.71","","90","","90","","120","","1261.01","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ho (B6 O9 (O H)3)","","- B6 H3 Ho O12 -","- B6 Ho O12 -","- B36 Ho6 O72 -","6","0.333333","","Belokoneva, E.L.; Ivanova, A.G.; Stefanovich, S.Yu.; Dimitrova, O.V.; Kurazhkovskaya, V.S.","New Ln (B6 O9 (O H)3) (Ln= Sm- Lu) borates: structure properties, and structural relation to cationic Li4 (B7 O12) Cl conductors (Li-boracites)","Kristallografiya","2004","49","","681","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534250","8.41","","8.41","","20.72","","90","","90","","120","","1269.15","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Gd (B6 O9 (O H)3)","","- B6 Gd H3 O12 -","- B6 Gd O12 -","- B36 Gd6 O72 -","6","0.333333","","Belokoneva, E.L.; Stefanovich, S.Yu.; Ivanova, A.G.; Dimitrova, O.V.; Kurazhkovskaya, V.S.","New Ln (B6 O9 (O H)3) (Ln= Sm- Lu) borates: structure properties, and structural relation to cationic Li4 (B7 O12) Cl conductors (Li-boracites)","Kristallografiya","2004","49","","681","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534889","10.73","","10.73","","37.736","","90","","90","","120","","3762.58","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9.5 Mg.5 (As O4)6 (As O3 O H)","","- As7 Ca9.5 H Mg0.5 O28 -","- As7 Ca9.5 Mg0.5 O28 -","- As42 Ca57 Mg3 O168 -","6","0.333333","","Baumgartner, O.; Pertlik, F.","Die Kristallstruktur von Ca9 (Cax Mg1-x) (As O4)6 (As O3 O H) mit x= .5","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","259","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535313","18.374","","18.374","","63.6678","","90","","90","","120","","18614.8","","","","","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","K12.75 Na4.5 ((Si W8 O31 Cu3 (O H) (H2 O)2 (N3))3 (N3)) (H2 O)24","","- Cu9 H63 K12.75 N12 Na4.5 O126 Si3 W24 -","- Cu9 K12.75 N12 Na4.5 O121.25 Si3 W24 -","- Cu54 K76.5 N72 Na27 O727.5 Si18 W144 -","6","0.333333","","Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.","A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex","Chemistry - A European Journal","2005","11","","1771","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535565","11.2066","","11.2066","","59.9204","","90","","90","","120","","6517.08","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Hg3 Cd Cl2 (S C N)6","","- C6 Cd Cl2 Hg3 N6 S6 -","- C6 Cd Cl2 Hg3 N6 S6 -","- C72 Cd12 Cl24 Hg36 N72 S72 -","12","0.666667","","Mosset, A.; Lecchi, A.; Bagieu-Beucher, M.; Masse, R.; Zaccaro, J.","Crystal engineering strategy of thiocyanates for quadratic nonlinear optics. Hg3 Cd Cl2 (S C N)6 and Hg4 Cd Br4 (S C N)6","Solid State Sciences","2002","4","","827","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535711","24.526","","24.526","","9.786","","90","","90","","120","","5097.88","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Rb In I4","","- I4 In Rb -","- I4 In Rb -","- I72 In18 Rb18 -","18","1","","Burnus, R.; Meyer, G.","Synthese und Kristallstrukturen der Alkali-Tetraiodoindate(III), AInI4 (A = Li, K, Rb, Cs)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","31","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536243","9.6481","","9.6481","","20.7832","","90","","90","","120","","1675.43","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sc2 (Se O3)3 (H2 O)3","","- H6 O12 Sc2 Se3 -","- H6 O12 Sc2 Se3 -","- H36 O72 Sc12 Se18 -","6","0.333333","","Johnston, M.G.; Harrison, W.T.A.","Syntheses and structures of three new scandium selenites: Sc2 (Se O3)3.H2 O, Sc2 (Se O3)3.3H2 O and Cs Se3 (Sc3 O3)4 (H Se O3)2.2H2 O","Journal of Solid State Chemistry","2004","177","","4316","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","163881","2020-10-21","18:00:00",""
"1536762","10.576","","10.576","","37.511","","90","","90","","120","","3633.56","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","K5 (Mg0.5 Zr1.5) (Mo O4)6","","- K5 Mg0.5 Mo6 O24 Zr1.5 -","- K5 Mg0.5 Mo6 O24 Zr1.5 -","- K30 Mg3 Mo36 O144 Zr9 -","6","0.333333","","Klevtsova, R.F.; Bazarova, Zh.G.; Bazarov, B.G.; Glinskaya, L.A.; Alekseev, V.I.; Arkhincheeva, S.I.; Klevtsov, P.V.; Fedorov, K.N.","Synthesis of triple molybdates of potassium, magnesium, zirconium and K5 (Mg0.5 Zr1.5) (Mo O4)6 structure","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1994","35","","11","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","164611","2020-10-21","18:00:00",""
"1536765","10.584","","10.584","","37.576","","90","","90","","120","","3645.36","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","K5 (Mn0.5 Zr.5) Zr (Mo O4)6","","- K5 Mn0.5 Mo6 O24 Zr1.5 -","- K5 Mn0.5 Mo6 O24 Zr1.5 -","- K30 Mn3 Mo36 O144 Zr9 -","6","0.333333","","Klevtsova, R.F.; Fedorov, K.N.; Glinskaya, L.A.; Bazarova, Zh.G.; Klevtsov, P.V.; Bazarov, B.G.","Crystal structure study of K5 (Mn0.5 Zr1.5) (Mo O4)6 ternary molybdate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","895","899","","","","","","","","","","","","","","","","","","","","","","has coordinates","164615","2020-10-21","18:00:00",""
"1536779","10.82","","10.82","","8.69","","90","","90","","120","","881.059","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Engel, P.; Nowacki, W.","Die Verfeinerung der Kristallstruktur von Proustit, Ag3 As S3 und Pyrargyrit, Ag3 Sb S3","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1966","1966","","181","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537256","5.144","","5.144","","13.835","","90","","90","","120","","317.038","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Li Nb O2 F","","- F Li Nb O2 -","- F0.999 Li Nb O2.001 -","- F5.994 Li6 Nb6 O12.006 -","6","0.333333","","Ruedorff, W.; Krug, D.","Alkaliniob(IV)-dioxidfluoride","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","329","","211","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537330","25.215","","25.215","","7.839","","90","","90","","120","","4316.28","","","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- Ga2 I4 -","- Ga2 I4 -","- Ga36 I72 -","18","1","","Gerlach, G.; Hoenle, W.; Simon, A.","Eigenschaften und Strukturen reduzierter Galliumiodide: Ga2 I4 und Ga2 I3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1982","486","","7","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537533","10.616","","10.616","","37.959","","90","","90","","120","","3704.82","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Tl5 (Mg0.5 Zr1.5) (Mo O4)6","","- Mg0.5 Mo6 O24 Tl5 Zr1.5 -","- Mg0.5 Mo6 O24 Tl5 Zr1.5 -","- Mg3 Mo36 O144 Tl30 Zr9 -","6","0.333333","","Klevtsova, R.F.; Bazarov, B.G.; Glinskaya, L.A.; Fedorov, K.N.; Bazarova, Ts.T.; Bazarova, Zh.G.; Klevtsov, P.V.","Thallium magnum zirconium molybdate Tl5 Mg0.5 Zr1.5 (Mo O4)6: synthesis, crystal structure and properties","Zhurnal Neorganicheskoi Khimii","2003","48","","1547","1550","","","","","","","","","","","","","","","","","","","","","","has coordinates","165748","2020-10-21","18:00:00",""
"1538334","11.0118","","11.0118","","38.643","","90","","90","","120","","4058.06","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Ca5.9 Bi1.1) Sr3 (V O4)7","","- Bi1.1 Ca5.9 O28 Sr3 V7 -","- Bi1.1 Ca5.9 O28 Sr3 V7 -","- Bi6.6 Ca35.4 O168 Sr18 V42 -","6","0.333333","","Malakho, A.P.; Kobyletskii, K.K.; Baryshnikova, O.V.; Morozov, V.A.; Lazoryak, B.I.; Stefanovich, S.Yu.","Solid solutions in the Ca9 Bi (V O4)7 - Sr9 Bi (V O4)7 system: the structure, ferroelectric properties and nonlinear-optical properties","Zhurnal Neorganicheskoi Khimii","2003","48","","1851","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","166802","2020-10-21","18:00:00",""
"1538335","11.0776","","11.0776","","38.078","","90","","90","","120","","4046.65","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca4 Sr5 Bi (V O4)7","","- Bi Ca4 O28 Sr5 V7 -","- Bi1.03 Ca3.93 O28 Sr5.04 V7 -","- Bi6.18 Ca23.58 O168 Sr30.24 V42 -","6","0.333333","","Malakho, A.P.; Kobyletskii, K.K.; Baryshnikova, O.V.; Morozov, V.A.; Stefanovich, S.Yu.; Lazoryak, B.I.","Solid solutions in the Ca9 Bi (V O4)7 - Sr9 Bi (V O4)7 system: the structure, ferroelectric properties and nonlinear-optical properties","Zhurnal Neorganicheskoi Khimii","2003","48","","1851","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538337","10.859","","10.859","","37.928","","90","","90","","120","","3873.2","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Ca8 Bi) (Ca0.5 Zn0.5) (V O4)7","","- Bi Ca8.5 O28 V7 Zn0.5 -","- Bi1.059 Ca8.441 O28 V7 Zn0.5 -","- Bi6.354 Ca50.646 O168 V42 Zn3 -","6","0.333333","","Malakho, A.P.; Vorontsova, O.L.; Lazoryak, B.I.; Morozov, V.A.; Stefanovich, S.Yu.","Ferroelectric and nonlinear properties of Ca9-x Znx Bi (V O4)7 vanadates","Zhurnal Neorganicheskoi Khimii","2004","49","","165","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538339","10.8451","","10.8451","","37.867","","90","","90","","120","","3857.08","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Ca8 Bi) Zn (V O4)7","","- Bi Ca8 O28 V7 Zn -","- Bi1.017 Ca7.983 O28 V7 Zn -","- Bi6.102 Ca47.898 O168 V42 Zn6 -","6","0.333333","","Malakho, A.P.; Lazoryak, B.I.; Vorontsova, O.L.; Morozov, V.A.; Stefanovich, S.Yu.","Ferroelectric and nonlinear properties of Ca9-x Znx Bi (V O4)7 vanadates","Zhurnal Neorganicheskoi Khimii","2004","49","","165","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538758","8.733","","8.733","","31.17","","90","","90","","120","","2058.71","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Na3 Li (Mo O4)2 (H2 O)6","","- H12 Li Mo2 Na3 O14 -","- H12 Li Mo2 Na3 O14 -","- H72 Li6 Mo12 Na18 O84 -","6","0.333333","","Klevtsova, R.F.; Glinskaya, L.A.; Klevtsov, P.V.","Crystal structure of sodium lithium molybdate hexahydrate Na3 Li (Mo O4)2 (H2 O)6","Kristallografiya","1988","33","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539116","10.659","","10.659","","38.241","","90","","90","","120","","3762.64","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Rb5 (Li0.333 Hf1.667) (Mo O4)6","","- Hf1.667 Li0.333 Mo6 O24 Rb5 -","- Hf1.667 Li0.333 Mo6 O24 Rb5 -","- Hf10.002 Li1.998 Mo36 O144 Rb30 -","6","0.333333","","Solodovnikov, S.F.; Balsanova, N.V.; Bazarova, Zh.G.; Bazarov, B.G.; Zolotova, E.S.","Phase formation in the Rb2 Mo O4 - Li2 Mo O4 - Hf (Mo O4)2 system and the crystal structure of Rb5 (Li1/3 Hf5/3) (Mo O4)6","Zhurnal Neorganicheskoi Khimii","2003","48","","1197","1201","","","","","","","","","","","","","","","","","","","","","","has coordinates","167882","2020-10-21","18:00:00",""
"1539299","5.34139","","5.34139","","14.15807","","90","","90","","120","","349.819","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Mn4 (Nb2 O9)","","- Mn4 Nb2 O9 -","- Mn4.05 Nb1.95 O9 -","- Mn8.1 Nb3.9 O18 -","2","0.111111","","Tarakina, N.V.; Tyutyunnik, A.P.; Zubkov, V.G.; D'yachkova, T.V.; Zainulin, Yu.G.; Sayagues, M.; Swensson, G.","New phases in the Mn O - Nb (Ta)2 O5 system prepared by high-pressure high-temperature technique","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2003","44","","286","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","168152","2020-10-21","18:00:00",""
"1539925","10.8871","","10.8871","","37.935","","90","","90","","120","","3893.99","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca7.92 Cd0.79 Bi1.29 (V O4)7","","- Bi1.29 Ca7.92 Cd0.79 O28 V7 -","- Bi1.29 Ca7.92 Cd0.793 O28 V7 -","- Bi7.74 Ca47.52 Cd4.758 O168 V42 -","6","0.333333","","Vorontsova, O.L.; Lazoryak, B.I.; Malakho, A.P.; Morozov, V.A.; Stefanovich, S.Yu.","Ferroelectric and nonlinear properties of Ca9-x Cdx Bi (V O4)7 vanadates","Zhurnal Neorganicheskoi Khimii","2004","49","","1932","1942","","","","","","","","","","","","","","","","","","","","","","has coordinates","169012","2020-10-21","18:00:00",""
"1541158","9.223","","9.223","","19.941","","90","","90","","120","","1469","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ga2 (Se O3)3 (H2 O)3","","- Ga2 H6 O12 Se3 -","- Ga2 H6 O12 Se3 -","- Ga12 H36 O72 Se18 -","6","0.333333","","Rastsvetaeva, R.K.; Volodina, A.N.; Andrianov, V.I.","Crystal sructure of Ga2 (Se O3)3 (H2 O)3","Doklady Akademii Nauk SSSR","1986","291","","352","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541772","17.1253","","17.1253","","12.3033","","90","","90","","120","","3124.85","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(B (C H2 (Si Cl3)) N H)3","","- C3 H9 B3 Cl9 N3 Si3 -","- C3 H9 B3 Cl9 N3 Si3 -","- C18 H54 B18 Cl54 N18 Si18 -","6","0.333333","","Jaeschke, T.; Jansen, M.","Synthesis, crystal structure and spectroscopic characterization of the borazine derivatives (B (C H2 (Si Cl3)) N H)3 and (B (C H2 (Si Cl2 C H3)) N H)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","239","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","173249","2020-10-21","18:00:00",""
"1541773","17.138","","17.138","","12.587","","90","","90","","120","","3201.65","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(B (C H2 (Si Cl2 C H3)) N H)3","","- C6 H18 B3 Cl6 N3 Si3 -","- C6 H18 B3 Cl6 N3 Si3 -","- C36 H108 B18 Cl36 N18 Si18 -","6","0.333333","","Jaeschke, T.; Jansen, M.","Synthesis, crystal structure and spectroscopic characterization of the borazine derivatives (B (C H2 (Si Cl3)) N H)3 and (B (C H2 (Si Cl2 C H3)) N H)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","239","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","173251","2020-10-21","18:00:00",""
"1541936","5.14829","","5.14829","","13.8631","","90","","90","","120","","318.212","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Abrahams, S.C.; Hamilton, W.C.; Reddy, J.M.","Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24 C","Journal of Physics and Chemistry of Solids","1966","27","","1013","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541937","5.185","","5.185","","13.87","","90","","90","","120","","322.927","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Abrahams, S.C.; Reddy, J.M.; Levinstein, H.J.","Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study between 24 and 1200 C","Journal of Physics and Chemistry of Solids","1966","27","","1019","1026","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544665","5.1502","0.00006","5.1502","0.00006","13.8653","0.0004","90","","90","","120","","318.499","0.011","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","LiNbO3","","LiNbO3","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Ohgaki, M.; Tanaka, K.; Marumo, F.","LiNbO3, with anharmonic thermal vibration model","Mineralogical Journal","1992","16","","150","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","203907","2020-10-21","18:00:00",""
"1544717","5.15329","0.00007","5.15329","0.00007","13.7806","0.0005","90","","90","","120","","316.933","0.013","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","LiTaO3","","lithium tantalum trioxide","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","","Ohgaki, M.; Tanaka, K.; Marumo, F.","Anharmonic thermal vibration in a crystal of lithium(I) tantalum(V) trioxide, LiTaO3","Mineralogical Journal","1989","14","","373","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","203907","2020-10-21","18:00:00",""
"1545196","32.247","0.004","32.247","0.004","27.798","0.007","90","","90","","120","","25034","8","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C114 H198 N42 O69 Pt6 -","- C114 H120 N42 O69 Pt6 -","- C684 H720 N252 O414 Pt36 -","6","0.333333","","Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto","Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts","Nature Chemistry","2009","1","1","53","","10.1038/nchem.100","","","0.71073","MoKα","","0.0542","0.0419","","","0.1005","0.1079","","","","","","0.968","","","","has coordinates,has disorder","191210","2020-10-21","18:00:00",""
"1545918","5.49","","5.49","","13.387","","90","","90","","120","","349.429","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Bismuth Sodium Titanate","BNT","","- Bi0.5 Na0.5 O9 Ti -","- Bi0.5 Na0.5 O9 Ti -","- Bi3 Na3 O54 Ti6 -","6","0.333333","","Mahmood, Natheer B.; Al-Shakarchi, Emad K.","Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT","Journal of Modern Physics","2017","8","5","844","851","10.4236/jmp.2017.85053","","","","","","1","1","","","","","","","","","","","","","","has coordinates","201368","2020-10-21","18:00:00",""
"1546942","26.1798","0.0015","26.1798","0.0015","30.736","0.003","90","","90","","120","","18244","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C106.943 H73.411 F7.411 N12 O14.4717 Ru3 -","- C106.943 H73.4147 F7.41474 N12 O14.4716 Ru3 -","- C641.659 H440.488 F44.4884 N72 O86.8295 Ru18 -","6","0.333333","","Kunz, Valentin; Lindner, Joachim O.; Schulze, Marcus; Röhr, Merle I. S.; Schmidt, David; Mitrić, Roland; Würthner, Frank","Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles","Energy Environ. Sci.","2017","","","","","10.1039/C7EE01557G","","","0.71073","MoKα","","0.0446","0.0407","","","0.102","0.1041","","","","","","1.048","","","","has coordinates,has disorder","200165","2020-10-21","18:00:00",""
"1549450","19.835","0.0005","19.835","0.0005","29.0373","0.0008","90","","90","","120","","9893.5","0.4","173","","173","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H24 Co N7 O9 -","- C12 H24 Co N7 O9 -","- C216 H432 Co18 N126 O162 -","18","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0515","0.0495","","0.1408","0.1386","0.1408","","","","","","1.008","","","","has coordinates,has disorder","228643","2020-10-21","18:00:00",""
"1549668","33.739","0.003","33.739","0.003","26.116","0.005","90","","90","","120","","25746","6","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C64 H48 Br2 N2 Ni -","- C64 H48 Br2 N2 Ni -","- C1152 H864 Br36 N36 Ni18 -","18","1","","Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle","Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization","Polymer Chemistry","2018","9","30","4143","","10.1039/C8PY00725J","","","0.71073","MoKα","","0.1487","0.0711","","","0.1487","0.1702","","","","","","1.036","","","","has coordinates,has disorder","230967","2020-10-21","18:00:00",""
"1550650","23.5427","0.0014","23.5427","0.0014","6.9458","0.0008","90","","90","","120","","3334","0.5","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ge Na2 S4 Sr -","- Ge Na2 S4 Sr -","- Ge18 Na36 S72 Sr18 -","18","1","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0335","0.0318","","","0.0895","0.0901","","","","","","1.088","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1550652","23.838","0.004","23.838","0.004","7.115","0.002","90","","90","","120","","3501.4","1.3","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Na2 S4 Sn Sr -","- Na2 S4 Sn Sr -","- Na36 S72 Sn18 Sr18 -","18","1","","Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie","Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials","Chemical Science","2019","","","","","10.1039/C9SC00028C","","","0.71073","MoKα","","0.0363","0.0351","","","0.0948","0.0955","","","","","","1.101","","","","has coordinates","213840","2020-10-21","18:00:00",""
"1551290","24.782","0.007","24.782","0.007","14.217","0.005","90","","90","","120","","7562","4","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","FBpin?nPr2Im","","","- C15 H28 B F N2 O2 -","- C15 H28 B F N2 O2 -","- C270 H504 B18 F18 N36 O36 -","18","1","","Kuehn, Laura; Stang, Martin; Würtemberger-Pietsch, Sabrina; Friedrich, Alexandra; Schneider, Heidi; Radius, Udo; Marder, Todd B.","FBpin and its Adducts and their Role in Catalytic Borylations","Faraday Discussions","2019","","","","","10.1039/C9FD00053D","","","0.71073","MoKα","","0.037","0.0312","","","0.0712","0.0743","","","","","","1.048","","","","has coordinates","215773","2020-10-21","18:00:00",""
"1553545","33.922","0.006","33.922","0.006","11.008","0.002","90","","90","","120","","10970","3","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C450 H378 N18 O36 S18 -","18","1","","Gong, Xinxing; Li, Guangming; Wu, Jie","Synthesis of polycyclic sultams via a palladium-catalyzed reaction of 1-bromo-2-(cyclopropylidenemethyl)benzenes with 2-alkynylbenzenesulfonamides","Organic Chemistry Frontiers","2017","4","1","14","","10.1039/C6QO00480F","","","0.71073","MoKα","","0.0953","0.062","","","0.1336","0.1442","","","","","","0.925","","","","has coordinates","235118","2020-10-21","18:00:00",""
"1554645","26.477","0.007","26.477","0.007","12.475","0.003","90","","90","","120","","7574","3","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C324 H378 N18 O36 S18 -","18","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","","0.71073","MoKα","","0.1104","0.0531","","","0.1176","0.1427","","","","","","0.97","","","","has coordinates","238019","2020-10-21","18:00:00",""
"1554835","26.3163","0.0012","26.3163","0.0012","10.403","0.0005","90","","90","","120","","6239.3","0.5","123","2","123","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","(Z)-N'-mesitylpivalimidamide","","- C14 H22 N2 -","- C14 H22 N2 -","- C252 H396 N36 -","18","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.069","0.0638","","","0.1563","0.1614","","","","","","1.035","","","","has coordinates,has disorder","238143","2020-10-21","18:00:00",""
"1558736","17.244","0.0003","17.244","0.0003","33.5908","0.001","90","","90","","120","","8650.2","0.3","130","","130","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H66 B3 Fe3 P3 -","- C72 H66 B3 Fe3 P3 -","- C432 H396 B18 Fe18 P18 -","6","0.333333","","Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie","Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis","Chemical Science","2020","","","","","10.1039/D0SC03604H","","","0.71073","MoKα","","0.0518","0.0432","","","0.089","0.0931","","","","","","1.05","","","","has coordinates","254751","2020-10-21","18:00:00",""
"1559014","12.023","0.0013","12.023","0.0013","32.558","0.003","90","","90","","120","","4075.8","0.7","100","","100.07","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","hydrotris(3-phenyl-5-methylpyrazolyl)borate magnanese(II) choride","","- C30 H28 B Cl Mn N6 -","- C30 H28 B Cl Mn N6 -","- C180 H168 B6 Cl6 Mn6 N36 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.031","","","0.068","0.0718","","","","","","1.061","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559397","5.5043","0.0007","5.5043","0.0007","13.548","0.0001","90","","90","","120","","355.48","0.06","","","298","","","","100","","","","","5","R 3 c :H","R 3 -2""c","161","(Bi0.488Na0.512)(Ti0.975Nb0.025)O3","","","- Bi0.488 Na0.512 Nb0.025 O3 Ti0.975 -","- Bi0.469 Na0.508 Nb0.023 O2.97 Ti0.977 -","- Bi2.814 Na3.048 Nb0.138 O17.82 Ti5.862 -","6","0.333333","","Idemoto, Y.; Fujishiro, N.; Kitamura, N.","Ferroelectric and piezoelectric properties, and crystal structures of (Bi,Na)(Ti,M)O3 (M = Nb, Ta)","Journal of the Ceramic Society of Japan","2020","128","","766","771","10.2109/jcersj2.20060","","","","","","","","","","","","","","","","","","","","","has coordinates","258571","2020-10-23","02:46:47",""
"1562044","5.154","0.0004","5.154","0.0004","33.901","0.003","90","","90","","120","","779.89","0.11","295","2","295","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba Hf O6 -","- B2 Ba Hf O6 -","- B12 Ba6 Hf6 O36 -","6","0.333333","","Mączka, Mirosław; Szymborska-Małek, Katarzyna; Gągor, Anna; Majchrowski, Andrzej","Growth and characterization of acentric BaHf(BO3)2 and BaZr(BO3)2","Journal of Solid State Chemistry","2015","225","","330","334","10.1016/j.jssc.2015.01.008","","","0.71073","MoKα","","0.0214","0.0101","","","0.0169","0.0178","","","","","","0.869","","","","has coordinates","264468","2021-04-23","09:36:15",""
"1562697","21.649","0.011","21.649","0.011","17.193","0.011","90","","90","","120","","6978","7","571","2","571","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B9 Li O15 Pb -","- B9 Li O15 Pb -","- B216 Li24 O360 Pb24 -","24","1.33333","","Xia, M.J.; Li, R.K.","Crystal structure, growth and characterization of LiPbB9O15: A new congruent melting nonlinear optical crystal","Journal of Solid State Chemistry","2013","201","","288","292","10.1016/j.jssc.2013.03.001","","","0.71073","MoKα","","0.0452","0.0382","","","0.0721","0.0746","","","","","","1.113","","","","has coordinates","265357","2021-05-20","07:26:22",""
"1563181","18.1958","","18.1958","","22.2853","","90","","90","","120","","6389.86","","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- O48 S12 Yb8 -","- O12 S3 Yb2 -","- O288 S72 Yb48 -","24","1.33333","","Mills, Stuart J.; Petříček, Václav; Kampf, Anthony R.; Herbst-Imer, Regine; Raudsepp, Mati","The crystal structure of Yb2(SO4)3·3H2O and its decomposition product, β-Yb2(SO4)3","Journal of Solid State Chemistry","2011","184","9","2322","2328","10.1016/j.jssc.2011.06.018","","","0.71073","MoKα","","0.1483","0.0755","","","0.0776","0.0812","","","","2.77","2.77","2.15","","","","has coordinates","266211","2021-06-07","08:01:29",""
"1564215","38.463","0.0003","38.463","0.0003","10.2363","0.0001","90","","90","","120","","13114.8","0.19","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C29 H38 N2 O3 Sn -","- C29 H38 N2 O3 Sn -","- C522 H684 N36 O54 Sn18 -","18","1","","Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar","Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid","Inorganica Chimica Acta","2020","510","","119736","","10.1016/j.ica.2020.119736","","x-ray","0.71073","MoKα","","0.0131","0.013","","","0.0342","0.0343","","","","","","1.072","","","","has coordinates,has disorder","267641","2021-07-19","10:00:52",""
"1564235","19.2549","0.0007","19.2549","0.0007","74.3872","0.0014","90","","90","","120","","23884.2","1.3","100","2","100","2","","","","","","","","10","R 3 c :H","R 3 -2""c","161","","","","- C118 H168 Ag3 Au6 Cu3 F9 N6 O36 P6 S6 -","- C114 H131.999 Ag3 Au6 Cu3 F2.9997 N6 O16.9998 P6 S6 -","- C683.999 H791.996 Ag18 Au36 Cu18 F17.9982 N36 O101.999 P36 S36 -","6","0.333333","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","","0.4281","synchrotron","","0.0283","0.0267","","","0.0685","0.0695","","","","","","1.032","","","","has coordinates,has disorder","267708","2021-07-23","01:54:08",""
"1564588","15.7212","0.0007","15.7212","0.0007","59.122","0.003","90","","90","","120","","12654.7","1","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C72 H81 Cl3 F6 P4 S7 W3 -","- C72 H81 Cl3 F6 P4 S7 W3 -","- C432 H486 Cl18 F36 P24 S42 W18 -","6","0.333333","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem'ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Laricheva, Yuliya A.; Fomenko, Iakov S.; Piryazev, Dmitriy A.; Sheven, Dmitriy G.; Sokolov, Maxim N.","Trinuclear M3S4 cluster complexes with hemilabile phosphino-thioether ligands: Some experimental and theoretical aspects","Inorganica Chimica Acta","2020","508","","119645","","10.1016/j.ica.2020.119645","","","0.71073","MoKα","","0.0692","0.0557","","","0.1212","0.1263","","","","","","1.108","","","","has coordinates","269048","2021-09-08","08:31:57",""
"1565434","19.145","0.001","19.145","0.001","12.039","0.001","90","","90","","120","","3821.5","0.4","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C30 H27 Bi Fe3 -","- C30 H27 Bi Fe3 -","- C180 H162 Bi6 Fe18 -","6","0.333333","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.032","0.0274","","","0.0611","0.0626","","","","","","0.97","","","","has coordinates","270927","2021-11-30","09:01:31",""
"1566190","15.658","0.003","15.658","0.003","27.166","0.006","90","","90","","120","","5768","2","298","2","298","2","9130000","","","","","","","7","R 3 c :H","R 3 -2""c","161","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.62 Li9 Na1.25 O162 Si54 -","- Al18 Be18 Cs6.621 Li9 Na1.245 O162 Si54 -","- Al36 Be36 Cs13.242 Li18 Na2.49 O324 Si108 -","2","0.111111","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0575","0.0354","","","0.0906","0.1001","","","","","","1.073","","","","has coordinates","272352","2022-01-31","09:21:11",""
"1567344","41.303","0.004","41.303","0.004","32.517","0.004","90","","90","","120","","48040","9","173","","173","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C104 H120 Cl4 F2 N8 O2 S4 -","- C104 H120 Cl4 F2 N8 O2 S4 -","- C1872 H2160 Cl72 F36 N144 O36 S72 -","18","1","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","x-ray","1.34139","GaKα","","0.1728","0.0932","","","0.2468","0.3145","","","","","","0.93","","","","has coordinates","277666","2022-09-06","10:03:40",""
"1570110","20.1642","0.0004","20.1642","0.0004","100.293","0.003","90","","90","","120","","35315.3","1.4","273.15","","273.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C132 H218 Cu37 O53 P6 V12 -","- C132 H218 Cu37 O53 P6 V12 -","- C792 H1308 Cu222 O318 P36 V72 -","6","0.333333","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1191","0.0671","","","0.129","0.1449","","","","","","0.976","","","","has coordinates","288724","2024-01-06","07:15:53",""
"1570663","5.50285","","5.50285","","4.08619","","90","","90","","120","","107.158","","","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C2 O -","- C2 O -","- C36 O18 -","18","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1571775","24.062","0.009","24.062","0.009","31.259","0.008","90","","90","","120","","15674","9","293","2","293","","","","240000","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3773","0.121","","","0.3073","0.4585","","","","","","0.974","","","","has coordinates","292200","2024-06-05","02:20:34",""
"1571776","23.645","0.008","23.645","0.008","30.91","0.02","90","","90","","120","","14966","12","293","","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3771","0.1248","","","0.2723","0.4036","","","","","","0.952","","","","has coordinates","292200","2024-06-05","02:20:35",""
"1572295","18.2554","0.0005","18.2554","0.0005","11.4177","0.0003","90","","90","","120","","3295.28","0.15","180","2","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C126 H144 N6 O36 P18 -","6","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0243","0.0224","","","0.0602","0.061","","","","","","1.055","","","","has coordinates","293967","2024-08-06","01:50:24",""
"1572528","10.3375","0.0002","10.3375","0.0002","37.1443","0.0009","90","","90","","120","","3437.59","0.13","296","1","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- Ca26.83 Fe1.01 Mg3 Na0 Ni0 O84 P21 -","- Ca8.946 Fe0.338 Mg O28 P7 -","- Ca53.676 Fe2.028 Mg6 O168 P42 -","6","0.333333","","Galuskin, Evgeny V.; Galuskina, Irina O.; Kusz, Joachim; Książek, Maria; Vapnik, Yevgeny; Zieliński, Grzegorz","Karwowskiite, Ca9(Fe2+0.5□ 0.5)Mg(PO4)7—A New Merrillite Group Mineral from Paralava of the Hatrurim Complex, Daba-Siwaqa, Jordan","Minerals","2024","14","8","825","","10.3390/min14080825","","","1.54184","CuKα","","0.0217","0.0212","","","0.0535","0.054","","","","","","1.086","","","","has coordinates","294658","2024-09-06","19:50:20",""
"1573171","24.815","0.0006","24.815","0.0006","66.157","0.003","90","","90","","120","","35281","2","140","","140","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C144 H84 Cu16 F54 N12 P3 S25 -","- C144 H84 Cu16 F54 N12 P3 S25 -","- C864 H504 Cu96 F324 N72 P18 S150 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba Kumar","Analogues Copper Nanoclusters (Cu16/17) with Two Electron Superatomic and Mixed Valence Copper(II)/Copper(I) and Copper(I)/Copper(0) Characters†","Nanoscale","2024","","","","","10.1039/D4NR03578J","","","1.54178","CuKα","","0.1364","0.0687","","","0.1748","0.2248","","","","","","0.984","","","","has coordinates,has disorder","295924","2024-11-15","01:03:13",""
"1573173","24.8645","0.0011","24.8645","0.0011","66.598","0.006","90","","90","","120","","35658","4","150","2","150","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C163 H113 Cu17 F54 N13 O2 P3 S24 -","- C162.998 H112.997 Cu17 F54 N12.9999 O1.9998 P3 S24 -","- C977.989 H677.983 Cu102 F324 N77.9994 O11.9988 P18 S144 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba Kumar","Analogues Copper Nanoclusters (Cu16/17) with Two Electron Superatomic and Mixed Valence Copper(II)/Copper(I) and Copper(I)/Copper(0) Characters†","Nanoscale","2024","","","","","10.1039/D4NR03578J","","","0.71073","MoKα","","0.0767","0.0554","","","0.1437","0.1587","","","","","","1.103","","","","has coordinates,has disorder","295924","2024-11-15","01:03:26",""
"2000914","13.192","0.005","13.192","0.005","52.83","0.02","90","","90","","120","","7962","5","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C54 H81 Au Cl O4 P3 -","- C54 H81 Au Cl O4 P3 -","- C324 H486 Au6 Cl6 O24 P18 -","6","0.333333","ST0543","Muir, J. A.; Cuadrado, S. I.; Muir, M. M.","Structure of tris(dicyclohexylphenylphosphine)gold(I) perchlorate","Acta Crystallographica Section C","1992","48","5","915","917","10.1107/S0108270191011551","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203906","2020-10-21","18:00:00",""
"2001370","14.7507","0.0006","14.7507","0.0006","19.373","0.001","90","","90","","120","","3650.5","0.3","298","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","SH1023","Jarraya, S.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H.","Structure of [(C~2~H~5~)~2~NH~2~]~3~BiCl~6~","Acta Crystallographica Section C","1993","49","9","1594","1596","10.1107/S0108270193001283","","","0.70926","MoKα~1~","","","0.0177","","","0.0159","","","","","2.27","2.27","","","","","has coordinates","203907","2020-10-21","18:00:00",""
"2002132","11.004","0.003","11.004","0.003","39.256","0.031","90","","90","","120","","4116.6","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Strontium calcium chromium(V) oxide (18/3/14/56)","","- Ca3 Cr14 O56 Sr18 -","- Ca3 Cr14 O56 Sr18 -","- Ca9 Cr42 O168 Sr54 -","3","0.166667","","Cuno, E; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie der Erdalkalimetall-Oxochromate(V) :Sr3 (Cr O4)2 und Sr18 Ca3 Cr14 O56","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","572","","95","101","10.1002/zaac.19895720111","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002584","20.892","0.005","20.892","0.005","12.754","0.005","90","","90","","120","","4821","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Hexacopper(I) tetralanthanum nonakis(molybdate)","","- Cu6 La4 Mo9 O36 -","- Cu6 La4 Mo9 O36 -","- Cu36 La24 Mo54 O216 -","6","0.333333","","Krueger, T F; Mueller-Buschbaum, Hk","Zur Kenntnis von Cu6 La4 Mo9 O36","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","614","","35","37","10.1002/zaac.19926140808","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002673","5.3479","0.0013","5.3479","0.0013","34.48198","0.008","90","","90","","120","","854.1","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Tricopper magnesium antimony oxide (3/1/1.4/6)","","- Cu3 Mg O6 Sb1.4 -","- Cu3 Mg O6 Sb1.4 -","- Cu18 Mg6 O36 Sb8.4 -","6","0.333333","","Szillat, H; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur eines Oxoantimonats mit Verwandtschaft zum Delafossit-Typ: Cu3 Mg Sb1.4 O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","261","264","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002768","10.83","0.001","10.83","0.001","37.85999","0.001","90","","90","","120","","3845.6","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Potassium decacalcium heptavanadate","","- Ca10 K O28 V7 -","- Ca10 K O28 V7 -","- Ca60 K6 O168 V42 -","6","0.333333","","Mueller-Buschbaum, Hk; Schrandt, O","K+ auf einer mit Ca2+ unterbesetzten Punktlage in Ca3 (V O4)2: Ein Beitrag ueber K Ca10 V7 O28","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","473","476","","","","","","","0.1837","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003607","13.829","0.002","13.829","0.002","26.687","0.004","90","","90","","120","","4419.9","1.1","233","2","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C30 H39 O3 P S -","- C30 H39 O3 P S -","- C180 H234 O18 P6 S6 -","6","0.333333","SH1106","Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G.","Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS","Acta Crystallographica Section C","1995","51","6","1207","1209","10.1107/S0108270194013624","","","0.71069","MoKα","","","0.044","","","0.107","","","","","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004852","12.709","0.002","12.709","0.002","28.667","0.006","90","","90","","120","","4009.9","1.2","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tetramethylammonium trithiobenzoatotin(II)","","- C25 H27 N O3 S3 Sn -","- C25 H26.97 N O3 S3 Sn -","- C150 H161.82 N6 O18 S18 Sn6 -","6","0.333333","BM1045","Vittal, J. J.; Dean, P. A. W.","Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)tin(II)","Acta Crystallographica Section C","1996","52","5","1180","1182","10.1107/S0108270196000583","","","0.71073","MoKα","","0.0266","0.0251","","0.0635","0.0626","","","","1.056","1.07","1.07","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005930","21.421","0.002","21.421","0.002","15.063","0.002","90","","90","","120","","5985.8","1.1","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","Tris(1-ethyl-3,5-diaza-1-azonia-7-phosphatricyclodecane iodide)gold(I) Iodide Trihydrate","","- C24 H53 Au I4 N9 O3 P3 -","- C24 H57 Au I4 N9 O3 P3 -","- C144 H342 Au6 I24 N54 O18 P18 -","6","0.333333","FG1092","Forward, J. M.; Staples, R. J.; Liu, C. W.; Fackler, Jnr, J. P.","Luminescent Tris(3-ethyl-1,5-diaza-3-azonia-7-phosphatricyclo[3.3.1.1^3,7^]decane-<i>P</i>)gold(I) Tetraiodide Trihydrate, [(EtTPA)~3~Au]I~4~.3H~2~O","Acta Crystallographica Section C","1997","53","2","195","197","10.1107/S0108270196012486","","","0.71073","MoKα","","0.0348","0.0245","","0.0601","0.0565","","","","1.075","1.086","1.086","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"2008646","16.4555","0.0009","16.4555","0.0009","44.178","0.005","90","","90","","120","","10360","1.4","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","μ~3~-iodine-2:3:4κ^3^I-sulfido-1κS-tri-μ~3~-sulfido-1:2:3κ^3^S; 1:2:4κ^3^S;-1:3:4κ^3^S-tris(triphenylphosphine)-2κP;3κP;4κP","","- C72 H60 Ag3 I P4 S5 W -","- C72 H60 Ag3 I P4 S5 W -","- C432 H360 Ag18 I6 P24 S30 W6 -","6","0.333333","TA1221","Jin, Qiong-Hua; Xin, Xiu-Lan; Deng, Yu-Heng; Yu, Kai-Bei","μ~3~-Iodo-2:3:4κ^3^<i>I</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-trisilvertungsten‒triphenylphosphine sulfide (1/1)","Acta Crystallographica Section C","1999","55","6","860","863","10.1107/S0108270199002978","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.007","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010233","25.058","0.004","25.058","0.004","13.585","0.002","90","","90","","120","","7387","2","293","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8 H18 N4 O4 S2 Zn -","- C8 H18 N4 O4 S2 Zn -","- C144 H324 N72 O72 S36 Zn18 -","18","1","AB1149","Smolander, K.; Ahlgrèn, M.; Melník, M.; Skorsepa, J.; Györyovà, K.","Monomeric (dipropionato-<i>O</i>)(dithiourea-<i>S</i>)zinc(II)","Acta Crystallographica Section C","1994","50","12","1900","1902","10.1107/S0108270194004397","","","0.71073","MoKα","","","0.0292","","","0.0343","","","","","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012841","28.2157","0.0011","28.2157","0.0011","14.2592","0.0004","90","","90","","120","","9831.2","0.6","160","1","160","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxamide","","- C23 H29 N3 O4 -","- C23 H29 N3 O4 -","- C414 H522 N54 O72 -","18","1","SK1560","Linden, Anthony; Şafak, Cihat; Kismetlı, Emrah","<i>N</i>,<i>N</i>-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide","Acta Crystallographica Section C","2002","58","7","o436","o438","10.1107/S0108270102010314","","","0.71073","MoKα","","0.089","0.047","","","0.078","0.09","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2013676","8.364","0.006","8.364","0.006","12.286","0.01","90","","90","","120","","744.3","1","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","cadmium zinc borate","tricadmium trizinc tetraborate","","- B4 Cd3 O12 Zn3 -","- B4 Cd3 O12 Zn3 -","- B12 Cd9 O36 Zn9 -","3","0.166667","SK1661","Sun, Tongqing; Pan, Feng; Wang, Ruji; Shen, Guangqiu; Wang, Xiaoqing; Shen, Dezhong","A non-linear optical crystal, Cd~3~Zn~3~(BO~3~)~4~","Acta Crystallographica Section C","2003","59","11","i107","i108","10.1107/S0108270103020390","","","0.71073","MoKα","","0.06","0.052","","","0.113","0.121","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014283","20.449","0.002","20.449","0.002","9.75","0.001","90","","90","","120","","3530.9","0.6","150","2","150","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C162 H144 N36 -","18","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.028","0.028","","0.055","","0.056","","","1.082","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014306","10.3273","0.0003","10.3273","0.0003","37.098","0.002","90","","90","","120","","3426.5","0.2","173","","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Calcium sodium vanadate phosphate whitlockite","Calcium sodium vanadate phosphate","","- Ca8.42 Na1.16 O28 P7 V -","- Ca8.418 Na1.164 O28 P7 V -","- Ca50.508 Na6.984 O168 P42 V6 -","6","0.333333","BC1085","Alexander A. Tsirlin; Evgeniy V. Dikarev; Roman V. Shpanchenko; Evgeny V. Antipov","A new whitlockite, Ca~8.42~Na~1.16~V(PO~4~)~7~","Acta Crystallographica Section C","2006","62","2","i13","i15","10.1107/S0108270105039041","","","0.71069","MoKα","","0.016","0.016","","","0.0479","0.048","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015570","12.531","0.003","12.531","0.003","12.721","0.004","90","","90","","120","","1729.9","0.8","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0127","0.0125","","","0.0301","0.0302","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015571","12.53","0.003","12.53","0.003","12.657","0.004","90","","90","","120","","1720.9","0.8","163","2","163","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","meta-barium borate","","- B6 Ba3 O12 -","- B6 Ba3 O12 -","- B36 Ba18 O72 -","6","0.333333","IZ3008","Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang","Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K","Acta Crystallographica Section C","2006","62","9","i73","i75","10.1107/S010827010602542X","","","0.71073","MoKα","","0.0115","0.0114","","","0.0271","0.0271","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017596","14.71917","0.00018","14.71917","0.00018","18.9694","0.0003","90","","90","","120","","3559.19","0.08","85","0.1","85","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Tris(diethylammonium) hexachloridoantimonate(III)","","- C12 H36 Cl6 N3 Sb -","- C12 H36 Cl6 N3 Sb -","- C72 H216 Cl36 N18 Sb6 -","6","0.333333","EM3030","Bujak, Maciej","Octahedral distortion caused by hydrogen bonding in tris(diethylammonium) hexachloridoantimonate(III)","Acta Crystallographica Section C","2010","66","4","m101","m103","10.1107/S0108270110006074","","","0.71073","MoKα","","0.0095","0.0082","","","0.018","0.0296","","","","","","1.478","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018770","10.758","0.0001","10.758","0.0001","38.073","0.0003","90","","90","","120","","3816.02","0.06","183","2","183","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","decacalcium hexakis[chromate(V)] chromate(VI)","","- Ca10 Cr7 O28 -","- Ca10 Cr7 O28 -","- Ca60 Cr42 O168 -","6","0.333333","BI3051","Gyepesová, Dalma; Langer, Vratislav","Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning","Acta Crystallographica Section C","2013","69","2","111","113","10.1107/S0108270113000723","","","0.71073","MoKα","","0.0269","0.0239","","","0.0585","0.0602","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018879","8.6231","","8.6231","","21.05029","","90","","90","","120","","1355.55","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Fe3 (Cl B7 O13)","","- B7 Cl Fe3 O13 -","- B7 Cl Fe3 O13 -","- B42 Cl6 Fe18 O78 -","6","0.333333","","Yvon, K.; Mendoza-Alvarez, M.E.; Depmeier, W.; Schmid, H.","Structure refinement of trigonal iron-chlorine Boracite","Acta Crystallographica C (39,1983-)","1985","41","","1551","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2022452","29.3337","0.0013","29.3337","0.0013","7.3922","0.0006","90","","90","","120","","5508.6","0.6","297","2","297.15","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","1-Methyltryptammonium chloride","2-(1-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C198 H270 Cl18 N36 -","18","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0441","0.0376","","","0.0979","0.103","","","","","","1.033","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:14",""
"2100202","14.9372","0.0005","14.9372","0.0005","6.898","0.0002","90","","90","","120","","1332.88","0.07","278","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","caffeine","1,3,7-Trimethylpurine-2,6-dione","","- C8 H10 N4 O2 -","- C24 H30 N12 O6 -","- C144 H180 N72 O36 -","6","0.333333","LC5020","Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc","<i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction","Acta Crystallographica Section B","2005","61","3","329","334","10.1107/S010876810500546X","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","203178","2020-10-21","18:00:00",""
"2101175","5.1513","0.0008","5.1513","0.0008","13.8654","0.0008","90","","90","","120","","318.64","0.07","","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101176","5.2542","0.0006","5.2542","0.0006","13.8759","0.0006","90","","90","","120","","331.75","","","","1200","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101177","5.2718","0.0008","5.2718","0.0008","13.8604","0.0009","90","","90","","120","","333.6","","","","1350","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101181","5.2542","0.0006","5.2542","0.0006","13.8759","0.0006","90","","90","","120","","331.75","","","","1200","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101182","5.2719","0.0008","5.2719","0.0008","13.8601","0.0008","90","","90","","120","","333.6","","","","1350","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101720","14.924","","14.924","","41.145","","90","","90","","120","","7936.3","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C24 H33 Cl3 Ir P3 -","- C24 H33 Cl3 Ir P3 -","- C288 H396 Cl36 Ir12 P36 -","12","0.666667","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101728","12.522","","12.522","","13.833","","90","","90","","120","","1878.43","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H9 O3 P Se -","- C12 H9 O3 P Se -","- C72 H54 O18 P6 Se6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101737","15.348","","15.348","","40.703","","90","","90","","120","","8303.49","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C63 H45 Br3 Ni2 -","- C63 Br3 Ni2 -","- C378 Br18 Ni12 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101758","22.643","","22.643","","13.401","","90","","90","","120","","5950.26","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H67 N25 Si4 -","- C24 H48 N25 Si4 -","- C144 H288 N150 Si24 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101781","15.305","","15.305","","19.451","","90","","90","","120","","3945.84","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H45 N3 Si4 Ti -","- C15 N3 Si4 Ti -","- C90 N18 Si24 Ti6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101782","15.351","","15.351","","19.52","","90","","90","","120","","3983.67","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C15 H45 Ge N3 Si3 Ti -","- C15 Ge N3 Si3 Ti -","- C90 Ge6 N18 Si18 Ti6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101801","13.203","","13.203","","9.639","","90","","90","","120","","1455.15","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H9 As O6 -","- C6 H9 As O6 -","- C36 H54 As6 O36 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101845","5.148","0.003","5.148","0.003","13.863","0.003","90","0.01","90","0.01","120","0.013","318.2","0.3","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","lithium_niobate","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","AS0700","Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N.","Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~","Acta Crystallographica Section B","1997","53","3","420","428","10.1107/S010876819600777X","","","0.7","xray_wiggler","","0.015","0.015","","0.015","0.015","","","","3.276","3.276","3.276","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2101846","5.154","0.003","5.154","0.003","13.783","0.003","90","0.01","90","0.01","120","0.013","317.1","0.3","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","lithium_tantalate","","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","AS0700","Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N.","Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~","Acta Crystallographica Section B","1997","53","3","420","428","10.1107/S010876819600777X","","","0.7","xray_wiggler","","0.016","0.016","","0.022","0.022","","","","1.372","1.372","1.372","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101999","5.7827","0.0001","5.7827","0.0001","14.2702","0.0004","90","","90","","120","","413.259","0.015","10","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","lead hafnate titanate","","- Hf0.8 O3 Pb Ti0.2 -","- Hf0.8 O3 Pb Ti0.2 -","- Hf4.8 O18 Pb6 Ti1.2 -","6","0.333333","SH0134","Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin","Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K","Acta Crystallographica Section B","2000","56","1","27","38","10.1107/S0108768199011453","","neutron","1.2251","neutron","","","","","","","","","","2.02","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102000","5.7871","0.0001","5.7871","0.0001","14.2735","0.0004","90","","90","","120","","413.984","0.015","150","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","lead hafnate titanate","","- Hf0.8 O3 Pb Ti0.2 -","- Hf0.8 O3 Pb Ti0.2 -","- Hf4.8 O18 Pb6 Ti1.2 -","6","0.333333","SH0134","Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin","Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K","Acta Crystallographica Section B","2000","56","1","27","38","10.1107/S0108768199011453","","neutron","1.2251","neutron","","","","","","","","","","2","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102001","5.7943","0.0001","5.7943","0.0001","14.2742","0.0005","90","","90","","120","","415.035","0.018","290","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","lead hafnate titanate","","- Hf0.8 O3 Pb Ti0.2 -","- Hf0.8 O3 Pb Ti0.2 -","- Hf4.8 O18 Pb6 Ti1.2 -","6","0.333333","SH0134","Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin","Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K","Acta Crystallographica Section B","2000","56","1","27","38","10.1107/S0108768199011453","","neutron","1.2251","neutron","","","","","","","","","","2.28","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102002","5.8025","0.0002","5.8025","0.0002","14.2648","0.0004","90","","90","","120","","415.94","0.02","440","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","lead hafnate titanate","","- Hf0.8 O3 Pb Ti0.2 -","- Hf0.8 O3 Pb Ti0.2 -","- Hf4.8 O18 Pb6 Ti1.2 -","6","0.333333","SH0134","Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin","Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K","Acta Crystallographica Section B","2000","56","1","27","38","10.1107/S0108768199011453","","neutron","1.2251","neutron","","","","","","","","","","3","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102215","14.027","0.001","14.027","0.001","7.088","0.001","90","","90","","120","","1207.8","0.2","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C36 H54 N18 O18 -","6","0.333333","BK5003","Fridman, Natalya; Kapon, Moshe; Sheynin, Yana; Kaftory, Menahem","Different packing in three polymorphs of 2,4,6-trimethoxy-1,3,5-triazine","Acta Crystallographica Section B","2004","60","1","97","102","10.1107/S0108768103026284","","","0.71073","MoKα","","0.0379","0.032","","","0.0801","0.0818","","","","","","1.117","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102469","20.932","","20.932","","17.688","","90","","90","","120","","6711.67","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C22 H57 Cl4 Cu3 N9 O19 -","- C22 Cl4 Cu3 N9 O10 -","- C132 Cl24 Cu18 N54 O60 -","6","0.333333","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","203908","2020-10-21","18:00:00",""
"2102909","5.57882","0.00005","5.57882","0.00005","13.86932","0.00016","90","","90","","120","","373.827","0.006","298","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102910","5.58829","0.00005","5.58829","0.00005","13.904","0.00017","90","","90","","120","","376.035","0.007","473","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102911","5.58986","0.00005","5.58986","0.00005","13.90943","0.00017","90","","90","","120","","376.393","0.007","503","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102912","5.59227","0.00005","5.59227","0.00005","13.91782","0.00017","90","","90","","120","","376.945","0.007","543","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102913","5.59771","0.00006","5.59771","0.00006","13.93538","0.00018","90","","90","","120","","378.155","0.008","623","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102914","5.59922","0.00006","5.59922","0.00006","13.94046","0.00018","90","","90","","120","","378.497","0.008","643","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102915","5.60065","0.00006","5.60065","0.00006","13.94476","0.00018","90","","90","","120","","378.807","0.008","663","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102916","5.60456","0.00006","5.60456","0.00006","13.9557","0.00019","90","","90","","120","","379.634","0.008","723","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102917","5.61135","0.00006","5.61135","0.00006","13.9708","0.0002","90","","90","","120","","380.966","0.008","823","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102918","5.61853","0.00007","5.61853","0.00007","13.9824","0.0002","90","","90","","120","","382.259","0.009","923","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth ferrite","","- Bi Fe O3 -","- Bi Fe O3.00003 -","- Bi6 Fe6 O18.0002 -","6","0.333333","CK5024","Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan","Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study","Acta Crystallographica Section B","2007","63","4","537","544","10.1107/S0108768107023956","","neutron","1.5944","ConstantWavelengthNeutronDiffraction","","","","","","","","","","","","","","","","","has coordinates","199610","2020-10-21","18:00:00",""
"2102945","5.7779174","0.0000009","5.7779174","0.0000009","14.2692051","0.00000015","90","","90","","120","","412.547","0.009","300","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Lead Zirconium Titanium Oxide","Lead Zirconium Titanium Oxide","","- O3 Pb Ti0.35 Zr0.65 -","- O3 Pb Ti0.65 Zr0.35 -","- O18 Pb6 Ti3.9 Zr2.1 -","6","0.333333","KD5005","Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.","X-ray powder difraction structural characterization of Pb(1-x)Ba(x)Zr(0.65)Ti(0.35)O3 ceramic.","Acta Crystallographica, Section B","2007","63","5","713","718","10.1107/S0108768107022197","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102947","5.78826","0.00005","5.78826","0.00007","14.27227","0.00016","90","","90","","120","","414.114","0.008","300","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Lead Barium Zirconium Titanium Oxide","Lead Barium Zirconium Titanium Oxide","","- Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65 -","- Ba0.6 O18 Pb5.4 Ti2.1 Zr3.9 -","- Ba0.6 O18 Pb5.4 Ti2.1 Zr3.9 -","","","KD5005","Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.","X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic","Acta Crystallographica Section B","2007","63","5","713","718","10.1107/S0108768107022197","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102949","5.79776","0.00005","5.79776","0.00005","14.26758","0.00015","90","","90","","120","","415.338","0.007","300","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Lead Barium Zirconium Titanium Oxide","Lead Barium Zirconium Titanium Oxide","","- Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65 -","- Ba1.2 O18 Pb4.8 Ti2.1 Zr3.9 -","- Ba1.2 O18 Pb4.8 Ti2.1 Zr3.9 -","","","KD5005","Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.","X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic","Acta Crystallographica Section B","2007","63","5","713","718","10.1107/S0108768107022197","","","","X-ray","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103183","8.735","","8.732","","31.163","","90","","90.01","","119.99","","2058.69","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- H12 Li Mo3 Na3 O18 -","- Li Mo2 Na3 O14 -","- Li6 Mo12 Na18 O84 -","6","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103295","5.4887","0.0002","5.4887","0.0002","13.5048","0.0008","90","","90","","120","","352.34","0.03","","","273","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","sodium bismuth titanate","","- Bi0.5 Na0.5 O3 Ti -","- Bi0.5 Na0.5 O3 Ti -","- Bi3 Na3 O18 Ti6 -","6","0.333333","OS0082","Jones, G. O.; Thomas, P. A.","Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~","Acta Crystallographica Section B","2002","58","2","168","178","10.1107/S0108768101020845","","neutron","1.594","neutron","","","","","","","","","","0.323","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2104376","5.51848","0.00004","5.51848","0.00004","13.78476","0.00015","90","","90","","120","","363.554","0.005","","","50","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.96","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104377","5.51972","0.00005","5.51972","0.00005","13.7835","0.00016","90","","90","","120","","363.684","0.006","","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.87","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104378","5.52229","0.00005","5.52229","0.00005","13.78243","0.00016","90","","90","","120","","363.995","0.006","","","150","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.9","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104379","5.52539","0.00005","5.52539","0.00005","13.78058","0.00017","90","","90","","120","","364.354","0.006","","","200","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.9","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104380","5.52922","0.00005","5.52922","0.00005","13.77931","0.00017","90","","90","","120","","364.826","0.006","","","250","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.91","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104381","5.59214","0.00006","5.59214","0.00006","13.843","0.0002","90","","90","","120","","374.901","0.008","","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.65","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104382","5.59326","0.00006","5.59326","0.00006","13.8432","0.0002","90","","90","","120","","375.057","0.008","","","120","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.65","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104383","5.59447","0.00006","5.59447","0.00006","13.8429","0.0003","90","","90","","120","","375.211","0.01","","","140","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.67","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104384","5.59575","0.00006","5.59575","0.00006","13.8429","0.0003","90","","90","","120","","375.383","0.01","","","160","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.7","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104385","5.59717","0.0001","5.59717","0.0001","13.8423","0.0004","90","","90","","120","","375.557","0.014","","","180","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.3 Na0.7 Nb O3 -","- K0.3 Na0.7 Nb O3 -","- K1.8 Na4.2 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","2.05","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104387","5.5298","0.0003","5.5298","0.0003","13.7692","0.0011","90","","90","","120","","364.63","0.04","","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sodium Potassium Niobate","","- K0.05 Na0.95 Nb O3 -","- K0.05 Na0.95 Nb O3 -","- K0.3 Na5.7 Nb6 O18 -","6","0.333333","WF5039","Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.","Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)","Acta Crystallographica Section B","2009","65","3","291","299","10.1107/S0108768109011057","powder diffraction","neutron","1.6","Neutron","","","","","","","","","","1.73","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105349","5.16","","5.16","","16.58","","90","","90","","120","","382.309","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ag (N O3)","","- Ag N O3 -","- Ag N O3 -","- Ag6 N6 O18 -","6","0.333333","","Chevalier, R.; Meyer, P.; Rimsky, A.","Structure d une phase du nitrate d argent instable a temperature et pression ordinaires","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1143","1146","10.1107/S0567740876004846","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106319","5.8412","","5.8412","","14.4122","","90","","90","","120","","425.858","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Pb Zr0.9 Ti0.1 O3","","- O3 Pb Ti0.1 Zr0.9 -","- O3 Pb Ti0.1 Zr0.9 -","- O18 Pb6 Ti0.6 Zr5.4 -","6","0.333333","","Glazer, A.M.; Mabud, S.A.; Clarke, R.","Powder profile refinement of lead zirconate titanate at several temperatures. I. Pb Zr0.9 Ti0.1 O3","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1060","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107260","8.508","","8.508","","16.337","","90","","90","","120","","1024.14","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","(N D4) F","","- D4 F N -","- D4 F N -","- D96 F24 N24 -","24","1.33333","","Lawson, A.C.jr.; Roof, R.B.jr.; Morosin, B.; Jorgensen, J.D.; Schirber, J.E.","Structure of N D4 F - II","Acta Crystallographica B (39,1983-)","1989","45","","212","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2202288","19.2856","0.0001","19.2856","","7.98049","0.00003","90","","90","","120","","2570.55","0.016","293","1","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Ge3 Pr4 S12 -","- Ge3 Pr4 S12 -","- Ge18 Pr24 S72 -","6","0.333333","BR6102","Helmholdt, Robert B.; Goubitz, Kees; Sonneveld, Ed J.; Schenk, Henk","Pr~4~Ge~3~S~12~: structure determination from high-resolution powder diffraction data","Acta Crystallographica Section E","2003","59","8","i119","i121","10.1107/S1600536803015162","","","0.65296","synchrotron","","","","","","","","","","","","","3.5","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2202597","12.6892","0.0009","12.6892","0.0009","13.3798","0.0019","90","","90","","120","","1865.7","0.3","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","1,3,5-Trimethoxybenzene chromium tricarbonyl","Tricarbonyl(η^6^-1,3,5-trimethoxybenzene)chromium(0)","","- C12 H12 Cr O6 -","- C12 H12 Cr O6 -","- C72 H72 Cr6 O36 -","6","0.333333","CV6248","Zeller, Matthias; Hunter, Allen D.","Tricarbonyl(η^6^-1,3,5-trimethoxybenzene)chromium(0)","Acta Crystallographica Section E","2003","59","11","m1078","m1079","10.1107/S1600536803024292","","","0.71073","MoKα","","0.0256","0.0255","","","0.0688","0.0688","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204244","9.7342","0.0005","9.7342","0.0005","24.4754","0.0014","90","","90","","120","","2008.45","0.19","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Potassium tetratin(II) tris(orthophosphate)","Potassium tetratin(II) tris(orthophosphate)","","- K O12 P3 Sn4 -","- K O12 P3 Sn4 -","- K6 O72 P18 Sn24 -","6","0.333333","WM6028","Deng, Jin-Feng; Kang, You-Jun; Mi, Jin-Xiao; Li, Man-Rong; Zhao, Jing-Tai; Mao, Shao-Yu","KSn~4~(PO~4~)~3~","Acta Crystallographica Section E","2004","60","9","i116","i117","10.1107/S160053680401966X","","","0.71073","MoKα","","0.0172","0.0168","","","0.0404","0.0406","","","","","","1.246","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208108","12.7911","0.0009","12.7911","0.0009","26.403","0.004","90","","90","","120","","3741.1","0.7","292","2","292","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate","","- C25 H21 Cl3 N3 O4 -","- C25 H21 Cl3 N3 O4 -","- C150 H126 Cl18 N18 O24 -","6","0.333333","KP6070","Yan-Ping Luo; Hong-Bin Zhou","1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate","Acta Crystallographica Section E","2006","62","2","o538","o539","10.1107/S1600536806000365","","","0.71073","MoKα","","0.0608","0.0491","","","0.1076","0.1124","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2211539","21.112","0.003","21.112","0.003","13.953","0.003","90","","90","","120","","5385.9","1.6","295","2","295","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","poly[[(pyridine-κN)cadmium(II)]-μ~3~-imidazole-4,5-dicarboxylato- κ^6^N,O:N',O':O',O'']","","- C10 H7 Cd N3 O4 -","- C10 H7 Cd N3 O4 -","- C180 H126 Cd18 N54 O72 -","18","1","NG2143","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","A three-dimensional porous cadmium(II) coordination polymer: poly[[(pyridine-κ<i>N</i>)cadmium(II)]-μ~3~-imidazole-4,5-dicarboxylato-κ^6^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2006","62","12","m3233","m3235","10.1107/S1600536806045569","","","0.71073","MoKα","","0.0158","0.015","","","0.039","0.0393","","","","","","1.027","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211651","10.463","0.0004","10.463","0.0004","37.241","0.001","90","","90","","120","","3530.7","0.2","295","2","295","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","decacalcium potassium heptakis(orthophosphate)","decacalcium potassium heptakis(orthophosphate)","","- Ca10 K O28 P7 -","- Ca10 K O28 P7 -","- Ca60 K6 O168 P42 -","6","0.333333","WM2060","Malin Hannah Sandström; Dan Boström","Ca~10~K(PO~4~)~7~ from single-crystal data","Acta Crystallographica Section E","2006","62","12","i253","i255","10.1107/S1600536806047003","","","0.71073","MoKα","","0.027","0.0262","","","0.0636","0.0642","","","","","","1.085","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2212943","13.051","0.0014","13.051","0.0014","25.047","0.005","90","","90","","120","","3694.7","0.9","150","","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(Acetonitrile){hydridotris[3,5-bis(trifluoromethyl)-1- pyrazolyl]borato}copper(I)","","- C17 H6.97 B Cu F18 N7 -","- C17 H6.97 B Cu F18 N7 -","- C102 H41.82 B6 Cu6 F108 N42 -","6","0.333333","KP2089","Marielle Nicole C. Balili; Tomislav Pintauer","(Acetonitrile){hydridotris[3,5-bis(trifluoromethyl)-1-pyrazolyl]borato}copper(I)","Acta Crystallographica Section E","2007","63","4","m988","m990","10.1107/S1600536807009762","","","0.71073","MoKα","","0.0305","0.0265","","","0.0702","0.0718","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215652","10.158","0.005","10.158","0.005","28.747","0.005","90","","90","","120","","2568.9","1.8","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","1-Hydroxycyclobutane-1-carboxylic acid","1-Hydroxycyclobutane-1-carboxylic acid","","- C5 H8 O3 -","- C5 H8 O3 -","- C90 H144 O54 -","18","1","SI2033","Betz, Richard; Klüfers, Peter","1-Hydroxycyclobutane-1-carboxylic acid","Acta Crystallographica Section E","2007","63","10","o4032","o4032","10.1107/S1600536807043747","","","0.71073","MoKα","","0.0311","0.0293","","","0.0776","0.0794","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215668","16.9804","0.0006","16.9804","0.0006","17.4605","0.0011","90","","90","","120","","4360","0.4","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","tris(<i>tert</i>-butylisonitrile)hexacarbonyl-μ~3~-ethylidyne- triangulo-tricobalt(I)(3 Co—Co)","","- C23 H30 Co3 N3 O6 -","- C23 H29.997 Co3 N3 O6 -","- C138 H179.982 Co18 N18 O36 -","6","0.333333","SJ2355","Brown, Jolene M.; Nicholson, Brian K.","Tris(<i>tert</i>-butylisonitrile)hexacarbonyl-μ~3~-ethylidyne-<i>triangulo</i>-tricobalt(I)(3 <i>Co{—</i>Co})","Acta Crystallographica Section E","2007","63","10","m2542","m2542","10.1107/S1600536807044261","","","0.71073","MoKα","","0.0322","0.0247","","","0.0561","0.0592","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215686","10.3272","0.0005","10.3272","0.0005","37.132","0.002","90","","90","","120","","3429.6","0.3","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Nonacalcium chromium(III) heptakis(orthophosphate)","","- Ca9 Cr O28 P7 -","- Ca9 Cr O28 P7 -","- Ca54 Cr6 O168 P42 -","6","0.333333","WM2144","Zatovsky, Igor V.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Shishkin, Oleg V.; Slobodyanik, Nikolay S.","The whitlockite-related phosphate Ca~9~Cr(PO~4~)~7~","Acta Crystallographica Section E","2007","63","10","i180","i181","10.1107/S1600536807044765","","","0.71073","MoKα","","","0.0297","","","","0.0734","","","","","","1.104","","","","has coordinates,has Fobs","282542","2023-04-10","17:14:06",""
"2216661","9.5404","0.0013","9.5404","0.0013","20.3472","0.0019","90","","90","","120","","1603.9","0.3","295","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","digallium(III) tris[tellurate(IV)] trihydrate","","- Ga2 H6 O12 Te3 -","- Ga2 H6 O12 Te3 -","- Ga12 H36 O72 Te18 -","6","0.333333","MG2042","Weil, Matthias; Stöger, Berthold","Ga~2~(TeO~3~)~3~(H~2~O)~3~","Acta Crystallographica Section E","2007","63","12","i202","i202","10.1107/S1600536807060011","","","0.71073","MoKα","","0.02","0.0199","","","0.04","0.04","","","","","","1.159","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217763","9.377","0.008","9.377","0.008","23.48","0.03","90","","90","","120","","1788","3","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","sodium tetragermanium tris(phosphate)","","- Ge4 Na O12 P3 -","- Ge4 Na O12 P3 -","- Ge24 Na6 O72 P18 -","6","0.333333","FI2055","Lee, Chi-Shen; Weng, Sheng-Feng","A quaternary germanium(II) phosphate, Na[Ge~4~(PO~4~)~3~]","Acta Crystallographica Section E","2008","64","3","i17","","10.1107/S1600536808003231","","","0.71073","MoKα","","0.0638","0.058","","","0.1301","0.1328","","","","","","1.087","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223241","28.3787","0.0011","28.3787","0.0011","8.5236","0.0004","90","","90","","120","","5944.8","0.4","294","1","294","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Memantinium chloride 0.1-hydrate","(3,5-dimethyl-1-adamantyl)ammonium chloride 0.1-hydrate","","- C12 H22.2 Cl N O0.1 -","- C12 H22.2 Cl N O0.1 -","- C216 H399.6 Cl18 N18 O1.8 -","18","1","XU2585","Lou, Wei-Jian; Hu, Xiu-Rong; Gu, Jian-Ming","Memantinium chloride 0.1-hydrate","Acta Crystallographica Section E","2009","65","9","o2191","","10.1107/S1600536809031791","","","0.71073","MoKα","","0.0862","0.0338","","","0.0698","0.1044","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223616","8.6081","0.0001","8.6081","0.0001","21.0703","0.0003","90","","90","","120","","1352.12","0.03","300","","300","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","boracite","iron zinc borate bromide","","- B7 Br Fe1.59 O13 Zn1.41 -","- B7 Br Fe1.59 O13 Zn1.41 -","- B42 Br6 Fe9.54 O78 Zn8.46 -","6","0.333333","BR2119","Ulloa-Godínez, Sandra; Rosales, Ivonne; Bucio, Lauro; Farías, Mario H.; Campa-Molina, Jorge","Rietveld refinement of the mixed boracite Fe~1.59~Zn~1.41~B~7~O~13~Br","Acta Crystallographica Section E","2009","65","11","i83","i84","10.1107/S1600536809044407","powder diffraction","","1.54175","CuKα","","","","","","","","","","1.89","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2225073","10.1478","0.0018","10.1478","","37.42","0.013","90","","90","","120","","3337.2","1.3","294","2","294","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Poly[[tris(μ~3~-2-oxidopyridinium-3-carboxylato)manganese(II)sodium(I)] monohydrate]","","- C18 H14 Mn N3 Na O10 -","- C18 H14.0001 Mn N3 Na O10 -","- C108 H84.0006 Mn6 N18 Na6 O60 -","6","0.333333","NG2724","Zhang, Bing-Yu; Nie, Jing-Jing; Xu, Duan-Jun","Poly[[tris(μ~3~-2-oxidopyridinium-3-carboxylato)manganese(II)sodium(I)] monohydrate]","Acta Crystallographica Section E","2010","66","2","m213","m214","10.1107/S1600536810002953","","","0.71073","MoKα","","0.0342","0.0326","","","0.0982","0.0994","","","","","","1.158","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225745","22.8234","0.0009","22.8234","0.0009","36.9342","0.0015","90","","90","","120","","16661.7","1.1","150","1","150","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","o-6-picoline derivative","2-Ferrocenyl-<i>N</i>-(6-methyl-2-pyridyl)benzamide","","- C23 H20 Fe N2 O -","- C23 H20 Fe N2 O -","- C828 H720 Fe36 N72 O36 -","36","2","TK2637","Gallagher, John F.; Alley, Steven; Lough, Alan J.","2-Ferrocenyl-<i>N</i>-(6-methyl-2-pyridyl)benzamide","Acta Crystallographica Section E","2010","66","4","m396","","10.1107/S1600536810008342","","","0.71073","MolybdenumKα","","0.0812","0.0471","","","0.0855","0.0987","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226013","10.44282","0.00001","10.44282","0.00001","37.29443","0.00003","90","","90","","120","","3522.17","0.006","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","potassium decacalcium iron heptaphosphate","","- Ca9.8 Fe0.2 K0.8 O28 P7 -","- Ca9.8 Fe0.2 K0.8 O28 P7 -","- Ca58.8 Fe1.2 K4.8 O168 P42 -","6","0.333333","WM2324","Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Strutynska, Nataliya Yu.; Slobodyanik, Nikolay S.; Sharkina, Nataliya O.","Rietveld refinement of whitlockite-related K~0.8~Ca~9.8~Fe~0.2~(PO~4~)~7~","Acta Crystallographica Section E","2010","66","5","i41","i42","10.1107/S1600536810014327","powder diffraction","","1.54187","CuKα","","2.48","","","","","","","","2.317","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2234936","26.206","0.001","26.206","0.001","7.441","0.002","90","","90","","120","","4425.5","1.2","295","2","295","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","2,3-Dihydropyrrolo[2,1-<i>b</i>]quinazoline-9(1<i>H</i>)-thione","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C198 H180 N36 S18 -","18","1","BT5913","Nasrullayev, Azizbek O.; Elmuradov, Burkhon Zh.; Turgunov, Kambarali K.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M.","2,3-Dihydropyrrolo[2,1-<i>b</i>]quinazoline-9(1<i>H</i>)-thione","Acta Crystallographica Section E","2012","68","6","o1746","","10.1107/S1600536812021228","","","1.54184","CuKα","","0.0316","0.0292","","","0.0764","0.0778","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235182","12.6549","0.0018","12.6549","0.0018","43.616","0.009","90","","90","","120","","6049.1","1.7","200","2","200","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate","","- C18 H59 Cl8 N9 O9 S -","- C18 H54 Cl8 N9 O8.996 S -","- C108 H324 Cl48 N54 O53.976 S6 -","6","0.333333","NK2161","Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar","Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate","Acta Crystallographica Section E","2012","68","6","o1899","o1900","10.1107/S1600536812022374","","","0.71073","MoKα","","0.0378","0.0367","","","0.1008","0.1014","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238071","10.43723","0.00005","10.43723","0.00005","37.3379","0.0007","90","","90","","120","","3522.5","0.07","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Silver(I) decacalcium heptakis(orthophosphate)","","- Ag Ca10 O28 P7 -","- Ag Ca10 O28 P7 -","- Ag6 Ca60 O168 P42 -","6","0.333333","WM2726","Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","Rietveld refinement of AgCa~10~(PO~4~)~7~ from X-ray powder data","Acta Crystallographica Section E","2013","69","5","i23","","10.1107/S1600536813007848","powder diffraction","","1.54187","CuKα","","0.038","","","","","","","","2.97","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239070","13.2008","0.0014","13.2008","0.0014","26.695","0.003","90","","90","","120","","4028.7","0.8","200","2","200","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione","","- C24 H21 N3 O6 -","- C24 H21 N3 O6 -","- C144 H126 N18 O36 -","6","0.333333","","Fang, Li; Li, Feifei; Luo, Xuemei","1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione","Acta Crystallographica Section E","2014","70","2","o118","","10.1107/S160053681303482X","","","0.71073","MoKα","","0.0601","0.0439","","","0.1145","0.1219","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240504","16.9383","0.0012","16.9383","0.0012","17.6259","0.0013","90","","90","","120","","4379.5","0.5","133","2","133.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","<i>fac</i>-Triaquatris(thiocyanato-κ<i>N</i>)iron(III)‒2,3-dimethylpyrazine (1/3)","","- C21 H30 Fe N9 O3 S3 -","- C21 H30 Fe N9 O3 S3 -","- C126 H180 Fe6 N54 O18 S18 -","6","0.333333","XU5840","Kucheriv, Olesia I.; Shylin, Sergii I.; Ilina, Tetiana A.; Dechert, Sebastian; Gural'skiy, Il'ya A.","Crystal structure of the co-crystal <i>fac</i>-triaquatris(thiocyanato-κ<i>N</i>)iron(III)‒2,3-dimethylpyrazine (1/3)","Acta Crystallographica Section E","2015","71","4","374","376","10.1107/S2056989015004831","","","0.71073","MoKα","","0.0449","0.0376","","","0.0683","0.0701","","","","","","1.067","","","","has coordinates","203907","2020-10-21","18:00:00",""
"2241098","16.0535","0.0014","16.0535","0.0014","61.79","0.012","90","","90","","120","","13791","3","130","2","130","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tris(1,3-dimesityl-4,5-dihydro-1<i>H</i>-imidazol-3-ium) tetrabromidocobaltate(II) bromide chloroform hexasolvate","","- C69 H87 Br5 Cl18 Co N6 -","- C69 H87 Br5 Cl18 Co N6 -","- C414 H522 Br30 Cl108 Co6 N36 -","6","0.333333","NR2061","Rais, Eduard; Flörke, Ulrich; Wilhelm, René","Crystal structure of tris(1,3-dimesityl-4,5-dihydro-1<i>H</i>-imidazol-3-ium) tetrabromidocobaltate(II) bromide chloroform hexasolvate","Acta Crystallographica Section E","2015","71","10","m177","m178","10.1107/S2056989015016254","","","0.71073","MoKα","","0.0723","0.0399","","","0.0714","0.0775","","","","","","0.789","","","","has coordinates,has Fobs","158352","2020-10-21","18:00:00",""
"2241193","10.7072","0.0009","10.7072","0.0009","11.0283","0.0013","90","","90","","120","","1094.94","0.18","170","2","170","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Tris(hydroxylammonium) orthophosphate","","- H12 N3 O7 P -","- H12 N3 O7 P -","- H72 N18 O42 P6 -","6","0.333333","WM5223","Leinemann, Malte; Jess, Inke; Boeckmann, Jan; Näther, Christian","Crystal structure of tris(hydroxylammonium) orthophosphate","Acta Crystallographica Section E","2015","71","11","i10","i11","10.1107/S2056989015018642","","","0.71073","MoKα","","0.036","0.0341","","","0.0885","0.0895","","","","","","1.091","","","","has coordinates,has Fobs","164400","2020-10-21","18:00:00",""
"2243890","8.3876","0.0013","8.3876","0.0013","30.048","0.007","90","","90","","120","","1830.7","0.6","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Sodium lithium sulfate hexahydrate","Lithium trisodium bis(sulfate) hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0131","0.0131","","","0.036","0.036","","","","","","1.144","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:52",""
"2243891","8.4006","0.0019","8.4006","0.0019","30.111","0.009","90","","90","","120","","1840.2","0.8","180","","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sodium-Lithium-Sulfate-Hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0214","0.0214","","","0.0534","0.0534","","","","","","1.176","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2243892","8.426","0.002","8.426","0.002","30.197","0.004","90","","90","","120","","1856.7","0.7","260","2","260","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sodium-Lithium-Sulfate-Hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0174","0.0168","","","0.042","0.0426","","","","","","1.132","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2243893","8.4337","0.0017","8.4337","0.0017","30.235","0.006","90","","90","","120","","1862.4","0.6","273","2","273","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sodium-Lithium-Sulfate-Hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0198","0.0188","","","0.046","0.0528","","","","","","1.277","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2243894","8.457","0.007","8.457","0.007","30.33","0.03","90","","90","","120","","1879","3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.04","0.0378","","","0.0996","0.1052","","","","","","1.113","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2300118","23.14422","0.00016","23.14422","0.00016","7.22333","0.00005","90","","90","","120","","3350.84","0.04","","","295","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Chlorartinite","Magnesium chloride aqua carbonete hydrate","","- C H5 Cl Mg2 O6 -","- C Cl Mg2 O7 -","- C18 Cl18 Mg36 O126 -","18","1","DB5003","Sugimoto, Kunihisa; Dinnebier, Robert E.; Schlecht, Thomas","Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed","Journal of Applied Crystallography","2006","39","5","739","744","10.1107/S0021889806032109","","","0.64889","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300665","5.1505","0.0001","5.1505","0.0001","13.8742","0.0005","90","","90","","120","","318.741","0.014","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0182","0.0163","","","0.0204","0.0207","","","","1.62","1.62","1.54","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300666","5.1513","0.0001","5.1513","0.0001","13.8687","0.0006","90","","90","","120","","318.713","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0294","0.0287","","","0.0382","0.0383","","","","3.18","3.18","3.09","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2300667","5.1516","0.0001","5.1516","0.0001","13.869","0.0006","90","","90","","120","","318.757","0.016","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C.","X-ray diffraction using focused-ion-beam-prepared single crystals","Journal of Applied Crystallography","2020","53","3","614","","10.1107/S1600576720003143","","x-ray","0.71076","MoKα","","0.0163","0.0152","","","0.0207","0.0209","","","","1.69","1.69","1.65","","","","has coordinates","253565","2020-10-21","18:00:00",""
"2311013","10.2","","10.2","","13.5","","90","","90","","120","","1216.37","","","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","P2 O5","","- O5 P2 -","- O5 P2 -","- O60 P24 -","12","0.666667","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N. V. P4 O10","Acta Crystallographica (1,1948-23,1967)","1964","17","","677","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","168926","2020-10-21","18:00:00",""
"2311704","5.146","0.001","5.146","0.001","13.859","0.005","90","","90","","120","","317.84","0.14","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","lithium niobate","lithium niobate","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","BP5094","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0211","0.021","","","0.0482","0.0483","","","","","","1.144","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311705","5.145","0.001","5.145","0.001","13.841","0.005","90","","90","","120","","317.3","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.7 O3 Ta0.3 -","- Li Nb0.7 O3 Ta0.3 -","- Li6 Nb4.2 O18 Ta1.8 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0247","0.0246","","","0.0607","0.0609","","","","","","1.214","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311706","5.147","0.001","5.147","0.001","13.834","0.005","90","","90","","120","","317.39","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.47 O3 Ta0.53 -","- Li Nb0.47 O3 Ta0.53 -","- Li6 Nb2.82 O18 Ta3.18 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0235","0.0235","","","0.0618","0.0618","","","","","","1.158","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311707","5.147","0.001","5.147","0.001","13.798","0.005","90","","90","","120","","316.56","0.14","294","2","294","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.4 O3 Ta0.6 -","- Li Nb0.4 O3 Ta0.6 -","- Li6 Nb2.4 O18 Ta3.6 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0145","0.0144","","","0.036","0.0362","","","","","","1.18","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311708","5.149","0.001","5.149","0.001","13.786","0.005","90","","90","","120","","316.53","0.14","294","1","294","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.36 O3 Ta0.64 -","- Li Nb0.36 O3 Ta0.64 -","- Li6 Nb2.16 O18 Ta3.84 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0161","0.0155","","","0.0411","0.0416","","","","","","1.22","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311709","5.151","0.001","5.151","0.001","13.776","0.005","90","","90","","120","","316.55","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.11 O3 Ta0.89 -","- Li Nb0.11 O3 Ta0.89 -","- Li6 Nb0.66 O18 Ta5.34 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.017","0.0169","","","0.0423","0.0424","","","","","","1.226","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311710","5.149","0.001","5.149","0.001","13.781","0.005","90","","90","","120","","316.42","0.14","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","lithium niobate tantalate","lithium niobate tantalate","","- Li Nb0.08 O3 Ta0.92 -","- Li Nb0.08 O3 Ta0.92 -","- Li6 Nb0.48 O18 Ta5.52 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0194","0.019","","","0.0473","0.0481","","","","","","1.147","","","","has coordinates","246091","2020-10-21","18:00:00",""
"2311711","5.148","0.001","5.148","0.001","13.767","0.005","90","","90","","120","","315.97","0.14","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Lithium tantalate","Lithium tantalate","","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","","Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.","Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 3","498","506","10.1107/S2052520617004711","","","0.71073","MoKα","","0.0166","0.0165","","","0.0437","0.044","","","","","","1.248","","","","has coordinates","246091","2020-10-21","18:00:00",""
"3000098","12.5269","","12.5269","","12.7181","","90","","90","","120","","1728.38","","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0366","0.0311","","","0.0341","0.0352","","","","1.22","1.22","1.17","","","","has coordinates","265307","2021-05-18","16:36:57",""
"3000099","12.5517","0.0019","12.5517","0.0019","12.985","0.003","90","","90","","120","","1771.6","0.6","693","","693","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","3","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000100","12.5806","0.0014","12.5806","0.0014","12.7947","0.0018","90","","90","","120","","1753.7","0.4","323","","323","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0296","0.0293","","","0.0382","0.0383","","","","3.3","3.3","3.28","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000101","12.5685","0.0014","12.5685","0.0014","12.7714","0.0018","90","","90","","120","","1747.2","0.4","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0244","0.0242","","","0.0304","0.0305","","","","2.67","2.67","2.66","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000102","12.582","0.0015","12.582","0.0015","12.7519","0.0019","90","","90","","120","","1748.3","0.4","223","","223","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.024","0.0237","","","0.0294","0.0295","","","","2.55","2.55","2.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000103","12.5828","0.0015","12.5828","0.0015","12.7291","0.0018","90","","90","","120","","1745.4","0.4","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0294","0.0293","","","0.0392","0.0392","","","","3.5","3.5","3.49","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000104","12.5868","0.0018","12.5868","0.0018","12.709","0.002","90","","90","","120","","1743.7","0.4","123","","123","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0246","0.0245","","","0.0315","0.0315","","","","2.84","2.84","2.84","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000105","12.5761","0.0003","12.5761","0.0003","12.6453","0.0009","90","","90","","120","","1732.02","0.14","98","","98","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0342","0.0341","","","0.0449","0.0449","","","","4","4","4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"4000210","8.405","0.001","8.405","0.001","20.771","0.004","90","","90","","120","","1270.8","0.3","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B6 Gd H3 O12 -","- B6 Gd O12 -","- B36 Gd6 O72 -","6","0.333333","","Li, Linyan; Lu, Peichao; Wang, Yaoyang; Jin, Xianglin; Li, Guobao; Wang, Yingxia; You, Liping; Lin, Jianhua","Synthesis of Rare Earth Polyborates Using Molten Boric Acid as a Flux","Chemistry of Materials","2002","14","12","4963","4968","10.1021/cm0203870","","","0.71073","MoKα","","0.0272","0.026","","","0.0617","0.0623","","","","","","1.031","","","","has coordinates","218972","2020-10-21","18:00:00",""
"4002369","5.37546","","5.37546","","13.39334","","90","","90","","120","","335.159","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bi Al O3","","- Al Bi O3 -","- Al Bi O3 -","- Al6 Bi6 O18 -","6","0.333333","","Belik, A.A.; Wuernisha, T.; Nagai, T.; Mori, K.; Maie, M.; Kamiyama, T.; Matsui, Y.; Takayama-Muromachi, E.","High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3","Chemistry of Materials (1,1989-)","2006","18","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002454","10.36921","","10.36921","","37.1289","","90","","90","","120","","3457.28","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Fe D (P O4)7","","- Ca9 D Fe O28 P7 -","- Ca9 D0.999 Fe O28 P7 -","- Ca54 D5.994 Fe6 O168 P42 -","6","0.333333","","Belik, A.A.; Stefanovich, S.Yu.; Izumi, F.; Lazoryak, B.I.; Oikawa, K.","Chemical and structural properties of a whitlockite-like phosphate, Ca9 Fe D (P O4)7","Chemistry of Materials (1,1989-)","2003","15","","1399","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002455","10.3576","","10.3576","","37.1429","","90","","90","","120","","3450.84","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ca9.333 Fe1.167 (P O4)7","","- Ca9.333 Fe1.167 O28 P7 -","- Ca9.333 Fe1.167 O28 P7 -","- Ca55.998 Fe7.002 O168 P42 -","6","0.333333","","Belik, A.A.; Izumi, F.; Lazoryak, B.I.; Stefanovich, S.Yu.; Oikawa, K.","Chemical and structural properties of a whitlockite-like phosphate,Ca9 Fe D (P O4)7","Chemistry of Materials (1,1989-)","2003","15","","1399","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","156458","2020-10-21","18:00:00",""
"4002575","19.1745","","19.1745","","7.9943","","90","","90","","120","","2545.42","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ce4 (Si S4)3","","- Ce4 S12 Si3 -","- Ce4 S12 Si3 -","- Ce24 S72 Si18 -","6","0.333333","","Gauthier, G.; Jobic, S.; Evain, M.; Koo, H.-J.; Brec, R.; Whangbo Myunghwan; Fouassier, C.","Syntheses, structures and optical properties of yellow Ce2 Si S5, Ce6 Si4 S17 and Ce4 Si3 S12 materials","Chemistry of Materials (1,1989-)","2003","15","","828","837","","","","","","","","","","","","","","","","","","","","","","has coordinates","159624","2020-10-21","18:00:00",""
"4002716","8.0764","0.0003","8.0764","0.0003","22.3715","0.001","90","","90","","120","","1263.75","0.09","300","1","300","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0217","0.0189","","","0.0497","0.0514","","","","","","1.027","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002717","8.0633","0.0003","8.0633","0.0003","22.2638","0.001","90","","90","","120","","1253.59","0.09","180","1","179.91","0.18","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0141","0.0133","","","0.0335","0.0338","","","","","","1.073","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002719","8.0379","0.0003","8.0379","0.0003","22.6907","0.0012","90","","90","","120","","1269.59","0.09","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0373","0.0287","","","0.0591","0.0627","","","","","","0.981","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002720","8.0249","0.0004","8.0249","0.0004","22.6361","0.0016","90","","90","","120","","1262.44","0.13","240","1","240","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0363","0.0278","","","0.0595","0.0633","","","","","","1.011","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002723","8.2117","0.0002","8.2117","0.0002","22.9478","0.0007","90","","90","","120","","1340.1","0.06","290","1","290","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0189","0.0164","","","0.0454","0.0472","","","","","","0.973","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002724","8.2091","0.0003","8.2091","0.0003","22.8761","0.0008","90","","90","","120","","1335.07","0.08","230","1","230","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0176","0.0154","","","0.0386","0.0402","","","","","","0.966","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002726","8.1171","0.0002","8.1171","0.0002","22.5999","0.0007","90","","90","","120","","1289.55","0.06","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0229","0.0189","","","0.0399","0.0416","","","","","","1.048","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002727","8.112","0.0002","8.112","0.0002","22.5371","0.0006","90","","90","","120","","1284.35","0.06","200","1","200","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0207","0.018","","","0.039","0.0401","","","","","","1.019","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4003246","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003247","14.739","0.005","14.739","0.005","19.17","0.005","90","0.005","90","0.005","120","0.005","3607","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br0.81 Cl5.19 N3 -","- C12 H36 Bi Br0.798 Cl5.202 N3 -","- C72 H216 Bi6 Br4.788 Cl31.212 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71073","MoKα","","0.0155","0.0154","","","0.0379","0.038","","","","","","1.067","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003248","14.796","0.005","14.796","0.005","19.268","0.005","90","0.005","90","0.005","120","0.005","3653","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br1.53 Cl4.47 N3 -","- C12 H36 Bi Br1.5288 Cl4.4712 N3 -","- C72 H216 Bi6 Br9.1728 Cl26.8272 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0107","0.0105","","","0.0276","0.0277","","","","","","0.938","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003249","14.848","0.005","14.848","0.005","19.363","0.005","90","0.005","90","0.005","120","0.005","3697","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br2.31 Cl3.69 N3 -","- C12 H36 Bi Br2.313 Cl3.687 N3 -","- C72 H216 Bi6 Br13.878 Cl22.122 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0129","0.0123","","","0.0299","0.0302","","","","","","0.912","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003250","15.076","0.005","15.076","0.005","19.631","0.005","90","0.005","90","0.005","120","0.005","3864","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br5.08 Cl0.92 N3 -","- C12 H36 Bi Br5.079 Cl0.921 N3 -","- C72 H216 Bi6 Br30.474 Cl5.526 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0213","0.0186","","","0.0332","0.0338","","","","","","0.969","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003251","15.166","0.005","15.166","0.005","19.733","0.005","90","0.005","90","0.005","120","0.005","3931","2","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br6 N3 -","- C12 H36 Bi Br6 N3 -","- C72 H216 Bi6 Br36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0156","0.0146","","","0.0302","0.0304","","","","","","0.911","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003472","5.17589","0.00005","5.17589","0.00005","13.86668","0.00014","90","","90","","120","","321.716","0.005","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.54 Li4.92 Mn1.08 Nb5.46 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4003473","5.23421","0.00003","5.23421","0.00003","13.915","0.0001","90","","90","","120","","330.154","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.28 Li0.43 Mn0.57 Nb0.72 O3 -","- Fe0.29 Li0.43 Mn0.57 Nb0.71 O3 -","- Fe1.74 Li2.58 Mn3.42 Nb4.26 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4003474","5.22485","0.00003","5.22485","0.00003","13.9028","0.0001","90","","90","","120","","328.686","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe1.38 Li3.24 Mn2.76 Nb4.62 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4003475","5.19699","0.00001","5.19699","0.00001","13.87683","0.00004","90","","90","","120","","324.582","0.0013","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Fe0.17 Li0.67 Mn0.33 Nb0.83 O3 -","- Fe0.167 Li0.67 Mn0.33 Nb0.833 O3 -","- Fe1.002 Li4.02 Mn1.98 Nb4.998 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294982","2024-10-02","07:20:12",""
"4022411","25.217","0.003","25.217","0.003","9.38","0.003","90","","90","","120","","5166","2","223","1","223","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","trans,trans,trans-[1.1.1](3,3')-Azobenzenophane","","","- C40 H31 Cl3 N6 -","- C40 H31 Cl3 N6 -","- C240 H186 Cl18 N36 -","6","0.333333","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.71069","MoKα","","0.1478","0.0826","","","0.2114","0.2378","","","","","","1.446","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4023449","31.351","0.004","31.351","0.004","7.6711","0.0013","90","","90","","120","","6529.8","1.7","150","","150","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H10 F3 N O5 S -","- C12 H10 F3 N O5 S -","- C216 H180 F54 N18 O90 S18 -","18","1","","Zhenglai Fang; Yunlong Song; Taradas Sarkar; Ernest Hamel; William E. Fogler; Gregory E. Agoston; Phillip E. Fanwick; Mark Cushman","Stereoselective Synthesis of 3,3-Diarylacrylonitriles as Tubulin Polymerization Inhibitors","Journal of Organic Chemistry","2008","73","","4241","4244","10.1021/jo800428b","","","0.71073","MO-Kα","","0.078","0.069","","","0.164","0.171","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026748","21.759","0.001","21.759","0.001","10.388","0.001","90","","90","","120","","4259.3","0.5","293","2","295","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(1S,2S,8aS)-2.bromooctahydro-1-indolizinol","","- C8 H14 Br N O -","- C8 H14 Br N O -","- C144 H252 Br18 N18 O18 -","18","1","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","","1.54178","CuKα","","0.0827","0.0506","","","0.11","0.1237","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027457","24.4458","0.0005","24.4458","0.0005","26.3085","0.0004","90","","90","","120","","13615.6","0.4","150","1","150","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30.33 H37.67 Br2 Fe N3 O1.33 -","- C30.34 H37.68 Br2 Fe N3 O1.33 -","- C546.12 H678.24 Br36 Fe18 N54 O23.94 -","18","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0596","0.0394","","","0.0865","0.0932","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027819","18.249","","18.249","","35.95","","90","","90","","120","","10368.3","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(Ag4 (S (N S O)2)9) (As F6)4 (S O2)","","- Ag4 As4 F24 N18 O20 S28 -","- Ag4 As4 F24 N18 O20.0001 S28 -","- Ag24 As24 F144 N108 O120.001 S168 -","6","0.333333","","Jones, P.G.; Thomas, M.; Pinkert, W.; Roesky, H.W.; Sheldrick, G.M.","Preparation and Crystal and Molecular Structure of a Polymeric Bis(sulphinylnitrilo)sulphur Complex of Silver(I): (Ag4(N S O)2)9)(As F6)4 * S O2","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1983","1983","","1211","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4031571","11.814","","11.814","","29.974","","90","","90","","120","","3623.01","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bi5 (Ga Cl4)3","","- Bi5 Cl12 Ga3 -","- Bi5 Cl12 Ga3 -","- Bi30 Cl72 Ga18 -","6","0.333333","","Lindsjoe, M.; Kloo, L.; Fischer, A.","Improvements of and insights into the isolation of bismuth polycations from benzene solution - single-crystal structure determinations of Bi8 [Ga Cl4]2 and Bi5 [Ga Cl4]3","European Journal of Inorganic Chemistry","2005","2005","","670","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","161457","2020-10-21","18:00:00",""
"4032274","8.3516","0.0003","8.3516","0.0003","23.0965","0.001","90","","90","","120","","1395.13","0.09","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H16 Br N O3 -","- C6 H16 Br N O3 -","- C36 H96 Br6 N6 O18 -","6","0.333333","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0302","0.0256","","","0.0579","0.0599","","","","","","1.076","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4035126","22.011","0.0007","22.011","0.0007","42.9761","0.0014","90","","90","","120","","18031.7","1","100","2","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C229 H355 Cl3 N30 O40 P4 -","- C229 H355 Cl3 N30 O40 P4 -","- C687 H1065 Cl9 N90 O120 P12 -","3","0.166667","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.0792","0.055","","","0.1422","0.1612","","","","","","1.043","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4060711","20.3499","0.0009","20.3499","0.0009","34.489","0.003","90","","90","","120","","12368.9","1.2","193","2","193","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C21 H44 N4 Si4 -","- C21 H44 N4 Si4 -","- C378 H792 N72 Si72 -","18","1","","Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg","Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies","Organometallics","2003","22","3","516","522","10.1021/om020708h","","","0.71073","MoKα","","0.032","0.0272","","","0.0642","0.0656","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060712","20.381","0.0006","20.381","0.0006","34.7323","0.0015","90","","90","","120","","12494.4","0.7","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H44 Ge N4 Si3 -","- C21 H44 Ge N4 Si3 -","- C378 H792 Ge18 N72 Si54 -","18","1","","Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg","Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies","Organometallics","2003","22","3","516","522","10.1021/om020708h","","","0.71073","MoKα","","0.0346","0.0257","","","0.0515","0.0532","","","","","","0.921","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061146","18.762","0.01","18.762","0.01","11.19","0.008","90","","90","","120","","3411","4","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C12 H10 N P -","- C27 H24 N3 P -","- C162 H144 N18 P6 -","6","0.333333","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4068510","26.911","0.003","26.911","0.003","25.553","0.005","90","","90","","120","","16026","4","223","2","223","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C29 H38.67 Cl2 O2.83 Os P3 -","- C29 H38.6633 Cl2 O2.83333 Os P3 -","- C522 H695.94 Cl36 O51 Os18 P54 -","18","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping","Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex","Organometallics","2009","28","4","1101","","10.1021/om800907v","","","0.71073","MoKα","","0.034","0.0326","","","0.0824","0.0828","","","","","","1.097","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4070057","21.059","0.001","21.059","","15.2873","0.0007","90","","90","","120","","5871.3","0.4","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C24 H57 Cu I4 N9 O3 P3 -","- C24 H57 Cu I4 N9 O3 P3 -","- C144 H342 Cu6 I24 N54 O18 P18 -","6","0.333333","","Kirillov, Alexander M.; Smoleński, Piotr; Ma, Zhen; da Silva, M. Fátima C. Guedes; Haukka, Matti; Pombeiro, Armando J. L.","Copper(I) Iodide Complexes Derived fromN-Alkyl-1,3,5-triaza-7-phosphaadamantanes: Synthesis, Crystal Structures, Photoluminescence, and Identification of the Unprecedented {Cu3I5}2−Cluster","Organometallics","2009","28","22","6425","","10.1021/om900591q","","","0.71069","MoKα","","0.0314","0.0279","","","0.0684","0.0698","","","","","","1.033","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070062","21.059","0.001","21.059","","15.2873","0.0007","90","","90","","120","","5871.3","0.4","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C24 H57 Cu I4 N9 O3 P3 -","- C24 H57 Cu I4 N9 O3 P3 -","- C144 H342 Cu6 I24 N54 O18 P18 -","6","0.333333","","Vicente, José; Shenoy, Rashmi V.; Martínez-Viviente, Eloísa; Jones, Peter G.","Synthesis of Mono-, Di-, and Tripalladated 1,3,5-Benzenetricarboxaldehyde Complexes","Organometallics","2009","28","20","6101","","10.1021/om9005966","","","0.71069","MoKα","","0.0314","0.0279","","","0.0684","0.0698","","","","","","1.033","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4072667","25.0827","0.0009","25.0827","","7.83554","0.00024","90","","90","","120","","4269.2","0.2","100","","100","","","","","","","","laboratory preparation","4","R 3 c :H","R 3 -2""c","161","potassium carbazolate","potassium carbazolate","","- C12 H8 K N -","- C12 H8 K N -","- C216 H144 K18 N18 -","18","1","","Dinnebier, Robert; Esbak, Hoda; Olbrich, Falk; Behrens, Ulrich","Structure Determination of Unsolvated Potassium, Rubidium, and Cesium Carbazolates","Organometallics","2007","26","10","2604","","10.1021/om060927t","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.09915","","0.9","","","","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072668","24.9084","0.0011","24.9084","","8.1932","0.0004","90","","90","","120","","4402.3","0.3","100","","100","","","","","","","","laboratory preparation","4","R 3 c :H","R 3 -2""c","161","rubidium carbazolate","rubidium carbazolate","","- C12 H8 N Rb -","- C12 H8 N Rb -","- C216 H144 N18 Rb18 -","18","1","","Dinnebier, Robert; Esbak, Hoda; Olbrich, Falk; Behrens, Ulrich","Structure Determination of Unsolvated Potassium, Rubidium, and Cesium Carbazolates","Organometallics","2007","26","10","2604","","10.1021/om060927t","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.10108","","0.9","","","","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4073474","19.501","0.0004","19.501","0.0004","22.1204","0.0005","90","","90","","120","","7285.1","0.3","183","2","183","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C42 H63 Br3 Ca3 Mg O7 -","- C42 H63 Br3 Ca3 Mg O7 -","- C252 H378 Br18 Ca18 Mg6 O42 -","6","0.333333","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structure of the Solvent-Separated Calcium Cuprate [(thf)3Ca(μ-Ph)3Ca(thf)3]+[Ph−Cu−Ph]-","Organometallics","2007","26","14","3269","","10.1021/om700353w","","","0.71073","MoKα","","0.0579","0.0433","","","0.1049","0.1128","","","","","","1.032","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4074615","22.7865","0.0002","22.7865","0.0002","67.5519","0.0001","90","","90","","120","","30375.5","0.4","293","2","293","2","","","","","","","","10","R 3 c :H","R 3 -2""c","161","","","","- C62 H64.33 Cl0.67 Cu F2 N0 O3.83 P4 Pt Sb0.33 -","- C62 H62 Cl0.666667 Cu F2 O3.83333 P4 Pt Sb0.333333 -","- C1116 H1116 Cl12 Cu18 F36 O69 P72 Pt18 Sb6 -","18","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.0804","0.0596","","","0.1539","0.1778","","","","","","1.137","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074953","17.5476","0.0005","17.5476","0.0005","30.2034","0.0017","90","","90","","120","","8054.2","0.6","200","2","200","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C44 H41 F24 N3 P4 Ru4 -","- C44 H41 F24 N3 P4 Ru4 -","- C264 H246 F144 N18 P24 Ru24 -","6","0.333333","","Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank","Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4","Organometallics","2006","25","6","1440","1447","10.1021/om051050l","","","0.71073","MoKα","","0.0575","0.0458","","","0.0904","0.0939","","","","","","0.972","","","","has coordinates","209830","2020-10-21","18:00:00",""
"4077621","15.1989","0.0016","15.1989","0.0016","55.338","0.009","90","","90","","120","","11071","2","213","2","213","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C84 H84 Na3 O12 Y -","- C84 H84 Na3 O12 Y -","- C504 H504 Na18 O72 Y6 -","6","0.333333","","Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander","Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!","Organometallics","2000","19","25","5416","","10.1021/om0006256","","","0.71073","MoKα","","0.112","0.0596","","","0.1101","0.1227","","","","","","0.841","","","","has coordinates,has disorder","178665","2020-10-21","18:00:00",""
"4078156","33.59","0.003","33.59","0.003","13.3249","0.0012","90","","90","","120","","13020","2","150","2","150","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","MAAC","","","- C31.5 H48 N2 O -","- C24 H30 N2 O -","- C432 H540 N36 O18 -","18","1","","Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups","Organometallics","2012","31","8","3373","","10.1021/om3001586","","","0.71075","MoKα","","0.1299","0.0663","","","0.1357","0.1567","","","","","","0.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079034","14.233","0.002","14.233","0.002","40.08","0.04","90","","90","","120","","7032","7","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C30 H48 Cl7 Cu4 N3 -","- C30 H48 Cl7 Cu4 N3 -","- C180 H288 Cl42 Cu24 N18 -","6","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","","0.0776","0.0707","","","0.1965","0.2032","","","","","","1.121","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079842","16.104","0.001","16.104","0.001","57.726","0.002","90","","90","","120","","12964.9","1.2","150","0.1","150","0.1","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C67 H106 Li7 O5 P3 S3 Si4 -","- C67.02 H106.05 Li7 O5 P3 S3 Si4 -","- C402.12 H636.3 Li42 O30 P18 S18 Si24 -","6","0.333333","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.1092","0.0802","","","0.2257","0.2439","","","","","","1.038","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4083453","20.7214","0.001","20.7214","0.001","39.396","0.004","90","","90","","120","","14649.4","1.8","273","2","273","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C31 H37 Co I O2 P3 -","- C31 H37 Co I O2 P3 -","- C558 H666 Co18 I18 O36 P54 -","18","1","","Xu, Guoqiang; Sun, Hongjian; Li, Xiaoyan","Activation of sp3Carbon−Hydrogen Bonds by Cobalt and Iron Complexes and Subsequent C−C Bond Formation","Organometallics","2009","28","20","6090","","10.1021/om9007218","","","0.71073","MoKα","","0.0572","0.0443","","","0.1351","0.1464","","","","","","0.996","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4085169","22.7044","0.0012","22.7044","0.0012","30.044","0.002","90","","90","","120","","13412.5","1.3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C69 H126 La3 N15 Si6 -","- C69 H126 La3 N15 Si6 -","- C414 H756 La18 N90 Si36 -","6","0.333333","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.028","0.0233","","","0.0496","0.0519","","","","","","1.065","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085170","22.56","0.0007","22.56","0.0007","30.006","0.0019","90","","90","","120","","13225.6","1","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C69 H126 N15 Nd3 Si6 -","- C69 H126 N15 Nd3 Si6 -","- C414 H756 N90 Nd18 Si36 -","6","0.333333","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.03","0.0258","","","0.0622","0.064","","","","","","0.994","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085252","20.3541","0.0007","20.3541","0.0007","16.7604","0.0007","90","","90","","120","","6013.4","0.4","149.99","0.1","149.99","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H72 La N3 Si6 -","- C27 H72 La N3 Si6 -","- C162 H432 La6 N18 Si36 -","6","0.333333","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0328","0.0273","","","0.0538","0.0568","","","","","","1.041","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4085253","20.271","0.002","20.271","0.002","16.723","0.002","90","","90","","120","","5951.1","1.1","150.01","0.12","150.01","0.12","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H72 Ce N3 Si6 -","- C27 H72 Ce N3 Si6 -","- C162 H432 Ce6 N18 Si36 -","6","0.333333","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0734","0.0389","","","0.071","0.0821","","","","","","1.027","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4085517","24.4911","0.0004","24.4911","0.0004","89.0912","0.0017","90","","90","","120","","46278.8","1.4","170","","170","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C86 H82 F10 N8 O4 Zn4 -","- C86 H82 F10 N8 O4 Zn4 -","- C1548 H1476 F180 N144 O72 Zn72 -","18","1","","Cadenbach, Thomas; Pankhurst, James R.; Hofmann, Tommy A.; Curcio, Massimiliano; Arnold, Polly L.; Love, Jason B.","Macrocyclic Platforms for the Construction of Tetranuclear Oxo and Hydroxo Zinc Clusters","Organometallics","2015","34","11","2608","","10.1021/om501244n","","","0.71073","MoKα","","0.0516","0.0435","","","0.1202","0.1267","","","","","","1.047","","","","has coordinates,has disorder","203907","2020-10-21","18:00:00",""
"4086078","15.6428","0.0009","15.6428","0.0009","65.761","0.004","90","","90","","120","","13935.7","1.4","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C81 H108 B Cu3 F4 N6 S -","- C81 H108 B Cu3 F4 N6 S -","- C486 H648 B6 Cu18 F24 N36 S6 -","6","0.333333","","Zhai, Junjie; Hopkins, Michael D.; Hillhouse, Gregory L.","Synthesis and Structure of a CuI3S Cluster Unsupported by Other Bridging Ligands","Organometallics","2015","34","19","4637","","10.1021/acs.organomet.5b00421","","","0.71073","MoKα","","0.0444","0.0317","","","0.065","0.0682","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086989","23.0625","0.0006","23.0625","0.0006","39.8602","0.0011","90","","90","","120","","18360.4","0.8","120","2","120","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C225 H202 Ag14 F24 N6 O27 P12 S8 -","- C225 H202 Ag14 F23.9994 N6 O26.9998 P12 S7.9998 -","- C674.999 H606 Ag42 F71.9982 N18 O80.9994 P36 S23.9994 -","3","0.166667","","Chen, Yi-Ting; Krytchankou, Ilya S.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Chou, Pi-Tai; Koshevoy, Igor O.","Silver Alkynyl-Phosphine Clusters: An Electronic Effect of the Alkynes Defines Structural Diversity","Organometallics","2017","36","2","480","","10.1021/acs.organomet.6b00866","","","0.71073","MoKα","","0.0307","0.0271","","","0.0766","0.0791","","","","","","1.037","","","","has coordinates","191289","2020-10-21","18:00:00",""
"4088535","12.5688","0.0012","12.5688","0.0012","43.147","0.005","90","","90","","120","","5902.9","1.1","130","2","130","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C32 H53 Cl3 Li N6 O4 Sc -","- C31.97 H52.92 Cl3 Li N6 O4 Sc -","- C191.82 H317.52 Cl18 Li6 N36 O24 Sc6 -","6","0.333333","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0759","0.0612","","","0.1735","0.1886","","","","","","1.061","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4088536","12.554","0.003","12.554","0.003","43.637","0.011","90","","90","","120","","5956","3","130","2","130","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C32 H53 Cl3 Li N6 O4 Y -","- C31.97 H52.92 Cl3 Li N6 O4 Y -","- C191.82 H317.52 Cl18 Li6 N36 O24 Y6 -","6","0.333333","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0971","0.0587","","","0.1414","0.1628","","","","","","1.009","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4088537","12.5731","0.0012","12.5731","0.0012","43.468","0.004","90","","90","","120","","5950.9","1","133","2","133","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C32 H53 Cl3 Li Lu N6 O4 -","- C31.9996 H52.9992 Cl3 Li Lu N6 O4 -","- C191.998 H317.995 Cl18 Li6 Lu6 N36 O24 -","6","0.333333","","Li, Tengfei; Zhang, Guangchao; Guo, Jingjing; Wang, Shaowu; Leng, Xuebing; Chen, Yaofeng","Tris(pyrazolyl)methanide Complexes of Trivalent Rare-Earth Metals","Organometallics","2016","35","10","1565","","10.1021/acs.organomet.6b00166","","","0.71073","MoKα","","0.0464","0.028","","","0.0721","0.0814","","","","","","0.962","","","","has coordinates","237654","2020-10-21","18:00:00",""
"4100657","19.9487","0.0016","19.9487","0.0016","26.536","0.005","90","","90","","120","","9145.2","1.9","123","2","123","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C36 H84 Cl4 Fe4 Ni4 P4 S6 -","- C216 H504 Cl24 Fe24 Ni24 P24 S36 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","178752","2020-10-21","18:00:00",""
"4103787","16.6402","0.0003","16.6402","0.0003","7.7024","0.0001","90","","90","","120","","1847.03","0.05","277.2","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Toru Amaya; Shu Seki; Toshiyuki Moriuchi; Kana Nakamoto; Takuto Nakata; Hiroyuki Sakane; Akinori Saeki; Seiichi Tagawa; Toshikazu Hirao","Anisotropic Electron Transport Properties in Sumanene Crystal","Journal of the American Chemical Society","2009","131","","408","409","10.1021/ja805997v","","","1.5419","CuKα","","","0.0334","","","","0.0862","","","","","","0.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105301","29.1453","0.0001","29.1453","0.0001","16.991","0.0002","90","","90","","120","","12499.3","0.16","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 In3 N3 O24 -","- C72 H96 In3 N3 O24 -","- C432 H576 In18 N18 O144 -","6","0.333333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","","0.0307","","","0.0755","0.0771","","","","","","1.013","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105302","29.155","0.002","29.155","0.002","17.367","0.003","90","","90","","120","","12784","3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C84 H117 In3 N3 O24 -","- C84 H117 In3 N3 O24 -","- C504 H702 In18 N18 O144 -","6","0.333333","","Shumei Chen; Jian Zhang; Tao Wu; Pingyun Feng; Xianhui Bu","Multiroute Synthesis of Porous Anionic Frameworks and Size-Tunable Extraframework Organic Cation-Controlled Gas Sorption Properties","Journal of the American Chemical Society","2009","131","","16027","16029","10.1021/ja906302t","","","0.71073","MoKα","","0.0732","0.0584","","","0.1289","0.147","","","","","","1.052","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4108984","13.4646","0.0002","13.4646","0.0002","59.9213","0.001","90","","90","","120","","9408","0.3","150","1","150","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C45 H75 Cl2 Mn5 N24 O7 -","- C45 H75 Cl2 Mn5 N24 O7 -","- C270 H450 Cl12 Mn30 N144 O42 -","6","0.333333","","Chen-I Yang; Wolfgang Wernsdorfer; Gene-Hsiang Lee; Hui-Lien Tsai","A Pentanuclear Manganese Single-Molecule Magnet with a Large Anisotropy","Journal of the American Chemical Society","2007","129","","456","457","10.1021/ja066533a","","","0.71073","MoKα","","0.0475","0.0374","","","0.0817","0.0855","","","","","","1.11","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4109223","54.1597","0.0007","54.16","","33.1332","0.0002","90","","90","","120","","84168.4","1.2","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C198.33 H194.5 Cl5.33 N17.83 O24 U4 -","- C198.333 H194.49 Cl5.33333 N17.8333 O24 U4 -","- C3570 H3500.82 Cl96 N321 O432 U72 -","18","1","","Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen","Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2007","129","","3641","3648","10.1021/ja068561z","","","0.71073","MoKα","","0.0657","0.0451","","","0.0857","0.0951","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109746","24.3978","0.0015","24.3978","0.0015","7.1468","0.0009","90","","90","","120","","3684.2","0.6","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Eu Na2 Se4 Si -","- Eu Na2 Se4 Si -","- Eu18 Na36 Se72 Si18 -","18","1","","Amitava Choudhury; Peter K. Dorhout","An Ordered Assembly of Filled Nanoscale Tubules of Europium Seleno-silicate in the Crystal Structure of a Quaternary Compound","Journal of the American Chemical Society","2007","129","","9270","9271","10.1021/ja073335q","","","0.71073","MoKα","","0.0375","0.029","","","0.0469","0.0487","","","","","","1.006","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4110279","13.596","0.001","13.596","0.001","55.303","0.005","90","","90","","120","","8853.2","1.2","168.2","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C61 H83 Fe N4 Na O7 -","- C61.02 H75 Fe N4 Na O6.99 -","- C366.12 H450 Fe6 N24 Na6 O41.94 -","6","0.333333","","W. Hill Harman; Christopher J. Chang","N~2~O Activation and Oxidation Reactivity from a Non-Heme Iron Pyrrole Platform","Journal of the American Chemical Society","2007","129","","15128","15129","10.1021/ja076842g","","","0.7107","MoKα","","0.0538","0.0416","","0.0536","","0.0515","","","","","","2.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111887","16.642","0.001","16.6424","","7.724","0.002","90","","90","","120","","1852.7","0.5","296.2","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Hidehiro Sakurai; Taro Daiko; Hiroyuki Sakane; Toru Amaya; Toshikazu Hirao","Structural Elucidation of Sumanene and Generation of Its Benzylic Anions","Journal of the American Chemical Society","2005","127","","11580","11581","10.1021/ja0518169","","","0.7107","MoKα","","","0.0698","","","","0.1241","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114347","37.6785","0.0007","37.6785","0.0007","8.196","0.0001","90","","90","","120","","10076.7","0.3","200","2","200","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C468 H486 N18 O54 S18 -","18","1","","Aaron C. Kinsman; Michael A. Kerr","The Total Synthesis of (+)-Hapalindole Q by an Organomediated Diels-Alder Reaction","Journal of the American Chemical Society","2003","125","","14120","14125","10.1021/ja036191y","","","0.71073","MoKα","","0.0609","0.0407","","","0.0907","0.0973","","","","","","1.006","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4115118","20.559","0.0002","20.559","0.0002","9.9385","0.0002","90","","90","","120","","3637.94","0.09","200","2","200","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C18 H24 S6 -","- C21 H24 S6 -","- C126 H144 S36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0315","0.028","","","0.0838","0.0865","","","","","","1.219","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115398","33.156","0.0006","33.156","0.0006","32.884","0.0005","90","","90","","120","","31306.9","0.9","120","","120","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Lithium tris[di-tert-butyl(methyl)silyl]germanide","","- C168 H372 Ge4 Li4 O15 Si12 -","- C168 H363 Ge4 Li4 O15 Si12 -","- C1008 H2178 Ge24 Li24 O90 Si72 -","6","0.333333","","Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi","Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction","Journal of the American Chemical Society","2002","124","","15160","15161","10.1021/ja021142r","","","0.7107","MoKα","","0.0794","0.0696","","","0.1754","0.1842","","","","","","1.047","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4117142","20.618","0.002","20.6184","","27.923","0.002","90","","90","","120","","10280","1.2","293","","293","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C24 H108 Cl12 Cu4 N12 O8 P4 Pd6 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","- C144 Cl72 Cu24 N72 O48 P24 Pd36 -","","","","Takahiro Hosokawa; Minoru Takano; Shun-Ichi Murahashi","The First Isolation and Characterization of a Palladium-Copper Heterometallic Complex Bearing μ4-Oxo Atom Derived from Molecular Oxygen","Journal of the American Chemical Society","1996","118","","3990","3991","10.1021/ja953514k","","","0.7107","MoKalpha","","","0.051","","","0.037","","","","","2.35","2.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117532","5.202475","0.000004","5.202475","","14.01449","0.00011","90","","90","","120","","328.494","0.003","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe0.33 O Sc0.33 -","- Fe0.333333 O Sc0.333333 -","- Fe6 O18 Sc6 -","18","1","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","178946","2020-10-21","18:00:00",""
"4117736","9.3928","0.0013","9.3928","0.0013","51.008","0.0013","90","","90","","120","","3897.3","0.8","100.1","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C20 H30 Cr Mn N O14 -","- C19.99 Cr Mn N O14.01 -","- C119.94 Cr6 Mn6 N6 O84.06 -","6","0.333333","","Masaaki Sadakiyo; Hisashi Ōkawa; Akihito Shigematsu; Masaaki Ohba; Teppei Yamada; Hiroshi Kitagawa","Promotion of Low-Humidity Proton Conduction by Controlling Hydrophilicity in Layered Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","5472","5475","10.1021/ja300122r","","","0.71073","MoKα","","","0.0519","","","","0.1344","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118153","8.346","0.019","8.346","0.019","20.58","0.08","90","","90","","120","","1241","6","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Yttrium(III) Borate Chloride","","","- B6 O12 Y -","- B6 O12 Y -","- B36 O72 Y6 -","6","0.333333","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0311","0.0273","","","0.0626","0.0654","","","","","","1.055","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4119170","18.5005","0.0009","18.5005","0.0009","16.9729","0.0007","90","","90","","120","","5031","0.4","143","1","143","1","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Br N3 O Si6 U -","- C18 H54 Br1.1 N3 O0.9 Si6 U -","- C108 H324 Br6.6 N18 O5.4 Si36 U6 -","6","0.333333","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.027","0.0245","","","0.0589","0.0606","","","","","","1.186","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119387","9.874","0.005","9.874","0.005","32.962","0.005","90","","90","","120","","2783","2","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 Ni O4 -","- C12 H30 Cl2 N4 Ni O4 -","- C72 H180 Cl12 N24 Ni6 O24 -","6","0.333333","","Renaud Ruamps; Rémi Maurice; Luke Batchelor; Martial Boggio-Pasqua; Régis Guillot; Anne Laure Barra; Junjie Liu; El-Eulmi Bendeif; Sébastien Pillet; Stephen Hill; Talal Mallah; Nathalie Guihéry","Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory","Journal of the American Chemical Society","2013","135","","3017","3026","10.1021/ja308146e","","x-ray","0.71069","MoKα","","0.0377","0.0249","","","0.0561","0.0609","","","","","","1.023","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119388","9.8155","0.0004","9.8155","0.0004","32.752","0.002","90","","90","","120","","2732.7","0.2","10","2","10","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 Ni O4 -","- C12 H30 Cl2 N4 Ni O4 -","- C72 H180 Cl12 N24 Ni6 O24 -","6","0.333333","","Renaud Ruamps; Rémi Maurice; Luke Batchelor; Martial Boggio-Pasqua; Régis Guillot; Anne Laure Barra; Junjie Liu; El-Eulmi Bendeif; Sébastien Pillet; Stephen Hill; Talal Mallah; Nathalie Guihéry","Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory","Journal of the American Chemical Society","2013","135","","3017","3026","10.1021/ja308146e","","","0.71073","MoKα","","0.0271","0.0222","","","0.0469","0.0502","","","","","","1.098","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4120741","18.476","0.004","18.476","0.004","16.94","0.004","90","","90","","120","","5007.9","1.9","143","1","143","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C19 H57 N3 Si6 U -","- C19 H56.97 N3 Si6 U -","- C114 H341.82 N18 Si36 U6 -","6","0.333333","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.023","0.021","","","0.0707","0.0868","","","","","","1.386","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4121995","5.17086","0.00015","5.17086","","13.9353","0.0004","90","","90","","120","","322.68","","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","zinc iron tantalite","","- Fe O6 Ta Zn2 -","- Fe O6 Ta Zn2 -","- Fe3 O18 Ta3 Zn6 -","3","0.166667","","Li, Man-Rong; Stephens, Peter W.; Retuerto, Maria; Sarkar, Tapati; Grams, Christoph P.; Hemberger, Joachim; Croft, Mark C.; Walker, David; Greenblatt, Martha","Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics.","Journal of the American Chemical Society","2014","136","24","8508","8511","10.1021/ja502774v","powder diffraction","x-ray","0.70018","","","","","","","","","0.0927","","1.15","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122825","5.1968","0.0002","5.1968","0.0002","13.9363","0.0005","90","","90","","120","","325.95","0.02","300","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe O3 Sc -","- Fe O3 Sc -","- Fe6 O18 Sc6 -","6","0.333333","","Kawamoto, Takahiro; Fujita, Koji; Yamada, Ikuya; Matoba, Tomohiko; Kim, Sung Joo; Gao, Peng; Pan, Xiaoqing; Findlay, Scott D.; Tassel, Cédric; Kageyama, Hiroshi; Studer, Andrew J.; Hester, James; Irifune, Tetsuo; Akamatsu, Hirofumi; Tanaka, Katsuhisa","Room-Temperature Polar Ferromagnet ScFeO3 Transformed from a High-Pressure Orthorhombic Perovskite Phase.","Journal of the American Chemical Society","2014","136","43","15291","15299","10.1021/ja507958z","powder diffraction","","0.41912","","","0.00635","","","","","","0.00633","0.01306","0.7877","","","","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4124796","14.63","","14.63","","18.377","","90","","90","","120","","3406.39","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","((Ir (C O)6) (Sb F6)3) (H F)4","","- C6 H4 F22 Ir O6 Sb3 -","- C6 H3.99 F22 Ir O6 Sb3 -","- C36 H23.94 F132 Ir6 O36 Sb18 -","6","0.333333","","von Ahsen, B.; Berkei, M.; Henkel, G.; Willner, H.; Aubke, F.","The synthesis, vibrational spectra and molecular structure of (Ir (C O)6) (Sb F6)3 * 4(H F) - the first structurally characterized salt with a tripositive, homoleptic metal carbonyl cation and the first example of a tetrahedral hydrogen-bonded (H F)4 cluster","Journal of the American Chemical Society","2002","124","","8371","8379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124907","28.0944","0.0009","28.0944","0.0009","184.156","0.007","90","","90","","120","","125880","7","135","2","135","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C270 H288 B12 F48 Fe10 N60 O42 Sb8 -","- C270 H288 B12 F34.8 Fe10 N60 O42 Sb6 -","- C3240 H3456 B144 F417.6 Fe120 N720 O504 Sb72 -","12","0.666667","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","1.54178","CuKα","","0.1191","0.1044","","","0.2693","0.2811","","","","","","1.05","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4125624","26.6275","0.0007","26.6275","0.0007","14.9233","0.0005","90","","90","","120","","9163.4","0.5","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C20 H24 Fe N4 O2 -","- C20 H24 Fe N4 O2 -","- C360 H432 Fe18 N72 O36 -","18","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0501","0.0347","","","0.0718","0.0787","","","","","","0.938","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125730","5.01871","0.00009","5.01871","0.00009","13.5879","0.0003","90","","90","","120","","296.392","0.01","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","GaFeO3_polar_corundum","- Fe Ga O3 -","- Fe Ga O3 -","- Fe6 Ga6 O18 -","6","0.333333","","Niu, Hongjun; Pitcher, Michael J.; Corkett, Alex J.; Ling, Sanliang; Mandal, Pranab; Zanella, Marco; Dawson, Karl; Stamenov, Plamen; Batuk, Dmitry; Abakumov, Artem M.; Bull, Craig L.; Smith, Ronald I.; Murray, Claire A.; Day, Sarah J.; Slater, Ben; Cora, Furio; Claridge, John B.; Rosseinsky, Matthew J.","Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling.","Journal of the American Chemical Society","2017","139","4","1520","1531","10.1021/jacs.6b11128","","neutron","","","","0.0524","","","0.0509","","","","","","","","","","","","has coordinates","204144","2020-10-21","18:00:00",""
"4126148","33.1271","0.0007","33.1271","0.0007","10.8586","0.0003","90","","90","","120","","10319.8","0.4","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C84 H87 N9 -","- C84 H87 N9 -","- C504 H522 N54 -","6","0.333333","","Ke, Xian-Sheng; Kim, Taeyeon; Brewster, 2nd, James T; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Expanded Rosarin: A Versatile Fullerene (C60) Receptor.","Journal of the American Chemical Society","2017","139","13","4627","4630","10.1021/jacs.7b00735","","","1.54184","CuKα","","0.0417","0.0358","","","0.0849","0.0884","","","","","","1.032","","","","has coordinates","197282","2020-10-21","18:00:00",""
"4126783","15.6745","0.0004","15.6745","0.0004","19.1893","0.0004","90","","90","","120","","4082.98","0.17","101","2","101","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","potassium thorium hexanitrate hydrate","","","- H9 K3 N10 O33 Th -","- H9 K3 N10 O33 Th -","- H54 K18 N60 O198 Th6 -","6","0.333333","","Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda","Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09363","","","0.71073","MoKα","","0.0093","0.0092","","","0.0247","0.0248","","","","","","1.039","","","","has coordinates","203794","2020-10-21","18:00:00",""
"4129258","32.0444","0.001","32.0444","0.001","21.1665","0.0009","90","","90","","120","","18822.8","1.2","100","","100","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C36.67 H46 F6 Mo N2.33 O6 P2 S2 -","- C36.6667 H46.9999 F6 Mo N2.33333 O6 P2 S2 -","- C660 H845.998 F108 Mo18 N42 O108 P36 S36 -","18","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0487","0.0371","","","0.0855","0.0909","","","","","","1.056","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4131941","44.203","0.005","44.203","0.005","26.08","0.003","90","","90","","120","","44131","9","100","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C81 H132 Ce N9 -","- C81 H132 Ce N9 -","- C1458 H2376 Ce18 N162 -","18","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0533","0.04","","","0.0743","0.0795","","","","","","1.042","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4134624","5.1739","0.0002","5.1739","0.0002","13.9856","0.0001","90","","90","","120","","324.226","0.018","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Fe Nb O6 Zn2 -","- Fe0.5 Nb0.5 O3 Zn -","- Fe3 Nb3 O18 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294983","2024-10-02","07:31:41",""
"4134625","5.17022","0.00001","5.17022","0.00001","13.93338","0.00006","90","","90","","120","","322.556","0.0016","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Fe O6 Ta Zn2 -","- Fe0.5 O3 Ta0.5 Zn -","- Fe3 O18 Ta3 Zn6 -","6","0.333333","","Han, Yifeng; Zeng, Yijie; Hendrickx, Mylène; Hadermann, Joke; Stephens, Peter W.; Zhu, Chuanhui; Grams, Christoph Paul; Hemberger, Joachim; Frank, Corey E.; Li, Shufang; Wu, MeiXia; Retuerto, Maria; Croft, Mark; Walker, David; Yao, Dao-Xin; Greenblatt, Martha; Li, Man-Rong","Universal A-cation splitting in LiNbO3-type structure driven by intrapositional multivalent coupling.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01814","","","0.70018","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","294983","2024-10-02","07:31:42",""
"4135161","28.6002","0.0007","28.6002","0.0007","10.14949","0.00019","90","","90","","120","","7189.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","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","","0.0486","0.0392","","","0.0858","0.0902","","","","","","1.042","","","","has coordinates","255514","2020-10-21","18:00:00",""
"4135162","26.6208","0.0013","26.6208","0.0013","10.1543","0.0004","90","","90","","120","","6231.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.17 H11.46 N3 O3 Zn -","- C11.2 H11.5 N3 O3 Zn -","- C201.6 H207 N54 O54 Zn18 -","18","1","","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","","0.0673","0.0639","","","0.1685","0.1718","","","","","","1.102","","","","has coordinates","255515","2020-10-21","18:00:00",""
"4135164","28.7263","0.0009","28.7263","0.0009","10.1348","0.0004","90","","90","","120","","7242.8","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.38 H10.55 N3.79 O3.79 Zn -","- C8.382 H10.558 N3.794 O3.794 Zn -","- C150.876 H190.044 N68.292 O68.292 Zn18 -","18","1","","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","","0.0652","0.0584","","","0.1639","0.1689","","","","","","1.101","","","","has coordinates,has disorder","255517","2020-10-21","18:00:00",""
"4135165","27.0471","0.0011","27.0471","0.0011","10.1495","0.0004","90","","90","","120","","6430.1","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.93 H10.85 N3 O3.73 Zn -","- C8.924 H10.848 N3 O3.731 Zn -","- C160.632 H195.264 N54 O67.158 Zn18 -","18","1","","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","","0.0578","0.0559","","","0.1467","0.1477","","","","","","1.128","","","","has coordinates","255518","2020-10-21","18:00:00",""
"4135168","26.5317","0.0007","26.5317","0.0007","10.1159","0.0002","90","","90","","120","","6166.9","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C11.25 H12 N3 O3 Zn -","- C11.2497 H11.9996 N3 O3 Zn -","- C202.495 H215.993 N54 O54 Zn18 -","18","1","","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","","0.047","0.0446","","","0.1184","0.1198","","","","","","1.037","","","","has coordinates,has disorder","255521","2020-10-21","18:00:00",""
"4135169","26.3829","0.001","26.3829","0.001","10.1215","0.0004","90","","90","","120","","6101.3","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.96 H9.44 N4.48 O3 Zn -","- C8.96 H9.44 N4.48 O3 Zn -","- C161.28 H169.92 N80.64 O54 Zn18 -","18","1","","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","","0.0559","0.0477","","","0.1122","0.116","","","","","","1.032","","","","has coordinates,has disorder","255522","2020-10-21","18:00:00",""
"4135171","28.0844","0.0006","28.0844","0.0006","10.1209","0.0002","90","","90","","120","","6913.2","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C7.94 H9.67 N3 O3.78 Zn -","- C7.94 H9.656 N3 O3.776 Zn -","- C142.92 H173.808 N54 O67.968 Zn18 -","18","1","","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","","0.0444","0.042","","","0.13","0.1324","","","","","","1.182","","","","has coordinates,has disorder","255524","2020-10-21","18:00:00",""
"4135175","27.0749","0.0011","27.0749","0.0011","10.1437","0.0004","90","","90","","120","","6439.6","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.79 H9.73 N3 O3 Zn -","- C9.784 H9.73 N3 O3 Zn -","- C176.112 H175.14 N54 O54 Zn18 -","18","1","","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","","0.0608","0.057","","","0.1509","0.1538","","","","","","1.096","","","","has coordinates,has disorder","255528","2020-10-21","18:00:00",""
"4135179","29.5677","0.0011","29.5677","0.0011","10.1237","0.0003","90","","90","","120","","7664.9","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C13.24 H12.24 N3 O3 Zn -","- C13.236 H12.236 N3 O3 Zn -","- C238.248 H220.248 N54 O54 Zn18 -","18","1","","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","","0.0767","0.0604","","","0.1459","0.1549","","","","","","1.071","","","","has coordinates,has disorder","255532","2020-10-21","18:00:00",""
"4135188","27.0355","0.0009","27.0355","0.0009","10.1431","0.0004","90","","90","","120","","6420.5","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.01 H9.02 N3 O4.01 Zn -","- C8.016 H9.032 N3 O4.008 Zn -","- C144.288 H162.576 N54 O72.144 Zn18 -","18","1","","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","","0.0555","0.0508","","","0.1421","0.1451","","","","","","1.177","","","","has coordinates,has disorder","255541","2020-10-21","18:00:00",""
"4135189","26.583","0.0012","26.583","0.0012","10.1311","0.0004","90","","90","","120","","6200.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H10 N3 O3 Zn -","- C10 H10 N3 O3 Zn -","- C180 H180 N54 O54 Zn18 -","18","1","","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","","0.0931","0.0811","","","0.2014","0.2094","","","","","","1.115","","","","has coordinates,has disorder","255542","2020-10-21","18:00:00",""
"4135190","27.4717","0.0008","27.4717","0.0008","10.1111","0.0002","90","","90","","120","","6608.5","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8.17 H8.25 F3.25 N3 O4.08 Zn -","- C8.166 H8.249 F3.249 N3 O4.083 Zn -","- C146.988 H148.482 F58.482 N54 O73.494 Zn18 -","18","1","","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","","0.0702","0.0641","","","0.1839","0.1903","","","","","","1.05","","","","has coordinates,has disorder","255543","2020-10-21","18:00:00",""
"4135191","26.102","0.002","26.102","0.002","10.1291","0.0005","90","","90","","120","","5976.5","0.7","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","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","","0.1405","0.1158","","","0.2835","0.2988","","","","","","1.181","","","","has coordinates","255544","2020-10-21","18:00:00",""
"4135192","28.539","0.003","28.539","0.003","10.1528","0.0006","90","","90","","120","","7161.3","1.1","150","","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H5 N3 O3 Zn -","- C6 H5 N3 O3 Zn -","- C108 H90 N54 O54 Zn18 -","18","1","","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","","0.1354","0.1092","","","0.2517","0.2676","","","","","","1.131","","","","has coordinates","255545","2020-10-21","18:00:00",""
"4135193","28.5688","0.0005","28.5688","0.0005","10.12978","0.00018","90","","90","","120","","7160","0.2","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8.5 H10.5 N3.5 O3.5 Zn -","- C8.505 H10.511 N3.501 O3.501 Zn -","- C153.09 H189.198 N63.018 O63.018 Zn18 -","18","1","","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","","0.0571","0.0546","","","0.1643","0.1668","","","","","","1.075","","","","has coordinates,has disorder","255546","2020-10-21","18:00:00",""
"4135194","27.7811","0.0008","27.7811","0.0008","10.127","0.0003","90","","90","","120","","6768.8","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.68 H12.35 N3 O4.23 Zn -","- C9.675 H12.35 N3 O4.225 Zn -","- C174.15 H222.3 N54 O76.05 Zn18 -","18","1","","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","","0.0675","0.06","","","0.1529","0.1573","","","","","","1.06","","","","has coordinates,has disorder","255547","2020-10-21","18:00:00",""
"4135196","26.5867","0.0014","26.5867","0.0014","10.1323","0.0004","90","","90","","120","","6202.5","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9.5 H9 N3 O3 Zn -","- C9.5 H9 N3 O3 Zn -","- C171 H162 N54 O54 Zn18 -","18","1","","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","","0.0638","0.0586","","","0.1564","0.1598","","","","","","1.103","","","","has coordinates,has disorder","255549","2020-10-21","18:00:00",""
"4135197","26.5411","0.0014","26.5411","0.0014","10.1419","0.0004","90","","90","","120","","6187.1","0.5","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N3 O3 Zn -","- C9 H8 N3 O3 Zn -","- C162 H144 N54 O54 Zn18 -","18","1","","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","","0.0755","0.0641","","","0.1487","0.155","","","","","","1.06","","","","has coordinates,has disorder","255550","2020-10-21","18:00:00",""
"4135198","28.0952","0.0014","28.0952","0.0014","10.1517","0.0005","90","","90","","120","","6939.6","0.6","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C7.51 H9.54 N3 O3.76 S0.76 Zn -","- C7.512 H9.536 N3 O3.756 S0.756 Zn -","- C135.216 H171.648 N54 O67.608 S13.608 Zn18 -","18","1","","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","","0.0852","0.0752","","","0.2169","0.2268","","","","","","1.061","","","","has coordinates,has disorder","255551","2020-10-21","18:00:00",""
"4135199","27.1513","0.0006","27.1513","0.0006","10.1334","0.0002","90","","90","","120","","6469.4","0.2","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6.84 H6.68 Cl1.68 N3 O3 Zn -","- C6.842 H6.684 Cl1.684 N3 O3 Zn -","- C123.156 H120.312 Cl30.312 N54 O54 Zn18 -","18","1","","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","","0.0741","0.0726","","","0.2109","0.2127","","","","","","1.076","","","","has coordinates","255552","2020-10-21","18:00:00",""
"4135200","26.4227","0.0007","26.4227","0.0007","10.1231","0.0002","90","","90","","120","","6120.7","0.3","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10.82 H11.03 N3 O3 Zn -","- C10.8 H11 N3 O3 Zn -","- C194.4 H198 N54 O54 Zn18 -","18","1","","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","","0.0617","0.0585","","","0.1565","0.1596","","","","","","1.083","","","","has coordinates","255554","2020-10-21","18:00:00",""
"4301624","22.234","0.002","22.234","0.002","13.7017","0.0014","90","","90","","120","","5866","1","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- I13 La3 O40 Pb3 -","- I13 La3 O40 Pb2.994 -","- I78 La18 O240 Pb17.964 -","6","0.333333","","Ting Hu; Li Qin; Fang Kong; Yong Zhou; Jiang-Gao Mao","Ln3Pb3(IO3)13(μ3-O) (Ln = La-Nd): New Types of Second-Order Nonlinear Optical Materials Containing Two Types of Lone Pair Cations","Inorganic Chemistry","2009","48","","2193","2199","10.1021/ic8022375","","","0.71073","MoKα","","0.0442","0.0436","","","0.1071","0.1076","","","","","","1.061","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301625","22.132","0.003","22.132","0.003","13.613","0.002","90","","90","","120","","5774.7","1.4","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ce3 I13 O40 Pb3 -","- Ce3 I13 O40 Pb3.0009 -","- Ce18 I78 O240 Pb18.0054 -","6","0.333333","","Ting Hu; Li Qin; Fang Kong; Yong Zhou; Jiang-Gao Mao","Ln3Pb3(IO3)13(μ3-O) (Ln = La-Nd): New Types of Second-Order Nonlinear Optical Materials Containing Two Types of Lone Pair Cations","Inorganic Chemistry","2009","48","","2193","2199","10.1021/ic8022375","","","0.71073","MoKα","","0.0342","0.032","","","0.0912","0.0921","","","","","","1.082","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301626","22.122","0.004","22.122","0.004","13.543","0.003","90","","90","","120","","5739.8","1.9","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- I39 O120 Pb9 Pr9 -","- I39 O120 Pb8.667 Pr9 -","- I78 O240 Pb17.334 Pr18 -","2","0.111111","","Ting Hu; Li Qin; Fang Kong; Yong Zhou; Jiang-Gao Mao","Ln3Pb3(IO3)13(μ3-O) (Ln = La-Nd): New Types of Second-Order Nonlinear Optical Materials Containing Two Types of Lone Pair Cations","Inorganic Chemistry","2009","48","","2193","2199","10.1021/ic8022375","","","0.71073","MoKα","","0.054","0.0518","","","0.1225","0.1248","","","","","","1.112","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301627","22.0107","0.0011","22.0107","0.0011","13.5549","0.0019","90","","90","","120","","5687.1","0.9","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- I13 Nd3 O40 Pb3 -","- I13 Nd3 O40 Pb2.994 -","- I78 Nd18 O240 Pb17.964 -","6","0.333333","","Ting Hu; Li Qin; Fang Kong; Yong Zhou; Jiang-Gao Mao","Ln3Pb3(IO3)13(μ3-O) (Ln = La-Nd): New Types of Second-Order Nonlinear Optical Materials Containing Two Types of Lone Pair Cations","Inorganic Chemistry","2009","48","","2193","2199","10.1021/ic8022375","","","0.71073","MoKα","","0.0511","0.0504","","","0.1345","0.1358","","","","","","1.05","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301975","13.4536","0.0008","13.4536","0.0008","60.451","0.007","90","","90","","120","","9475.7","1.4","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C45 H72 Cl2 Mn3 N24 O7 Zn2 -","- C45 H72 Cl2 Mn3 N24 O7 Zn2 -","- C270 H432 Cl12 Mn18 N144 O42 Zn12 -","6","0.333333","","Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson; Paul Manning","Nanomodulation of Molecular Nanomagnets","Inorganic Chemistry","2009","48","","3480","3492","10.1021/ic802336k","","","0.71073","MoKα","","0.0446","0.0332","","","0.0701","0.0762","","","","","","1.023","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4301976","13.4023","0.0017","13.4023","0.0017","60.923","0.008","90","","90","","120","","9477","2","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C45 H72 Br2 Mn3 N24 O7 Zn2 -","- C45 H72 Br2 Mn3 N24 O7 Zn2 -","- C270 H432 Br12 Mn18 N144 O42 Zn12 -","6","0.333333","","Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson; Paul Manning","Nanomodulation of Molecular Nanomagnets","Inorganic Chemistry","2009","48","","3480","3492","10.1021/ic802336k","","","0.71073","MoKα","","0.0237","0.0218","","","0.0495","0.0504","","","","","","1.02","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4301980","13.5805","0.0013","13.5805","0.0013","61.748","0.006","90","","90","","120","","9862.5","1.6","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C48 H81 Cl2 Mn3 N24 O7 Zn2 -","- C48 H81 Cl2 Mn3 N24 O7 Zn2 -","- C288 H486 Cl12 Mn18 N144 O42 Zn12 -","6","0.333333","","Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson; Paul Manning","Nanomodulation of Molecular Nanomagnets","Inorganic Chemistry","2009","48","","3480","3492","10.1021/ic802336k","","","0.71073","MoKα","","0.055","0.0526","","","0.1436","0.1457","","","","","","1.047","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4303318","23.3444","0.0017","23.3444","0.0017","21.1904","0.0016","90","","90","","120","","10000.8","1.3","165","2","165","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C20.67 H18 Cl2 N5.33 O2 Pd -","- C20.6667 H18 Cl2 N5.33333 O2 Pd -","- C372 H324 Cl36 N96 O36 Pd18 -","18","1","","Sebastian Scheuermann; Biprajit Sarkar; Michael Bolte; Jan W. Bats; Hans-Wolfram Lerner; Matthias Wagner","Single-Electron Transfer in Palladium Complexes of 1,4-Naphthoquinone-Containing Bis(pyrazol-1-yl)methane Ligands","Inorganic Chemistry","2009","48","","9385","9392","10.1021/ic9013015","","","0.71073","MoKα","","0.0345","0.0245","","","0.0412","0.0438","","","","","","1.029","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4304679","15.453","0.004","15.453","","38.06","0.01","90","","90","","120","","7871","3","100","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C41 H35 Cl6 Mn3 N12 Ni O10 -","- C39 H33 Mn3 N12 Ni O10 -","- C234 H198 Mn18 N72 Ni6 O60 -","6","0.333333","","Patrick L. Feng; Christopher C. Beedle; Changhyun Koo; Wolfgang Wernsdorfer; Motohiro Nakano; Stephen Hill; David N. Hendrickson","Heterometallic Integer-Spin Analogues of S=9/2 Mn4 Cubane Single-Molecule Magnets","Inorganic Chemistry","2008","47","","3188","3204","10.1021/ic702241m","","","0.71073","MoKα","","0.0394","0.0367","","","0.099","0.1002","","","","","","1.09","","","","has coordinates","278041","2022-09-21","12:42:17",""
"4304899","14.4936","0.0003","14.4936","0.0003","82.795","0.003","90","","90","","120","","15062.2","0.7","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C68 H136 Cl8 La2 N12 O27 -","- C67.99 H132 Cl8 La2 N12 O27 -","- C407.94 H792 Cl48 La12 N72 O162 -","6","0.333333","","Shanmugaperumal Kannan; Morgan A. Moody; Charles L. Barnes; Paul B. Duval","Lanthanum(III) and Uranyl(VI) Diglycolamide Complexes: Synthetic Precursors and Structural Studies Involving Nitrate Complexation","Inorganic Chemistry","2008","47","","4691","4695","10.1021/ic7025076","","","0.71073","MoKα","","0.0583","0.0373","","","0.0871","0.0948","","","","","","1.023","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4305893","39.597","0.002","39.597","0.002","24.266","0.003","90","","90","","120","","32950","5","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C195 H198 N24 O63 Pr4 -","- C195 H198 N24 O63 Pr4 -","- C1170 H1188 N144 O378 Pr24 -","6","0.333333","","Xueqin Song; Xiaoyan Zhou; Weisheng Liu; Wei Dou; Jingxin Ma; Xiaoliang Tang; Jiangrong Zheng","Synthesis, Structures, and Luminescence Properties of Lanthanide Complexes with Structurally Related New Tetrapodal Ligands Featuring Salicylamide Pendant Arms","Inorganic Chemistry","2008","47","","11501","11513","10.1021/ic8008267","","","0.71073","MoKα","","0.3188","0.0955","","","0.1535","0.2031","","","","","","1.015","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305894","39.604","0.009","39.604","0.009","24.3","0.015","90","","90","","120","","33008","2","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C621 H684 Eu12 N72 O198 -","- C621 H684 Eu12 N72 O198 -","- C1242 H1368 Eu24 N144 O396 -","2","0.111111","","Xueqin Song; Xiaoyan Zhou; Weisheng Liu; Wei Dou; Jingxin Ma; Xiaoliang Tang; Jiangrong Zheng","Synthesis, Structures, and Luminescence Properties of Lanthanide Complexes with Structurally Related New Tetrapodal Ligands Featuring Salicylamide Pendant Arms","Inorganic Chemistry","2008","47","","11501","11513","10.1021/ic8008267","","","0.71073","MoKα","","0.135","0.0963","","","0.2449","0.2899","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305895","39.56","0.002","39.56","0.002","24.2198","0.0014","90","","90","","120","","32826","3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C621 H684 N72 O198 Tb12 -","- C621 H684 N72 O198 Tb12 -","- C1242 H1368 N144 O396 Tb24 -","2","0.111111","","Xueqin Song; Xiaoyan Zhou; Weisheng Liu; Wei Dou; Jingxin Ma; Xiaoliang Tang; Jiangrong Zheng","Synthesis, Structures, and Luminescence Properties of Lanthanide Complexes with Structurally Related New Tetrapodal Ligands Featuring Salicylamide Pendant Arms","Inorganic Chemistry","2008","47","","11501","11513","10.1021/ic8008267","","","0.71073","MoKα","","0.1192","0.0966","","","0.2427","0.2659","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305896","39.386","0.002","39.386","0.002","24.133","0.003","90","","90","","120","","32421","5","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C195 H198 Er4 N24 O63 -","- C195 H198 Er4 N24 O63 -","- C1170 H1188 Er24 N144 O378 -","6","0.333333","","Xueqin Song; Xiaoyan Zhou; Weisheng Liu; Wei Dou; Jingxin Ma; Xiaoliang Tang; Jiangrong Zheng","Synthesis, Structures, and Luminescence Properties of Lanthanide Complexes with Structurally Related New Tetrapodal Ligands Featuring Salicylamide Pendant Arms","Inorganic Chemistry","2008","47","","11501","11513","10.1021/ic8008267","","","0.71073","MoKα","","0.1236","0.0965","","","0.2357","0.2638","","","","","","1.076","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305985","18.396","0.002","18.396","0.002","16.871","0.004","90","","90","","120","","4944.5","1.4","141","2","141","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl N3 Pu Si6 -","- C18 H54 Cl N3 Pu Si6 -","- C108 H324 Cl6 N18 Pu6 Si36 -","6","0.333333","","Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Trevor W. Hayton; James M. Boncella; Brian L. Scott; Mary P. Neu","Low-Valent Molecular Plutonium Halide Complexes","Inorganic Chemistry","2008","47","","8412","8419","10.1021/ic8009139","","","0.71073","MoKα","","0.0581","0.0328","","","0.054","0.0596","","","","","","1.037","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4306366","13.4536","0.0008","13.4536","0.0008","60.451","0.007","90","","90","","120","","9475.7","1.4","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C45 H72 Cl2 Mn3 N24 O7 Zn2 -","- C45 H72 Cl2 Mn3 N24 O7 Zn2 -","- C270 H432 Cl12 Mn18 N144 O42 Zn12 -","6","0.333333","","Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson","Single-Molecule-Magnet Behavior and Spin Changes Affected by Crystal Packing Effects","Inorganic Chemistry","2008","47","","8610","8612","10.1021/ic801208z","","","0.71073","MoKα","","0.0446","0.0332","","","0.0701","0.0762","","","","","","1.023","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4306367","13.4023","0.0017","13.4023","0.0017","60.923","0.008","90","","90","","120","","9477","2","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C45 H72 Br2 Mn3 N24 O7 Zn2 -","- C45 H72 Br2 Mn3 N24 O7 Zn2 -","- C270 H432 Br12 Mn18 N144 O42 Zn12 -","6","0.333333","","Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson","Single-Molecule-Magnet Behavior and Spin Changes Affected by Crystal Packing Effects","Inorganic Chemistry","2008","47","","8610","8612","10.1021/ic801208z","","","0.71073","MoKα","","0.0237","0.0218","","","0.0495","0.0504","","","","","","1.02","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4308169","21.8675","0.001","21.8675","0.001","12.9705","0.0008","90","","90","","120","","5371.4","0.5","193","2","193","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","neptunium(IV) iodate hydrate","","","- I4.03 Np O13 -","- I4.03 Np O13 -","- I72.54 Np18 O234 -","18","1","","Travis H. Bray; Jie Ling; Eun Sang Choi; James S. Brooks; James V. Beitz; Richard E. Sykora; Richard G. Haire; David M. Stanbury; Thomas E. Albrecht-Schmitt","Critical Role of Water Content in the Formation and Reactivity of Uranium, Neptunium, and Plutonium Iodates under Hydrothermal Conditions: Implications for the Oxidative Dissolution of Spent Nuclear Fuel","Inorganic Chemistry","2007","46","","3663","3668","10.1021/ic070170d","","","0.71073","MoKα","","0.044","0.0403","","","0.087","0.088","","","","","","1.04","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308685","18.25","0.008","18.25","0.008","17.1","0.012","90","","90","","120","","4932","5","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","zirconium","Zirconium tris(trimethylsilylamide) dihydrogenamide","","- C18 H58 N4 Si6 Zr -","- C18 H54 N4 Si6 Zr -","- C108 H324 N24 Si36 Zr6 -","6","0.333333","","Xianghua Yu; Zi-Ling Xue","Deprotonation Reactions of Zirconium and Hafnium Amide Complexes H2N-M[N(SiMe3)2]3 and Subsequent Silyl Migration from Amide -N(SiMe3)2 to Imide NH Ligands","Inorganic Chemistry","2005","44","","1505","1510","10.1021/ic0485413","","","0.71073","MoKα","","0.0314","0.0282","","","0.0835","0.1033","","","","","","0.964","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4310464","21.04152","0.00035","21.04152","0.00035","11.42935","0.00022","90","","90","","120","","4382.34","0.13","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Zn(4-pymo)2","","","- C8 H6 N4 O2 Zn -","- C8 H6 N4 O2 Zn -","- C144 H108 N72 O36 Zn18 -","18","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Coordination Frameworks Containing the Pyrimidin-4-olate Ligand. Synthesis, Thermal, Magnetic, and ab Initio XRPD Structural Characterization of Nickel and Zinc Derivatives","Inorganic Chemistry","2004","43","","473","481","10.1021/ic0351287","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310561","18.4508","0.0007","18.4508","0.0007","16.8934","0.0007","90","","90","","120","","4980.6","0.3","173","2","173","2","","","","","","","synthesis as described","6","R 3 c :H","R 3 -2""c","161","[CeCl{N(SiMe3)2}3]","","","- C18 H54 Ce Cl N3 Si6 -","- C18 H54 Ce Cl N3 Si6 -","- C108 H324 Ce6 Cl6 N18 Si36 -","6","0.333333","","Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert","Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides","Inorganic Chemistry","2004","43","","1031","1038","10.1021/ic035100v","","x-ray","0.71073","MoKα","","0.025","0.0231","","","0.0558","0.0568","","","","","","1.047","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310563","18.4113","0.0012","18.4113","0.0012","16.9631","0.0017","90","","90","","120","","4979.7","0.7","173","2","173","2","","","","","","","synthesis as described","6","R 3 c :H","R 3 -2""c","161","[CeBr(Me3SiNSiMe3)3]","","","- C18 H54 Br Ce N3 Si6 -","- C18 H54 Br Ce N3 Si6 -","- C108 H324 Br6 Ce6 N18 Si36 -","6","0.333333","","Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert","Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides","Inorganic Chemistry","2004","43","","1031","1038","10.1021/ic035100v","","x-ray","0.71073","MoKα","","0.0704","0.0435","","","0.0807","0.0892","","","","","","1.056","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4311414","33.6224","0.0011","33.6224","0.0011","15.2549","0.0007","90","","90","","120","","14934.7","1","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 I3 La N11.17 -","- C25.3333 H29.5 I3 La N11.1667 -","- C456 H531 I54 La18 N201 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0267","0.0216","","","0.0476","0.0486","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311415","33.5808","0.0017","33.5808","0.0017","15.2125","0.0011","90","","90","","120","","14856.4","1.5","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 Ce I3 N11.17 -","- C25.3333 H29.5 Ce I3 N11.1667 -","- C456 H531 Ce18 I54 N201 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0342","0.0286","","","0.0647","0.066","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311416","33.4928","0.0016","33.4928","0.0016","15.1242","0.001","90","","90","","120","","14692.8","1.4","223","2","223","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 I3 N11.17 Nd -","- C25.3333 H26 I3 N11.1667 Nd -","- C456 H468 I54 N201 Nd18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0542","0.0283","","","0.0501","0.0532","","","","","","0.817","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311417","33.4373","0.0013","33.4373","0.0013","15.1099","0.0008","90","","90","","120","","14630.3","1.1","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 I3 N11.17 U -","- C25.3333 H26 I3 N11.1667 U -","- C456 H468 I54 N201 U18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0366","0.0306","","","0.0705","0.0721","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311419","33.379","0.004","33.379","0.004","16.034","0.003","90","","90","","120","","15471","4","223","2","223","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 I3 La N10.5 -","- C27 H31.5 I3 La N10.5 -","- C486 H567 I54 La18 N189 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0634","0.035","","","0.0672","0.0926","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311420","33.281","0.003","33.281","0.003","16.032","0.002","90","","90","","120","","15378","3","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 Ce I3 N10.5 -","- C27 H31.5 Ce I3 N10.5 -","- C486 H567 Ce18 I54 N189 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0806","0.0427","","","0.0712","0.0911","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311421","33.213","0.002","33.213","0.002","16.0155","0.0018","90","","90","","120","","15300","2","223","2","223","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 I3 N10.5 Nd -","- C27 H31.5 I3 N10.5 Nd -","- C486 H567 I54 N189 Nd18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0793","0.0352","","","0.0647","0.1044","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311422","33.153","0.0012","33.153","0.0012","15.9643","0.0008","90","","90","","120","","15195.9","1.1","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 I3 N10.5 U -","- C27 H30 I3 N10.5 U -","- C486 H540 I54 N189 U18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0564","0.042","","","0.0881","0.1005","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312324","12.0606","0.0008","12.0606","0.0008","17.2786","0.0011","90","","90","","120","","2176.6","0.2","200","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","9-arsinyltriptycene","tribenzobarellenearsine","","- C20 H15 As -","- C20 H15.001 As -","- C120 H90.006 As6 -","6","0.333333","","Marcin Brynda; Gérald Bernardinelli; Cosmina Dutan; Michel Geoffroy","Kinetic Stabilization of Primary Hydrides of Main Group Elements. The Synthesis of an Air-Stable, Crystalline Arsine and Silane","Inorganic Chemistry","2003","42","","6586","6588","10.1021/ic034367r","","","0.71073","MoKα","","","0.033","","","","0.036","","","","","","1.76","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4314688","25.2262","0.0002","25.2262","0.0002","15.1963","0.0003","90","","90","","120","","8374.76","0.19","150","","150","","","","","","","","Allison Ross, ARVC(Cl)1","6","R 3 c :H","R 3 -2""c","161","","","","- C34 H84 N12 O19 S3 V3 -","- C34 H84 N12 O18.9999 S3 V3 -","- C204 H504 N72 O113.999 S18 V18 -","6","0.333333","","Allison Ross; Dinesh C. Soares; Danielle Covelli; Christophe Pannecouque; Laura Budd; Anna Collins; Neil Robertson; Simon Parsons; Erik De Clercq; Pierre Kennepohl; Peter J. Sadler","Oxovanadium(IV) Cyclam and Bicyclam Complexes: Potential CXCR4 Receptor Antagonists","Inorganic Chemistry","2010","49","","1122","1132","10.1021/ic9020614","","","0.71073","MoKα","","0.0447","0.0292","","0.0849","0.0721","0.0849","","","","","","0.9316","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314899","13.481","0.005","13.481","0.005","60.88","0.02","90","","90","","120","","9582","6","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C45 H75 Br2 Mn5 N24 O7 -","- C45 H75 Br2 Mn5 N24 O7 -","- C270 H450 Br12 Mn30 N144 O42 -","6","0.333333","","Patrick L. Feng; Casey J. Stephenson; Asma Ajmad; Gavin Ogawa; Enrique del Barco; David N. Hendrickson","Large Spin-State Changes in Isostructural Cyanate- and Azide-Bridged Mn3IIIMn2II Single-Molecule Magnets","Inorganic Chemistry","2010","49","","1304","1306","10.1021/ic902298y","","","0.71073","MoKα","","0.0322","0.0277","","","0.0678","0.0693","","","","","","1.033","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4314900","13.6691","0.0013","13.6691","0.0013","60.259","0.006","90","","90","","120","","9750.6","1.6","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C48 H81 Cl2 Mn5 N24 O7 -","- C48 H21 Cl2 Mn5 N24 O7 -","- C288 H126 Cl12 Mn30 N144 O42 -","6","0.333333","","Patrick L. Feng; Casey J. Stephenson; Asma Ajmad; Gavin Ogawa; Enrique del Barco; David N. Hendrickson","Large Spin-State Changes in Isostructural Cyanate- and Azide-Bridged Mn3IIIMn2II Single-Molecule Magnets","Inorganic Chemistry","2010","49","","1304","1306","10.1021/ic902298y","","","0.71073","MoKα","","0.0665","0.0589","","","0.1581","0.1625","","","","","","1.025","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4314901","13.4091","0.0017","13.4091","0.0017","61.213","0.008","90","","90","","120","","9532","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C51 H72 Cl2 Mn5 N12 O13 -","- C51 H72 Cl2 Mn5 N12 O13 -","- C306 H432 Cl12 Mn30 N72 O78 -","6","0.333333","","Patrick L. Feng; Casey J. Stephenson; Asma Ajmad; Gavin Ogawa; Enrique del Barco; David N. Hendrickson","Large Spin-State Changes in Isostructural Cyanate- and Azide-Bridged Mn3IIIMn2II Single-Molecule Magnets","Inorganic Chemistry","2010","49","","1304","1306","10.1021/ic902298y","","","0.71073","MoKα","","0.0431","0.0411","","","0.1181","0.1211","","","","","","1.066","","","","has coordinates","179229","2020-10-21","18:00:00",""
"4316406","38.4784","0.001","38.4784","0.001","8.7086","0.0002","90","","90","","120","","11166.4","0.5","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C14 H16 Np2 O12 -","- C14 H12 Np2 O12 -","- C252 H216 Np36 O216 -","18","1","","Iraida A. Charushnikova; Nikolai N. Krot; Vadim I. Makarenkov","Structure Determination of Neptunium(VI) μ3-Hydroxobenzoate, [(NpO2)2(μ3-OH)2(H5C6COO)2].2H2O","Inorganic Chemistry","2010","49","","7611","7613","10.1021/ic100951y","","","0.71073","MoKα","","0.0728","0.0553","","","0.138","0.1534","","","","","","1.062","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316489","13.1059","0.0006","13.1059","0.0006","29.3468","0.0017","90","","90","","120","","4365.4","0.4","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6 H21 Cu7 N4 S12 Sn4 -","- C6 H21 Cu7 N4 S12 Sn4 -","- C36 H126 Cu42 N24 S72 Sn24 -","6","0.333333","","Malte Behrens; Marie-Eve Ordolff; Christian Näther; Wolfgang Bensch; Klaus-Dieter Becker; Catherine Guillot-Deudon; Alain Lafond; Jason A. Cody","New Three-Dimensional Thiostannates Composed of Linked Cu8S12 Clusters and the First Example of a Mixed-Metal Cu7SnS12 Cluster","Inorganic Chemistry","2010","49","","8305","8309","10.1021/ic100688z","","","0.71073","MoKα","","0.0457","0.0441","","","0.1147","0.1161","","","","","","1.127","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4318966","26.127","0.002","26.127","0.002","15.5158","0.0019","90","","90","","120","","9172.4","1.5","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Zr(NMe2)2(NHMe2)(dpma)","","","- C17 H31 N6 Zr -","- C17 H31 N6 Zr -","- C306 H558 N108 Zr18 -","18","1","","Yahong Li; Angie Turnas; James T. Ciszewski; Aaron L. Odom","Group-4 η1-Pyrrolyl Complexes Incorporating N,N-Di(pyrrolyl-α-methyl)-N-methylamine","Inorganic Chemistry","2002","41","","6298","6306","10.1021/ic0259484","","","0.71073","MoKα","","0.0263","0.0257","","","0.0688","0.0693","","","","","","1.075","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4319355","28.7628","0.0003","28.7628","0.0003","33.2935","0.0007","90","","90","","120","","23853.5","0.6","293","2","293","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C48 H53 F6 Fe2 N2 O3 P2 Re -","- C48 H53 F6 Fe2 N2 O3 P2 Re -","- C864 H954 F108 Fe36 N36 O54 P36 Re18 -","18","1","","Otto Knoesen; Philippus L. Wessels; Helmar Görls; Simon Lotz","Structures of a Tetradentate Ferrocenyl Ligand and Its Oxorhenium(V) Complex in Solution and in the Solid State","Inorganic Chemistry","2001","40","","1199","1205","10.1021/ic000746y","","","0.71073","MoKα","","0.0375","0.035","","","0.093","0.0955","","","","","","1.002","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4320022","11.5153","0.0016","11.5153","0.0016","37.362","0.008","90","","90","","120","","4290.5","1.2","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","[Tris(tert-butyl-thioimidazolyl)borato-zinc-fluoride]","","","- C21 H34 B F N6 S3 Zn -","- C21 H34 B F N6 S3 Zn -","- C126 H204 B6 F6 N36 S18 Zn6 -","6","0.333333","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.2129","0.1453","","","0.3321","0.3812","","","","","","1.006","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320307","17.301","0.008","17.301","0.008","9.686","0.007","90","","90","","120","","2511","2","294","2","294","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H24 Cr N3 O6 -","- C12 H24 Cr N3 O6 -","- C72 H144 Cr6 N18 O36 -","6","0.333333","","Henrietta A. Headlam; Colin L. Weeks; Peter Turner; Trevor W. Hambley; Peter A. Lay","Dinuclear Chromium(V) Amino Acid Complexes from the Reduction of Chromium(VI) in the Presence of Amino Acid Ligands: XAFS Characterization of a Chromium(V) Amino Acid Complex","Inorganic Chemistry","2001","40","","5097","5105","10.1021/ic010377l","","","1.54178","CuKα","","0.1537","0.0365","","","0.0722","0.0931","","","","","","0.927","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4322252","21.011","0.003","21.011","0.003","13.39","0.003","90","","90","","120","","5119.2","1.5","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H63 N3 O18 W -","- C15 H63 N3 O18 W -","- C90 H378 N18 O108 W6 -","6","0.333333","","Murray V. Baker; Michael R. North; Brian W. Skelton; Allan H. White","Oxidations of (R3tach)M(CO)3 Complexes [M = Cr, Mo, W; R3tach = 1,3,5-Trialkyl-1,3,5-triazacyclohexane (R =t-Bu, Bn)]. Crystal Structures of (t-Bu3tach)MO3.15H2O (M = Mo, W)","Inorganic Chemistry","1999","38","","4515","4521","10.1021/ic990031z","","","0.71073","Mo-Kα","","0.044","0.022","","0.019","0.019","","","","2.916","3.541","3.541","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4322253","21.026","0.002","21.026","0.002","13.418","0.002","90","","90","","120","","5137.3","1","293","","293","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H63 Mo N3 O18 -","- C15 H45 Mo N3 O18 -","- C90 H270 Mo6 N18 O108 -","6","0.333333","","Murray V. Baker; Michael R. North; Brian W. Skelton; Allan H. White","Oxidations of (R3tach)M(CO)3 Complexes [M = Cr, Mo, W; R3tach = 1,3,5-Trialkyl-1,3,5-triazacyclohexane (R =t-Bu, Bn)]. Crystal Structures of (t-Bu3tach)MO3.15H2O (M = Mo, W)","Inorganic Chemistry","1999","38","","4515","4521","10.1021/ic990031z","","","0.71073","Mo-Kα","","0.042","0.028","","0.043","0.032","","","","4.328","3.747","3.747","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323387","11.8719","0.0012","11.8719","0.0012","37.051","0.003","90","","90","","120","","4522.4","0.7","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(Fluoro)[η^3^-hydrotris(3-tolyl-5-methylpyrazol-1-yl)borate]zinc(II)","","- C33 H34 B F N6 Zn -","- C33 H34 B F N6 Zn -","- C198 H204 B6 F6 N36 Zn6 -","6","0.333333","","Wolfgang Kläui; Uwe Schilde; Michael Schmidt","Fluoro[η3-hydrotris(3-R-5-methylpyrazol-1-yl)borato]zinc(II): The First TpZnF Complexes, Convenient Precursors to Zinc Hydride Complexes,","Inorganic Chemistry","1997","36","","1598","1601","10.1021/ic961249d","","","0.71073","MoKα","","0.0965","0.0425","","0.1271","0.0962","","","","","1.022","1.022","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4325583","45.586","0.004","45.586","0.004","21.7302","0.0017","90","","90","","120","","39107","6","173","2","173","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C76 H107 Cl4 N5 P4 Si4 U2 -","- C64 H79 Cl4 N5 P4 Si4 U2 -","- C1152 H1422 Cl72 N90 P72 Si72 U36 -","18","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0634","0.0444","","","0.0988","0.106","","","","","","0.959","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325676","28.649","0.003","28.649","0.003","20.48","0.003","90","","90","","120","","14557","3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C72 H120 Mo12 N18 O40 Si -","- C72 H126 Mo12 N18 O40 Si -","- C432 H756 Mo72 N108 O240 Si6 -","6","0.333333","","Tomoyuki Akutagawa; Fumito Kudo; Ryo Tsunashima; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura","Hydrogen-Bonded Assemblies of Two-Electron Reduced Mixed-Valence [XMo12O40] (X = P and Si) withp-Phenylenediamines","Inorganic Chemistry","2011","50","","6711","6718","10.1021/ic200683e","","","0.71075","MoKα","","","0.0271","","","","0.0755","","","","","","1.11","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4326359","41.8983","0.0016","41.8983","0.0016","7.197","0.0004","90","","90","","120","","10941.5","0.8","120","2","120","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C12 H34 Cl2 Ga2 N2 O Si2 -","- C12 H34 Cl2 Ga2 N2 O Si2 -","- C216 H612 Cl36 Ga36 N36 O18 Si36 -","18","1","","Caroline E. Knapp; David Pugh; Paul F. McMillan; Ivan P. Parkin; Claire J. Carmalt","Synthetic and Structural Studies of Donor-Functionalized Alkoxy Derivatives of Gallium","Inorganic Chemistry","2011","50","","9491","9498","10.1021/ic201167r","","","0.71073","MoKα","","0.1065","0.0855","","","0.1559","0.1645","","","","","","1.132","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4328178","18.2954","0.0005","18.2954","0.0005","17.2795","0.001","90","","90","","120","","5008.9","0.3","150","2","150","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 I N3 Si6 U -","- C18 H54 I N3 Si6 U -","- C108 H324 I6 N18 Si36 U6 -","6","0.333333","","Skye Fortier; Jessie L. Brown; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton","Synthesis, Molecular and Electronic Structure of UV(O)[N(SiMe3)2]3","Inorganic Chemistry","2012","51","","1625","1633","10.1021/ic201936j","","","0.71073","MoKα","","0.0339","0.0281","","","0.0803","0.0839","","","","","","1.079","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4330907","23.322","0.003","23.322","0.003","6.8385","0.0016","90","","90","","120","","3221.2","1","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Eu Ge Na1.515 S4 -","- Eu Ge Na1.52 S4 -","- Eu18 Ge18 Na27.36 S72 -","18","1","","Amitava Choudhury; Fernande Grandjean; Gary J. Long; Peter K. Dorhout","Na1.515EuGeS4, A Three-Dimensional Crystalline Assembly of Empty Nanotubules Constructed with Europium(II/III) Mixed Valence Ions","Inorganic Chemistry","2012","51","","11779","11786","10.1021/ic301724v","","","0.71073","MoKα","","0.0737","0.0525","","","0.107","0.1127","","","","","","1.016","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4333421","11.982","0.0004","11.982","0.0004","47.0659","0.0013","90","","90","","120","","5851.9","0.3","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H54 Cl N9 O13 Zn2 -","- C30 H54 Cl N9 O13 Zn2 -","- C180 H324 Cl6 N54 O78 Zn12 -","6","0.333333","","Chaudhuri, Phalguni; Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Biswas, Biplab; Bothe, Eberhard; Bill, Eckhard","Tridentate Facial Ligation of Tris(pyridine-2-aldoximato)nickel(II) and Tris(imidazole-2-aldoximato)nickel(II) To Generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiIIand the Electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIIISpecies: A Magnetostructural, Electrochemical, and EPR Spectroscopic Study","Inorganic Chemistry","2007","46","21","9003","9016","10.1021/ic701073j","","","1.54178","CuKα","","0.0526","0.0523","","","0.1401","0.1406","","","","","","1.076","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4334464","24.2071","0.0014","24.2071","0.0014","24.61","0.002","90","","90","","120","","12489","1.4","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(chlorido)-{κ^2^ C,N-3-isopropyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-{κ^3^ N,N',N''-tris(pirazolyl)borate}-ruthenium(II) 0.79 dichloromethane solvate","","- C21.79 H26.58 B Cl2.58 N9 Ru -","- C21.793 H26.586 B Cl2.586 N9 Ru -","- C392.274 H478.548 B18 Cl46.548 N162 Ru18 -","18","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0452","0.0422","","","0.1075","0.109","","","","","","0.992","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4335113","13.6577","0.0012","13.6577","0.0012","45.745","0.004","90","","90","","120","","7389.7","1.1","100","2","100","2","","","","","","","","9","R 3 c :H","R 3 -2""c","161","","","","- C49 H47 B Cl2 F4 N6 Ni3 O S3 -","- C48.99 H46.98 B Cl1.98 F3.34 N6 Ni3 O S3 -","- C293.94 H281.88 B6 Cl11.88 F20.04 N36 Ni18 O6 S18 -","6","0.333333","","Dan Yuan; Han Vinh Huynh","A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","6627","6634","10.1021/ic400672z","","","0.71073","MoKα","","0.0521","0.0486","","","0.1235","0.1261","","","","","","1.121","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4336458","33.7355","0.0011","33.7355","0.0011","17.8948","0.0007","90","","90","","120","","17637.3","1.1","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C96 H141 Mn12 N9 O42 -","- C96 H141 Mn12 N9 O42 -","- C576 H846 Mn72 N54 O252 -","6","0.333333","","Sotiris Zartilas; Constantina Papatriantafyllopoulou; Theocharis C. Stamatatos; Vassilios Nastopoulos; Eduard Cremades; Eliseo Ruiz; George Christou; Christos Lampropoulos; Anastasios J. Tasiopoulos","A MnII6MnIII6 Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies","Inorganic Chemistry","2013","52","","12070","12079","10.1021/ic401872c","","","0.71073","MoKα","","0.0663","0.0385","","","0.0639","0.0792","","","","","","1.087","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336580","35.053","0.0007","35.053","0.0007","21.4741","0.0008","90","","90","","120","","22850.5","1.1","173","2","173","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C44 H48.67 Co1.33 F12 N8 O13.33 P2 -","- C44 H46 Co1.33333 F12 N8 O13.3333 P2 -","- C792 H828 Co24 F216 N144 O240 P36 -","18","1","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.1285","0.0492","","","0.0533","0.0636","","","","","","0.823","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336775","5.57973","0.00002","5.57973","0.00002","13.87208","0.00004","90","","90","","120","","374.023","0.002","295","","295","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","bismuth ferrite","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336776","5.57174","0.00002","5.57174","0.00002","13.83512","0.00004","90","","90","","120","","371.959","0.002","10","","10","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","bismuth ferrite","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336777","5.55507","0.00002","5.55507","0.00002","13.77001","0.00004","90","","90","","120","","367.997","0.002","295","","295","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Co-doped bismuth ferrite","","","- Bi Co0.2 Fe0.8 O3 -","- Bi Co0.2 Fe0.8 O3 -","- Bi6 Co1.2 Fe4.8 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336778","5.54216","0.00002","5.54216","0.00002","13.71829","0.00004","90","","90","","120","","364.912","0.002","10","","10","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Bismuth ferrite","","","- Bi Fe O3 -","- Bi Co0.2 Fe O3 -","- Bi6 Co1.2 Fe6 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4337373","20.302","0.002","20.302","0.002","46.497","0.005","90","","90","","120","","16597","3","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C114 H84 Cu3 I3 N6 P6 -","- C114 H84 Cu3 I3 N6 P6 -","- C684 H504 Cu18 I18 N36 P36 -","6","0.333333","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.","Inorganic chemistry","2014","53","3","1370","1381","10.1021/ic402150k","","","0.71073","MoKα","","0.114","0.0758","","","0.2022","0.2288","","","","","","1.097","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337537","31.074","0.012","31.074","0.012","13.293","0.005","90","","90","","120","","11116","7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","fac-trichlorotris(trimethylphosphine)tungsten(III)","","- C9 H27 Cl3 P3 W -","- C9 H27 Cl3 P3 W -","- C216 H648 Cl72 P72 W24 -","24","1.33333","","Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.","Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.","Inorganic chemistry","2014","53","1","308","317","10.1021/ic402246d","","","0.71073","MoKα","","0.0541","0.0401","","","0.0806","0.087","","","","","","1.027","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4338265","10.64982","0.00025","10.64982","0.00025","38.7871","0.001","90","","90","","120","","3809.8","0.16","300","","300","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca32.24 Eu2.11 O168 P42 Sr28.67 -","- Ca32.238 Eu2.0976 O168 P42 Sr28.668 -","- Ca32.238 Eu2.0976 O168 P42 Sr28.668 -","1","0.0555556","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Fang, Minghao; Huang, Saifang","New Yellow-Emitting Whitlockite-type Structure Sr1.75Ca1.25(PO4)2:Eu(2+) Phosphor for Near-UV Pumped White Light-Emitting Devices.","Inorganic chemistry","2014","53","10","5129","5135","10.1021/ic500230v","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.47","1.334","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338669","18.2415","0.001","18.2415","0.001","17.1784","0.001","90","","90","","120","","4950.3","0.5","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Ce I N3 Si6 -","- C18 H54 Ce I N3 Si6 -","- C108 H324 Ce6 I6 N18 Si36 -","6","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","","0.0085","0.0083","","","0.0228","0.023","","","","","","1.078","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338874","21.949","0.007","21.949","0.007","20.22","0.005","90","","90","","120","","8436","4","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C16 H19 Ag N3 O4.5 S -","- C16 H16 Ag N3 O4.5 S -","- C288 H288 Ag18 N54 O81 S18 -","18","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71069","MoKα","","0.0342","0.0312","","","0.0869","0.0888","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338875","21.902","0.003","21.902","0.003","20.776","0.004","90","","90","","120","","8631","2","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C17 H22 Ag N3 O5 S -","- C17 H22 Ag N3 O5 S -","- C306 H396 Ag18 N54 O90 S18 -","18","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71073","MoKα","","0.0464","0.0371","","","0.0768","0.0796","","","","","","1.079","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4339125","33.8468","0.0003","33.8468","0.0003","24.395","0.0004","90","","90","","120","","24202.9","0.5","123.1","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C51 H69 Cl3 N6 Zn3 -","- C51 H69 Cl3 N6 Zn3 -","- C918 H1242 Cl54 N108 Zn54 -","18","1","","Cipot-Wechsler, Judy; Ali, Adeeb Al-Sheikh; Chapman, Erin E.; Cameron, T. Stanley; Thompson, Alison","Synthesis and reactivity of a dipyrrinatolithium complex.","Inorganic chemistry","2007","46","26","10947","10949","10.1021/ic701369h","","","0.7107","MoKα","","","0.0335","","","","0.0363","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339483","15.453","0.004","15.453","","38.06","0.01","90","","90","","120","","7871","3","100","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C41 H35 Cl6 Mn3 N12 Ni O10 -","- C39 H33 Mn3 N12 Ni O10 -","- C234 H198 Mn18 N72 Ni6 O60 -","6","0.333333","","Feng, Patrick L.; Beedle, Christopher C.; Wernsdorfer, Wolfgang; Koo, Changhyun; Nakano, Motohiro; Hill, Stephen; Hendrickson, David N.","Heterometallic cubane single-molecule magnets.","Inorganic chemistry","2007","46","20","8126","8128","10.1021/ic7012107","","","0.71073","MoKα","","0.0394","0.0367","","","0.099","0.1002","","","","","","1.09","","","","has coordinates","259049","2020-11-09","02:04:48",""
"4339484","14.744","0.002","14.744","","35.186","0.005","90","","90","","120","","6624.2","1.3","208","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C29 H35 Cl6 Mn3 N12 O10 Zn -","- C27 H33 Mn3 N12 O10 Zn -","- C162 H198 Mn18 N72 O60 Zn6 -","6","0.333333","","Feng, Patrick L.; Beedle, Christopher C.; Wernsdorfer, Wolfgang; Koo, Changhyun; Nakano, Motohiro; Hill, Stephen; Hendrickson, David N.","Heterometallic cubane single-molecule magnets.","Inorganic chemistry","2007","46","20","8126","8128","10.1021/ic7012107","","","0.71073","MoKα","","0.0507","0.047","","","0.1191","0.1212","","","","","","1.038","","","","has coordinates","259049","2020-11-09","02:04:48",""
"4339766","15.483","0.005","15.483","0.005","19.378","0.008","90","","90","","120","","4023","2","293","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Hafnium","Hafnium tris(amid) Trimethylsilyl silide","","- C15 H45 Hf N3 Si4 -","- C15 H45 Hf N3 Si4 -","- C90 H270 Hf6 N18 Si24 -","6","0.333333","","Cai, Hu; Yu, Xianghua; Chen, Shujian; Qiu, He; Guzei, Ilia A.; Xue, Zi-Ling","Amide-silyl ligand exchanges and equilibria among group 4 amide and silyl complexes.","Inorganic chemistry","2007","46","19","8071","8078","10.1021/ic7010293","","","0.71073","MoKα","","0.0567","0.049","","","0.135","0.1655","","","","","","1.178","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4340699","26.902","0.004","26.902","0.004","30.673","0.006","90","","90","","120","","19225","6","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C30 H28 Fe N6 O2 Se9 Sn4 -","- C30 H24 Fe N6 O2 Se9 Sn4 -","- C540 H432 Fe18 N108 O36 Se162 Sn72 -","18","1","","Tang, Chunying; Wang, Fang; Lu, Jialin; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Novel One-, Two-, and Three-Dimensional Selenidostannates Templated by Iron(II) Complex Cation.","Inorganic chemistry","2014","53","17","9267","9273","10.1021/ic501381v","","","0.71073","MoKα","","0.0441","0.0406","","","0.0872","0.0991","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341174","10.50087","0.00039","10.50087","0.00039","37.6282","0.0016","90","","90","","120","","3593.3","0.2","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca1.25 O4 P Sr0.25 -","- Ca1.25029 O4 P Sr0.249714 -","- Ca52.512 O168 P42 Sr10.488 -","42","2.33333","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Huang, Saifang","Cation Substitution Dependent Bimodal Photoluminescence in Whitlockite Structural Ca3-xSrx(PO4)2:Eu(2+) (0 ≤ x ≤ 2) Solid Solution Phosphors.","Inorganic chemistry","2014","53","20","11119","11124","10.1021/ic501679f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.64","1.743","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4341175","10.44817","0.00027","10.44817","0.00027","37.4086","0.0011","90","","90","","120","","3536.57","0.17","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca1.45 O4 P Sr0.05 -","- Ca1.45006 O4 P Sr0.0499429 -","- Ca60.9024 O168 P42 Sr2.0976 -","42","2.33333","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Huang, Saifang","Cation Substitution Dependent Bimodal Photoluminescence in Whitlockite Structural Ca3-xSrx(PO4)2:Eu(2+) (0 ≤ x ≤ 2) Solid Solution Phosphors.","Inorganic chemistry","2014","53","20","11119","11124","10.1021/ic501679f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.66","1.689","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4341176","10.47574","0.00041","10.47574","0.00041","37.4923","0.0015","90","","90","","120","","3563.2","0.2","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca62.13 O168 P42 Sr6.27 -","- Ca62.1072 O168 P42 Sr6.2928 -","- Ca62.1072 O168 P42 Sr6.2928 -","1","0.0555556","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Huang, Saifang","Cation Substitution Dependent Bimodal Photoluminescence in Whitlockite Structural Ca3-xSrx(PO4)2:Eu(2+) (0 ≤ x ≤ 2) Solid Solution Phosphors.","Inorganic chemistry","2014","53","20","11119","11124","10.1021/ic501679f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.08","1.83","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4341465","11.857","","11.857","","12.564","","90","","90","","120","","1529.71","","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 Eu3 N6 O6 -","- C6 Eu3 N6 O6 -","- C36 Eu18 N36 O36 -","6","0.333333","","Kalmutzki, Markus; Stroebele, Markus; Wackenhut, Frank; Meixner, Alfred; Meyer, Hans-Juergen","Synthesis and SHG Properties of Two New Cyanurates: Sr3(O3C3N3)2 (SCY) and Eu3(O3C3N3)2 (ECY).","Inorganic chemistry","2014","","","141107143734000","","10.1021/ic502035b","","","0.71073","MoKα","","0.0379","0.0351","","","0.0831","0.0842","","","","","","1.065","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4341466","11.862","","11.862","","12.698","","90","","90","","120","","1547.33","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 N6 O6 Sr3 -","- C6 N6 O6 Sr3 -","- C36 N36 O36 Sr18 -","6","0.333333","","Kalmutzki, Markus; Stroebele, Markus; Wackenhut, Frank; Meixner, Alfred; Meyer, Hans-Juergen","Synthesis and SHG Properties of Two New Cyanurates: Sr3(O3C3N3)2 (SCY) and Eu3(O3C3N3)2 (ECY).","Inorganic chemistry","2014","","","141107143734000","","10.1021/ic502035b","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4342607","18.4684","0.0006","18.4684","0.0006","16.9719","0.001","90","","90","","120","","5013.3","0.4","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C19 H54 N4 Si6 U -","- C19 H54 N4 Si6 U -","- C114 H324 N24 Si36 U6 -","6","0.333333","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0753","0.0381","","","0.0716","0.0793","","","","","","0.936","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342608","18.4359","0.0003","18.4359","0.0003","16.9152","0.0004","90","","90","","120","","4978.93","0.16","150","2","150","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl N3 Si6 U -","- C18 H54 Cl N3 Si6 U -","- C108 H324 Cl6 N18 Si36 U6 -","6","0.333333","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0334","0.0278","","","0.0715","0.0736","","","","","","1.064","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342697","22.351","0.001","22.351","0.001","13.773","0.001","90","","90","","120","","5958.7","0.6","293","","293","","","","","","","","synthesis as described","4","R 3 c :H","R 3 -2""c","161","La(IO3)3(HIO3)1.33","","","- H1.333 I4.333 La O13 -","- I4.33333 La O13 -","- I78 La18 O234 -","18","1","","Taouti, Mohamed B.; Suffren, Yan; Leynaud, Olivier; Benbertal, Djamal; Brenier, Alain; Gautier-Luneau, Isabelle","Structures, Thermal Behaviors, and Luminescent Properties of Anhydrous Lanthanum Iodate Polymorphs","Inorganic Chemistry","2015","","","150319112239005","","10.1021/acs.inorgchem.5b00187","","x-ray","0.56087","AgKα","","0.0402","0.0382","","","0.0959","0.0977","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343918","9.4577","","9.4577","","23.455","","90","","90","","120","","1816.93","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","La (V O2)3 (Te O6) (H2 O)3","","- H6 La O15 Te V3 -","- La O15 Te V3 -","- La6 O90 Te6 V18 -","6","0.333333","","Sivakumar, T.; Ok, K.M.; Halasyamani, P.S.","Synthesis, structure, and characterization of novel two- and three-dimensional vanadates: Ba2.5 (V O2)3 (Se O3)4 . H2 O and La (V O2)2 (Te O6) . 3H2 O","Inorganic Chemistry","2006","45","","3602","3605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344388","5.176","","5.176","","13.81","","90","","90","","120","","320.415","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","(Li1.2 Cu.8) Ta2 O6","","- Cu0.8 Li1.2 O6 Ta2 -","- Cu0.8 Li1.2 O6 Ta2 -","- Cu2.4 Li3.6 O18 Ta6 -","3","0.166667","","Kumada, N.; Hosoda, S.; Kinomura, N.; Muto, F.","A new lithium insertion compound, (Li, Cu) Ta O3, with the Li Nb O3 type structure","Inorganic Chemistry","1989","28","","3592","3595","","","","","","","","","","","","","","","","","","","","","","has coordinates","169598","2020-10-21","18:00:00",""
"4345403","21.95","0.0003","21.95","0.0003","13.442","0.0003","90","","90","","120","","5608.72","0.17","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","iodide iodate","","","- Ag4 Bi3 I13 O36 -","- Ag4 Bi3 I13 O36 -","- Ag24 Bi18 I78 O216 -","6","0.333333","","Belokoneva, Elena L.; Stefanovich, Sergey Yu; Dimitrova, Olga V.; Karamysheva, Alina S.; Volkov, Anatoly S.","Iodide-Iodates M3[IO3]12·Ag4I, M = Bi, Tb, with a Framework Structure and High Second-Harmonic Generation Optical Response.","Inorganic chemistry","2017","56","3","1186","1192","10.1021/acs.inorgchem.6b02191","","","0.71073","MoKα","","0.0423","0.0362","","","0.0736","0.077","","","","","","1.119","","","","has coordinates","192962","2020-10-21","18:00:00",""
"4348059","48.832","0.002","48.832","0.002","8.4834","0.0006","90","","90","","120","","17519","1.6","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 K N O12 S2 Sm -","- C14 H6 K O11 S2 Sm -","- C252 H108 K18 O198 S36 Sm18 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0961","0.0974","","","","","","1.009","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348060","48.7999","0.0003","48.7999","0.0003","8.4529","0.0001","90","","90","","120","","17433.1","0.3","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 Eu K N O12 S2 -","- C14 H6 Eu K O11 S2 -","- C252 H108 Eu18 K18 O198 S36 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","","0.71073","MoKα","","0.0312","0.029","","","0.079","0.0808","","","","","","1.003","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348061","48.884","0.002","48.884","0.002","8.5632","0.0006","90","","90","","120","","17721.5","1.6","296","2","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C17 H15 K N O12 Pr S2 -","- C17 H6 K N O12 Pr S2 -","- C306 H108 K18 N18 O216 Pr18 S36 -","18","1","","Zhou, Li-Juan; Deng, Wei-Hua; Wang, Yu-Ling; Xu, Gang; Yin, Shun-Gao; Liu, Qing-Yan","Lanthanide-Potassium Biphenyl-3,3'-disulfonyl-4,4'-dicarboxylate Frameworks: Gas Sorption, Proton Conductivity, and Luminescent Sensing of Metal Ions.","Inorganic chemistry","2016","55","12","6271","6277","10.1021/acs.inorgchem.6b00928","","","0.71073","MoKα","","0.0358","0.0337","","","0.0912","0.0937","","","","","","1.006","","","","has coordinates","232715","2020-10-21","18:00:00",""
"4348212","38.9881","0.001","38.9881","0.001","22.2962","0.0011","90","","90","","120","","29351.2","1.8","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C33 H34 Mn2 N4 O11 -","- C33 H15 Mn2 N4 O11 -","- C594 H270 Mn36 N72 O198 -","18","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0967","0.0445","","","0.068","0.073","","","","","","1.01","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4348504","26.3296","0.0016","26.3296","0.0016","23.314","0.003","90","","90","","120","","13997","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C54 H96 Cr4 Mn3 N6 O54 -","- C48 H72 Cr4 Mn3 N6 O48 -","- C288 H432 Cr24 Mn18 N36 O288 -","6","0.333333","","Mon, Marta; Grancha, Thais; Verdaguer, Michel; Train, Cyrille; Armentano, Donatella; Pardo, Emilio","Solvent-Dependent Self-Assembly of an Oxalato-Based Three-Dimensional Magnet Exhibiting a Novel Architecture.","Inorganic chemistry","2016","55","14","6845","6847","10.1021/acs.inorgchem.6b01256","","","0.71073","MoKα","","0.0367","0.0348","","","0.0977","0.0994","","","","","","1.036","","","","has coordinates","233028","2020-10-21","18:00:00",""
"4349044","23.189","0.003","23.189","0.003","20.121","0.002","90","","90","","120","","9370","2","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","[(PyMa)Ni(Mes)Cl]","","","- C21 H21 Cl N2 Ni -","- C21 H21 Cl N2 Ni -","- C378 H378 Cl18 N36 Ni18 -","18","1","","Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel","Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?","Inorganic chemistry","2016","55","24","12716","12727","10.1021/acs.inorgchem.6b01874","","","0.71073","MoKα","","0.2137","0.0704","","","0.1602","0.1937","","","","","","0.73","","","","has coordinates","233557","2020-10-21","18:00:00",""
"4349603","13.254","0.0006","13.254","0.0006","30.366","0.003","90","","90","","120","","4619.7","0.5","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C4.5 H0 Cu5.25 Ge3 N3 Se9.75 -","- C4.5 Cu5.25 Ge3 N3 Se9.75 -","- C36 Cu42 Ge24 N24 Se78 -","8","0.444444","","Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao","PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster","Inorganic Chemistry Frontiers","2017","4","2","387","","10.1039/C6QI00482B","","","0.71073","MoKα","","0.0163","0.0149","","","0.0363","0.037","","","","","","1.176","","","","has coordinates","234913","2020-10-21","18:00:00",""
"4501315","5.5635","0.0012","5.5635","0.0012","13.835","0.004","90","","90","","120","","370.86","0.16","296.1","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Ito, Toshimitsu; Ushiyama, Tomoharu; Yanagisawa, Yuji; Kumai, Reiji; Tomioka, Yasuhide","Growth of Highly Insulating Bulk Single Crystals of Multiferroic BiFeO3and Their Inherent Internal Strains in the Domain-Switching Process","Crystal Growth & Design","2011","11","11","5139","","10.1021/cg201068m","","","0.93868","synchrotron","","","0.0286","","","","0.0852","","","","","","1.249","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501713","15.1785","0.0007","15.1785","0.0007","39.085","0.003","90","","90","","120","","7798.3","0.8","90","2","90","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C30 H12 O13 Zn4 -","- C30 O13 Zn4 -","- C180 O78 Zn24 -","6","0.333333","","Chen, Zhenxia; Xiang, Shengchang; Liao, Tengbiao; Yang, Yongtai; Chen, Yu-Sheng; Zhou, Yaming; Zhao, Dongyuan; Chen, Banglin","A New Multidentate Hexacarboxylic Acid for the Construction of Porous Metal−Organic Frameworks of Diverse Structures and Porosities","Crystal Growth & Design","2010","10","6","2775","","10.1021/cg100316s","","","0.71073","MoKα","","0.1406","0.116","","","0.3012","0.3203","","","","","","1.158","","","","has coordinates,has disorder","179548","2020-10-21","18:00:00",""
"4501714","22.602","0.003","22.602","0.003","39.721","0.008","90","","90","","120","","17573","5","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C40.5 H39 N3 O16.5 Zn3 -","- C40.5 H37.5 N3 O16.5 Zn3 -","- C486 H450 N36 O198 Zn36 -","12","0.666667","","Chen, Zhenxia; Xiang, Shengchang; Liao, Tengbiao; Yang, Yongtai; Chen, Yu-Sheng; Zhou, Yaming; Zhao, Dongyuan; Chen, Banglin","A New Multidentate Hexacarboxylic Acid for the Construction of Porous Metal−Organic Frameworks of Diverse Structures and Porosities","Crystal Growth & Design","2010","10","6","2775","","10.1021/cg100316s","","","0.71073","MoKα","","0.0516","0.0453","","","0.1137","0.1164","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501935","28.5972","0.0006","28.5972","0.0006","8.7442","0.0005","90","","90","","120","","6193","0.4","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C22 H16 Mn2 N4 O10 -","- C22 H16 Mn2 N4 O10 -","- C198 H144 Mn18 N36 O90 -","9","0.5","","Wang, Wenyue; Niu, Xiling; Gao, Yongchao; Zhu, Yanyan; Li, Gang; Lu, Huijie; Tang, Mingsheng","One Chiral and Two Achiral 3-D Coordination Polymers Constructed by 2-Phenyl Imidazole Dicarboxylate","Crystal Growth & Design","2010","10","9","4050","","10.1021/cg100736x","","","0.71073","MoKα","","0.1059","0.0515","","","0.0706","0.0767","","","","","","0.879","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4503364","12.2069","0.0005","12.2069","0.0005","25.324","0.002","90","","90","","120","","3267.9","0.3","130","2","130","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Cu H24 Mn3 Na O24 S4 -","- Cu H24 Mn3 Na O24 S4 -","- Cu6 H144 Mn18 Na6 O144 S24 -","6","0.333333","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0296","0.0293","","","0.0649","0.065","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505003","14.6255","0.0015","14.6255","0.0015","18.848","0.003","90","","90","","120","","3491.5","0.8","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H15 Cl6 N6 Sb -","- C18 H15 Cl6 N6 Sb -","- C108 H90 Cl36 N36 Sb6 -","6","0.333333","","Podesta, Thomas J.; Orpen, A. Guy","Tris(Pyridinium)Triazine in Crystal Synthesis of 3-Fold Symmetric Structures","Crystal Growth & Design","2005","5","2","681","","10.1021/cg049783g","","","0.71073","MoKα","","0.0322","0.0254","","","0.0489","0.0506","","","","","","0.991","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4508286","46.2653","0.0005","46.2653","0.0005","15.95404","0.00018","90","","90","","120","","29574.1","0.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C40 H54 Mn4 N2 O22 -","- C40 H54 Mn4 N2 O22 -","- C720 H972 Mn72 N36 O396 -","18","1","","Dulcevscaia, Galina; Liu, Shi-Xia; Hauser, Jörg; Krämer, Karl W.; Frei, Gabriela; Müller, Andreas; Decurtins, Silvio","A Benzaldehyde Derivative as a Chelating Ligand: Helical Manganese(II) Coordination Polymers Assembling into a Porous Solid","Crystal Growth & Design","2013","13","9","4138","","10.1021/cg400972k","","","0.71073","MoKα","","0.0623","0.0503","","","0.1294","0.1355","","","","","","1.091","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508468","30.072","0.0007","30.072","0.0007","7.037","0.0002","90","","90","","120","","5511.2","0.2","294","2","294","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","CmmOMe","3-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C234 H216 N36 O54 -","18","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.0333","0.0311","","","0.0797","0.0817","","","","","","1.066","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508876","17.6686","0.0001","17.6686","0.00001","32.0818","0.0006","90","","90","","120","","8673.49","0.17","170","2","170","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C396 H360 O108 -","18","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.1267","0.0787","","","0.1953","0.2375","","","","","","1.092","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508877","17.112","0.0003","17.112","0.0003","33.4225","0.0012","90","","90","","120","","8475.6","0.4","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C27 H19 O6.5 -","- C27 H18.99 O6.495 -","- C324 H227.88 O77.94 -","12","0.666667","","Pigge, F. Christopher; Dighe, Mayuri K.; Rath, Nigam P.","Self-Assembly of Sticky TABs: Inclusion Complexes and Hydrates from 1,3,5-Tris(4-hydroxybenzoyl)benzene","Crystal Growth & Design","2006","6","12","2732","","10.1021/cg0604226","","","0.71073","MoKα","","0.0555","0.0454","","","0.1272","0.1356","","","","","","1.061","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4509209","14.149","0.002","14.149","0.002","15.55","0.003","90","","90","","120","","2696","0.7","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C18 H27 N3 O3 -","- C18 H27 N3 O3 -","- C108 H162 N18 O18 -","6","0.333333","","Jiménez, Claudio A.; Belmar, Julio B.; Ortíz, Leandro; Hidalgo, Paulina; Fabelo, Oscar; Pasán, Jorge; Ruiz-Pérez, Catalina","Influence of the Aliphatic Wrapping in the Crystal Structure of Benzene Tricarboxamide Supramolecular Polymers","Crystal Growth & Design","2009","9","12","4987","","10.1021/cg801054e","","x-ray","0.71073","MoKα","","0.0678","0.063","","","0.1727","0.1784","","","","","","1.119","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4513145","20.1157","0.0005","20.1157","0.0005","59.6452","0.0018","90","","90","","120","","20901.5","1","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C72 H72 B8 Cu6 I3 N48 -","- C72 H72 B8 Cu6 I3 N48 -","- C432 H432 B48 Cu36 I18 N288 -","6","0.333333","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","0.71073","MoKα","","0.1054","0.0659","","","0.1516","0.1692","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4518713","16.3451","0.0006","16.3451","0.0006","80.409","0.003","90","","90","","120","","18604.2","1.2","173","2","173","2","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C53 H36 -","- C53 H36 -","- C954 H648 -","18","1","","Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh","Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space","ACS Central Science","2021","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.0631","0.0453","","","0.1071","0.1148","","","","","","0.93","","","","has coordinates,has disorder","265187","2021-05-13","21:37:33",""
"4519087","27.177","0.004","27.177","0.004","11.273","0.002","90","","90","","120","","7211","2","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C14 H12 N4 O5 Zn -","- C14 H12 N4 O5 Zn -","- C252 H216 N72 O90 Zn18 -","18","1","","Zhang, You; Wang, Juping; Zhao, Shuai; Serdechnova, Maria; Blawert, Carsten; Wang, Hao; Zheludkevich, Mikhail L.; Chen, Fei","Double-Ligand Strategy to Construct an Inhibitor-Loaded Zn-MOF and Its Corrosion Protection Ability for Aluminum Alloy 2A12.","ACS applied materials & interfaces","2021","13","43","51685","51694","10.1021/acsami.1c13738","","","0.71073","MoKα","","0.1121","0.0792","","","0.1214","0.1308","","","","","","1.13","","","","has coordinates","270226","2021-11-03","20:02:45",""
"5900015","11.44","","11.44","","13.49","","90","","90","","120","","1528.95","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Acetamide","","- C2 H5 N O -","- C2 H5 N O -","- C36 H90 N18 O18 -","18","1","","","","J. Am. Chem. Soc.","1940","62","","2008","","10.1021/ja01865a029","","","","","","","","","","","","","","","","","","","","","has coordinates","296823","2024-12-10","16:38:23",""
"6000541","8.1241","","8.1241","","24.0818","","90","","90","","120","","1376.48","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Cl3 O12 Yb -","","","6","0.333333","","Favier, F.; Pascal, J. L.; Cunin, F.; Fitch, A. N.; Vaughan, G.","Thermal behavior and X-ray powder diffraction structures of two polymorphic phases of anhydrous Yb(ClO4)(3)","Inorganic Chemistry","1998","37","","1776","1780","10.1021/ic9712683","","","","","","","","","","","","","","","","","","","","","","203909","2020-10-21","18:00:00",""
"7002647","19.5188","0.0015","19.5188","0.0015","50.368","0.004","90","","90","","120","","16618","2","150","","150","","","","","","","","Ross Inglis, RI1737","6","R 3 c :H","R 3 -2""c","161","","","","- C54 H66 Cl Mn3 N6 O11 -","- C54 H66 Cl Mn3 N6 O11 -","- C648 H792 Cl12 Mn36 N72 O132 -","12","0.666667","","Inglis, Ross; Taylor, Stephanie M.; Jones, Leigh F.; Papaefstathiou, Giannis S.; Perlepes, Spyros P.; Datta, Saiti; Hill, Stephen; Wernsdorfer, Wolfgang; Brechin, Euan K.","Twisting, bending, stretching: strategies for making ferromagnetic [MnIII3] triangles","Dalton Transactions","2009","","42","9157","","10.1039/b911820a","","","0.71073","MoKα","","0.0443","0.0384","","0.0825","0.0789","0.0825","","","","","","0.7379","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003226","24.013","0.002","24.013","0.002","14.319","0.002","90","","90","","120","","7150.5","1.3","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H39 Ag3 Cl3 N9 O18 -","- C36 H39 Ag3 Cl3 N9 O18 -","- C216 H234 Ag18 Cl18 N54 O108 -","6","0.333333","","Huang, Yong-Qing; Shen, Zhong-Liang; Okamura, Taka-aki; Wang, Yan; Wang, Xiao-Feng; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Silver(i) complexes with oxazoline-containing tripodal ligands: structure variation via counter anions and reaction conditions","Dalton Transactions","2008","","2","204","213","10.1039/b714502k","","","0.71073","MoKα","","0.0869","0.0769","","","0.1855","0.1916","","","","","","1.196","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7003617","23.2455","0.0008","23.2455","0.0008","23.7519","0.0015","90","","90","","120","","11114.9","0.9","150","2","150","2","","","","","","","Ian Gass IAG779b","5","R 3 c :H","R 3 -2""c","161","","","","- C57 H93 Fe8 N7 O30 -","- C57 H81 Fe8 N7 O30 -","- C342 H486 Fe48 N42 O180 -","6","0.333333","","Gass, Ian A.; Milios, Constantinos J.; Collins, Anna; White, Fraser J.; Budd, Laura; Parsons, Simon; Murrie, Mark; Perlepes, Spyros P.; Brechin, Euan K.","Polymetallic clusters of iron(iii) with derivatised salicylaldoximes","Dalton Transactions","2008","","15","2043","2053","10.1039/b717534e","","","0.71073","MoKα","","0.0522","0.0422","","","0.1041","0.1103","","","","","","1.082","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7003618","23.3194","0.0007","23.3194","0.0007","23.8317","0.0017","90","","90","","120","","11223.3","0.9","150","2","150","2","","","","","","","Ian Gass","5","R 3 c :H","R 3 -2""c","161","","","","- C60 H99 Fe8 N7 O30 -","- C60 H99 Fe8 N7 O30 -","- C360 H594 Fe48 N42 O180 -","6","0.333333","","Gass, Ian A.; Milios, Constantinos J.; Collins, Anna; White, Fraser J.; Budd, Laura; Parsons, Simon; Murrie, Mark; Perlepes, Spyros P.; Brechin, Euan K.","Polymetallic clusters of iron(iii) with derivatised salicylaldoximes","Dalton Transactions","2008","","15","2043","2053","10.1039/b717534e","","","0.71073","MoKα","","0.0677","0.0448","","","0.1032","0.1128","","","","","","0.99","","","","has coordinates,has disorder","179740","2020-10-21","18:00:00",""
"7004200","20.306","0.003","20.306","0.003","34.684","0.004","90","","90","","120","","12385","3","150","2","150","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C74 H60 Bi5 Cl3 N16 O24 -","- C74 H60 Bi5 Cl3 N16 O24 -","- C444 H360 Bi30 Cl18 N96 O144 -","6","0.333333","","Thurston, John H.; Dougherty, Michael J.; Swenson, Dale C.; Messerle, Louis","[Bi5(dpd)6⊂CH3CN](ClO4)3·3CH3CN: a supramolecular, tetrahedral pentabismuth cluster derived from a nonabismuth oxo/hydroxide","Dalton Transactions","2008","","38","5146","5148","10.1039/b804044c","","","0.71073","MoKα","","0.0336","0.0248","","","0.044","0.0466","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7004204","14.738","0.0001","14.738","0.0001","12.2965","0.0001","90","","90","","120","","2313.07","0.03","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C9 H18 Ag Cl N6 S3 -","- C9 H18 Ag Cl N6 S3 -","- C54 H108 Ag6 Cl6 N36 S18 -","6","0.333333","","Bowmaker, Graham A.; Chaichit, Narongsak; Pakawatchai, Chaveng; Skelton, Brian W.; White, Allan H.","Solvent-assisted mechanochemical synthesis of metal complexes","Dalton Transactions","2008","","22","2926","2928","10.1039/b804229m","","","0.71073","MoKα","","0.0157","0.0152","","","0.0367","0.037","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7005899","15.6887","0.0009","15.6887","0.0009","24.4805","0.0018","90","","90","","120","","5218.2","0.6","213","2","213","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","Silver(i) Trifluorometanesulfonate Complex with Pyridazino(4,5-d)pyridazine, Solvate with 0.33 Water","Silver(I) Trifluorometanesulfonate Complex with Pyridazino[4,5-d]pyridazine, Solvate with 0.33 Water","","- C21 H14 Ag3 F9 N12 O10 S3 -","- C21 H12 Ag3 F9 N12 O10 S3 -","- C126 H72 Ag18 F54 N72 O60 S18 -","6","0.333333","","Konstantin V. Domasevitch; Pavlo V. Solntsev; Il'ya A. Gural'skiy; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Judith A. K. Howard","Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3893","3905","10.1039/b706731c","","","0.71073","MoKα","","0.0499","0.0315","","","0.0768","0.0806","","","","","","0.938","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7006390","16.185","0.001","16.185","0.001","25.833","0.003","90","","90","","120","","5860.4","0.9","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","02278","","","- C45 H38 B2 Fe N6 -","- C45 H38 B2 Fe N6 -","- C270 H228 B12 Fe6 N36 -","6","0.333333","","Mehn, Mark P.; Brown, Steven D.; Paine, Tapan K.; Brennessel, William W.; Cramer, Christopher J.; Peters, Jonas C.; Que, Jr, Lawrence","High-spin and low-spin iron(II) complexes with facially-coordinated borohydride ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","10","1347","1351","10.1039/b509580h","","","0.71073","MoKα","","0.0357","0.0281","","","0.0621","0.0648","","","","","","1.015","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7007464","21.507","0.002","21.507","0.002","15.769","0.002","90","","90","","120","","6316.8","1.2","110","2","110","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C54 H108 B6 F24 N12 Ni6 Rh2 S12 -","- C27 H54 B3 F12 N6 Ni3 Rh S6 -","- C162 H324 B18 F72 N36 Ni18 Rh6 S36 -","6","0.333333","","Jeffery, Stephen P.; Green, Kayla N.; Rampersad, Marilyn V.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","NiN(2)S(2) complexes as metallodithiolate ligands to Rh(I), Rh(II) and Rh(III).","Dalton transactions (Cambridge, England : 2003)","2006","","35","4244","4252","10.1039/b605768c","","","1.54178","CuKα","","0.0707","0.0498","","","0.0915","0.0972","","","","","","1.008","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7008603","15.6574","0.0018","15.6574","0.0018","15.54","0.004","90","","90","","120","","3299.3","1","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H24 Fe N3 O3 S3 -","- C21 H24 Fe N3 O3 S3 -","- C126 H144 Fe6 N18 O18 S18 -","6","0.333333","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0296","0.0281","","","0.0608","0.0612","","","","","","1.161","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008736","9.375","0.002","9.375","0.002","51.014","0.004","90","","90","","120","","3883","1.2","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C19.86 Cr Mn N O12 -","- C19.86 Cr Mn N O12 -","- C119.16 Cr6 Mn6 N6 O72 -","6","0.333333","","Ovanesyan, Nikolaï S; Makhaev, Viktor D.; Aldoshin, Sergei M.; Gredin, Patrick; Boubekeur, Kamal; Train, Cyrille; Gruselle, Michel","Structure, magnetism and optical properties of achiral and chiral two-dimensional oxalate-bridged anionic networks with symmetric and asymmetric ammonium cations.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3101","3107","10.1039/b506671a","","","0.71073","MoKα","","0.0887","0.0521","","","0.1276","0.1627","","","","","","1.177","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7011394","18.0689","0.0002","18.0689","0.0002","46.1059","0.0003","90","","90","","120","","13036.2","0.2","123","2","123","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","{potassium[2.2.2]cryptate}{carborane}tris{Ni(TMTAA)}","{potassium 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane} {carbadodecaborane(12)} tris-{5,7,12,14-tetramethyldibenzo[b,i]-1,4,8,11, tetraazacyclotetrdecinenickel(II)}","","- C85 H114 B11 K N14 Ni3 O6 -","- C84.96 H114 B11.04 K N14 Ni3 O6 -","- C509.76 H684 B66.24 K6 N84 Ni18 O36 -","6","0.333333","","Michaele J. Hardie; Nino Malic; Colin L. Raston","Mineralomimetic host‒guest chemistry: the encapsulation of [M+⊂[2.2.2]cryptate] (M = Na, K) by saddle shaped Ni(II) macrocycles","J. Chem. Soc., Dalton Trans.","2002","","3","295","296","10.1039/b111197n","","","0.71073","MoKα","","0.0519","0.0339","","","0.0726","0.0783","","","","","","1.044","","","","has coordinates,has disorder","179817","2020-10-21","18:00:00",""
"7011395","18.048","0.0001","18.048","0.0001","45.4396","0.0007","90","","90","","120","","12818.1","0.2","123","2","123","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","{sodium[2.2.2]cryptate}{carborane}tris{Ni(TMTAA)}","{sodium 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane} {carbadodecaborane(12)}tris-{5,7,12,14-tetramethyldibenzo[b,i]-1,4,8,11, tetraazacyclotetrdecinenickel(II)}","","- C85 H114 B11 N14 Na Ni3 O6 -","- C84.96 H114 B11.04 N14 Na Ni3 O6 -","- C509.76 H684 B66.24 N84 Na6 Ni18 O36 -","6","0.333333","","Michaele J. Hardie; Nino Malic; Colin L. Raston","Mineralomimetic host‒guest chemistry: the encapsulation of [M+⊂[2.2.2]cryptate] (M = Na, K) by saddle shaped Ni(II) macrocycles","J. Chem. Soc., Dalton Trans.","2002","","3","295","296","10.1039/b111197n","","","0.71073","MoKα","","0.0297","0.0266","","","0.0676","0.0694","","","","","","1.05","","","","has coordinates,has disorder","179817","2020-10-21","18:00:00",""
"7012997","21.4967","0.0008","21.4967","0.0008","27.0965","0.0012","90","","90","","120","","10843.9","0.7","200","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","1,1,1-tris-(2-(2-(6-diethylcarbamoyl-pyridin-2-yl)-1-ethyl-1H- benzoimidazol-5-yl-methoxy)-ethyl)-ethane europium(iii) tris-perchlorate","1,1,1-tris-{2-[2-(6-diethylcarbamoyl-pyridin-2-yl)-1-ethyl-1H-benzoimidazol- 5-yl-methoxy]-ethyl}-ethane europium(III) tris-perchlorate","","- C68 H84 Cl3 Eu N12 O18 -","- C68 H84 Cl3 Eu N12 O18 -","- C408 H504 Cl18 Eu6 N72 O108 -","6","0.333333","","Sylvain Koeller; Gérald Bernardinelli; Claude Piguet","A novel extended covalent tripod for assembling triple-helical nine-co-ordinated lanthanide(III) podates: the rational design of a single conformer","Dalton Trans.","2003","","12","2395","2404","10.1039/b303404f","","","0.71073","MoKα","","","0.027","","","","0.032","","","","","","1.49","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015093","26.1429","0.0005","26.1429","0.0005","31.4567","0.0009","90","","90","","120","","18618.8","0.7","200","2","200","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C35 H33 B I N8 P Ru -","- C35 H33 B I N8 P Ru -","- C630 H594 B18 I18 N144 P18 Ru18 -","18","1","","Lo, Yih-Hsing; Chen, Han-Gung; Kuo, Ting Shen","Proton-induced reactivities of ruthenium azido complexes: the first example of boron-carbon bond formation by methylene insertion into a B-H bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2711","2715","10.1039/c0dt01091j","","","0.71073","MoKα","","0.0858","0.0657","","","0.1768","0.1921","","","","","","1.06","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7017325","10.699","0.004","10.699","0.004","47.49","0.02","90","","90","","120","","4708","3","296","","296","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C24 H39 B Cl F4 Fe N9 -","- C24 H39 B Cl F4 Fe N9 -","- C144 H234 B6 Cl6 F24 Fe6 N54 -","6","0.333333","","Fujinami, Takeshi; Nishi, Koshiro; Matsumoto, Naohide; Iijima, Seiichiro; Halcrow, Malcolm A.; Sunatsuki, Yukinari; Kojima, Masaaki","1D and 2D assembly structures by imidazolechloride hydrogen bonds of iron(ii) complexes [Fe(II)(HL(n-Pr))(3)]Cl·Y (HL(n-Pr) = 2-methylimidazol-4-yl-methylideneamino-n-propyl; Y = AsF(6), BF(4)) and their spin states.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12301","12309","10.1039/c1dt11063b","","","0.71075","MoKα","","","0.0349","","","","0.1024","","","","","","1","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017331","31.28","0.004","31.28","0.004","14.424","0.003","90","","90","","120","","12222","3","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C26 H36 Cl N3 O Pd -","- C26 H36 Cl N3 O Pd -","- C468 H648 Cl18 N54 O18 Pd18 -","18","1","","Zhang, Wenjuan; Wang, Youhong; Yu, Jiangang; Redshaw, Carl; Hao, Xiang; Sun, Wen-Hua","2-(N-Alkylcarboxamide)-6-iminopyridyl palladium and nickel complexes: coordination chemistry and catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12856","12865","10.1039/c1dt11079a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0912","0.0941","","","","","","0.894","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017904","23.0517","0.0004","23.0517","0.0004","28.6216","0.0005","90","","90","","120","","13171.4","0.4","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","(Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8","","","- C24 H96 N18 Ni3 O51 Sb6 V15 -","- C24 H78 N18 Ni3 O46 Sb6 V15 -","- C144 H468 N108 Ni18 O276 Sb36 V90 -","6","0.333333","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1338","1344","10.1039/c1dt11635e","","","0.71073","MoKα","","0.0433","0.0396","","","0.0817","0.0828","","","","","","1.155","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7018322","19.9108","0.0002","19.9108","0.0002","39.4563","0.0007","90","","90","","120","","13546.4","0.3","100","2","100","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C88 H80 Au3 Cl14 F9 O9 P6 S3 -","- C80 H66 Au3 F6 O6 P6 S2 -","- C480 H396 Au18 F36 O36 P36 S12 -","6","0.333333","","Bhargava, Suresh; Kitadai, Kunihiko; Masashi, Takahashi; Drumm, Daniel W.; Russo, Salvy P.; Yam, Vivian Wing-Wah; Lee, Terence Kwok-Ming; Wagler, Jörg; Mirzadeh, Nedaossadat","Synthesis and structures of cyclic gold complexes containing diphosphine ligands and luminescent properties of the high nuclearity species.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4789","4798","10.1039/c2dt11722c","","","0.71073","MoKα","","0.0276","0.0256","","","0.0618","0.0626","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018471","15.5206","0.0006","15.5206","0.0006","40.62","0.003","90","","90","","120","","8474","0.8","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C57 H69 Cu3 N6 S3 -","- C57 H69 Cu3 N6 S3 -","- C342 H414 Cu18 N36 S18 -","6","0.333333","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0513","0.0326","","","0.0664","0.0742","","","","","","1.003","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018472","15.5939","0.0005","15.5939","0.0005","40.87","0.002","90","","90","","120","","8606.9","0.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C57 H69 Cu3 N6 Se3 -","- C57 H69 Cu3 N6 Se3 -","- C342 H414 Cu18 N36 Se18 -","6","0.333333","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0484","0.0319","","","0.0649","0.0715","","","","","","1.023","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018549","29.092","0.007","29.092","0.007","15.193","0.004","90","","90","","120","","11136","5","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C24 H30 Cl Ir N4 O3 -","- C24 H24 Cl Ir N4 O3 -","- C432 H432 Cl18 Ir18 N72 O54 -","18","1","","Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro","Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4919","4926","10.1039/c2dt12108e","","","0.71073","MoKα","","0.0198","0.0174","","","0.0443","0.0609","","","","","","1.203","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020263","26.005","0.002","26.005","0.002","17.2968","0.0011","90","","90","","120","","10130","1.3","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C16 H35 F6 N4 Ni O3 P -","- C16 H35 F6 N4 Ni O3 P -","- C288 H630 F108 N72 Ni18 O54 P18 -","18","1","","Smith, Rachel; Huskens, Dana; Daelemans, Dirk; Mewis, Ryan E.; Garcia, Courtney D.; Cain, Amy N.; Freeman, TaRynn N Carder; Pannecouque, Christophe; De Clercq, Erik; Schols, Dominique; Hubin, Timothy J.; Archibald, Stephen J.","CXCR4 chemokine receptor antagonists: nickel(II) complexes of configurationally restricted macrocycles.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11369","11377","10.1039/c2dt31137b","","","0.71073","MoKα","","0.1165","0.0404","","","0.0717","0.0815","","","","","","0.681","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020937","16.0783","0.0006","16.0783","0.0006","74.528","0.006","90","","90","","120","","16685.2","1.6","123","","123","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C90 H99 Cl6 F18 Ir6 N12 O9 P3 -","- C90 H96 Cl6 F18 Ir6 N12 O9 P3 -","- C540 H576 Cl36 F108 Ir36 N72 O54 P18 -","6","0.333333","","Inui, Yuji; Shiro, Motoo; Kusukawa, Takahiro; Fukuzumi, Shunichi; Kojima, Takahiko","A triangular prismatic hexanuclear iridium(iii) complex bridged by flavin analogues showing reversible redox processes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2773","2778","10.1039/c2dt32535g","","","1.54187","CuKα","","","0.0965","","","","0.2415","","","","","","1.092","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7021435","23.5913","0.0005","23.5913","0.0005","13.7609","0.0006","90","","90","","120","","6632.6","0.4","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C10 H16 Co N4 O8 S -","- C10 H16 Co N4 O8 S -","- C180 H288 Co18 N72 O144 S18 -","18","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Tan, Yu-Hui; Wu, Ji-Si; Xiong, Jian-Bo; Wen, He-Rui","Two acentric (6, 3) topological 2-D frameworks with imidazole-containing tripodal ligand and their ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10106","10111","10.1039/c3dt50432h","","","0.71073","MoKα","","0.0356","0.0323","","","0.0883","0.0921","","","","","","1.031","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021436","23.8731","0.0005","23.8731","0.0005","13.8236","0.0005","90","","90","","120","","6822.9","0.3","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C10 H16 Mn N4 O8 S -","- C10 H16 Mn N4 O8 S -","- C180 H288 Mn18 N72 O144 S18 -","18","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Tan, Yu-Hui; Wu, Ji-Si; Xiong, Jian-Bo; Wen, He-Rui","Two acentric (6, 3) topological 2-D frameworks with imidazole-containing tripodal ligand and their ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10106","10111","10.1039/c3dt50432h","","","0.71073","MoKα","","0.046","0.0419","","","0.1226","0.1282","","","","","","1.089","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7022026","10.8574","0.0019","10.8574","","37.87","0.01","90","","90","","120","","3866.1","1.2","298","","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Potassium Calcium Vanadium Oxide","","","- Ca10 K O28 V7 -","- Ca10 K O28 V7 -","- Ca60 K6 O168 V42 -","6","0.333333","","Tyutyunnik, Alexander P.; Slobodin, Boris V.; Samigullina, Rina F.; Verberck, Bart; Tarakina, Nadezda V.","K2CaV2O7: a pyrovanadate with a new layered type of structure in the A2BV2O7 family.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1057","1064","10.1039/c2dt31246h","powder diffraction","","1.54056","","","","","","","","","","","","","","","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7023494","24.8916","0.0007","24.8916","0.0007","25.6814","0.0011","90","","90","","120","","13780.2","0.8","185","2","185","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C26.17 H27.33 Cl6.33 Co N3 -","- C26.1667 H27 Cl6.33 Co N3 -","- C471 H486 Cl113.94 Co18 N54 -","18","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.0684","0.0567","","","0.1455","0.155","","","","","","1.081","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7024339","14.063","0.001","14.063","0.001","57.883","0.001","90","","90","","120","","9913.7","1","150","0.1","150","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C39 H84 Cl6 O18 P6 Zr3 -","- C39 H84 Cl6 O18 P6 Zr3 -","- C234 H504 Cl36 O108 P36 Zr18 -","6","0.333333","","Heuclin, Hadrien; Grünstein, Dan; Le Goff, Xavier-Frederic; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus stabilized carbene complexes: bisphosphonate dianion synthesis, reactivity and DFT studies of O~C~O zirconium(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","492","499","10.1039/b915468j","","","0.71069","MoKα","","0.0482","0.0336","","","0.0849","0.0922","","","","","","1.023","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7025063","15.7226","0.0015","15.7226","0.0015","29.224","0.003","90","","90","","120","","6256.3","1.1","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C19 H50 Cl6 Fe Mo3 P6 S4 -","- C18.99 H49.98 Cl5.98 Fe Mo3 P6 S4 -","- C113.94 H299.88 Cl35.88 Fe6 Mo18 P36 S24 -","6","0.333333","","Algarra, Andrés G; Basallote, Manuel G.; Fernandez-Trujillo, M J; Llusar, Rosa; Pino-Chamorro, Jose A; Sorribes, Ivan; Vicent, Cristian","Site specific ligand substitution in cubane-type Mo3FeS(4)(4+) clusters: kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3725","3735","10.1039/b924801c","","","0.71073","MoKα","","0.0837","0.0425","","","0.0807","0.0937","","","","","","1.044","","","","has coordinates,has disorder","179955","2020-10-21","18:00:00",""
"7025480","19.0699","0.0007","19.0699","0.0007","38.37","0.003","90","","90","","120","","12084.2","1.1","173","2","173","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","potassium-tris(tris(trimethylsilyl)germyl)plumbanide","potassium-tris[tris(trimethylsilyl)germyl]plumbanide","","- C51 H129 Ge3 K O6 Pb Si9 -","- C51 H129 Ge3 K O6 Pb Si9 -","- C306 H774 Ge18 K6 O36 Pb6 Si54 -","6","0.333333","","Kurzbach, Dennis; Yao, Shenglai; Hinderberger, Dariush; Klinkhammer, Karl W.","EPR spectroscopic characterization of persistent germyl-substituted Pb(III)- and Sn(III)-radicals.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6449","6459","10.1039/c001144d","","","0.71073","MoKα","","0.0331","0.0237","","","0.0578","0.0649","","","","","","1.082","","","","has coordinates,has disorder","179960","2020-10-21","18:00:00",""
"7025879","20.591","0.003","20.591","0.003","10.134","0.004","90","","90","","120","","3721.1","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","4,4',4''-phosphoryltris(methylene)tris(1-ethylpiperazine)","","- C21 H45 N6 O P -","- C21 H45 N6 O P -","- C126 H270 N36 O6 P6 -","6","0.333333","","Starosta, Radosław; Bazanów, Barbara; Barszczewski, Wojciech","Chalcogenides of the aminomethylphosphines derived from 1-methylpiperazine, 1-ethylpiperazine and morpholine: NMR, DFT and structural studies for determination of electronic and steric properties of the phosphines.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7547","7555","10.1039/c0dt00037j","","","0.71073","MoKα","","0.0625","0.0436","","","0.1063","0.1158","","","","","","0.985","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7026495","20.3085","0.0009","20.3085","0.0009","26.3678","0.0015","90","","90","","120","","9418","0.8","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","C9H7BN9NaO6","","","- C36 H28 B4 N36 Na4 O24 -","- C36 H28 B4 N36 Na4 O24 -","- C216 H168 B24 N216 Na24 O144 -","6","0.333333","","Pellei, Maura; Papini, Grazia; Lobbia, Giancarlo Gioia; Ricci, Simone; Yousufuddin, Muhammed; Dias, H. V. Rasika; Santini, Carlo","Scorpionates bearing nitro substituents: mono-, bis- and tris-(3-nitro-pyrazol-1-yl)borate ligands and their copper(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8937","8944","10.1039/c0dt00474j","","","0.71073","MoKα","","0.0438","0.041","","","0.0987","0.1014","","","","","","1.066","","","","has coordinates","291143","2024-04-09","08:48:27",""
"7027464","9.684","0.0014","9.684","0.0014","29.523","0.006","90","","90","","120","","2397.7","0.7","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Tris(3-hydroxy-2(1H)-pyridonate)aluminium(III)","","- C15 H9 Al N3 O6 -","- C15 H9 Al N3 O6 -","- C90 H54 Al6 N18 O36 -","6","0.333333","","Di Marco, Valerio B.; Bombi, G. Giorgio; Tapparo, Andrea; Powell, Annie K.; Anson, Christopher E.","Complexation of aluminium(III) with 3-hydroxy-2(1H )-pyridinone. Solution state study and crystal structure of tris(3-hydroxy-2(1H )-pyridinonato)aluminium(III)","Journal of the Chemical Society, Dalton Transactions","1999","","15","2427","","10.1039/a902997d","","","0.71073","MoKα","","0.0468","0.0413","","0.1211","0.116","","","","1.149","1.162","1.162","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7033957","16.5905","0.0007","16.5905","0.0007","74.717","0.003","90","","90","","120","","17810.2","1.3","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C111 H189 Li2 N6 O16 Y3 -","- C111 H189 Li2 N6 O16 Y3 -","- C666 H1134 Li12 N36 O96 Y18 -","6","0.333333","","Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent","Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12137","12148","10.1039/c5dt00129c","","","0.71073","MoKα","","0.081","0.0657","","","0.167","0.1766","","","","","","1.057","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7034332","15.3884","0.0004","15.3884","0.0004","61.781","0.002","90","","90","","120","","12669.9","0.6","100","0.2","100","0.2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C69 H93 Cl17 N6 Ni -","- C69 H93 Cl17 N6 Ni -","- C414 H558 Cl102 N36 Ni6 -","6","0.333333","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.0691","0.0618","","","0.1636","0.1693","","","","","","1.067","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034427","13.079","0.002","13.079","0.002","18.57","0.002","90","","90","","120","","2751","0.7","110","2","110","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C11 H4 B F18 N O3 -","- C11 H3.9999 B F18 N O3 -","- C66 H23.9994 B6 F108 N6 O18 -","6","0.333333","","Böhrer, Hannes; Trapp, Nils; Himmel, Daniel; Schleep, Mario; Krossing, Ingo","From unsuccessful H2-activation with FLPs containing B(Ohfip)3 to a systematic evaluation of the Lewis acidity of 33 Lewis acids based on fluoride, chloride, hydride and methyl ion affinities.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7489","7499","10.1039/c4dt02822h","","","0.71073","MoKα","","0.0262","0.0246","","","0.0596","0.0607","","","","","","1.083","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034917","25.8872","0.0012","25.8872","0.0012","17.1214","0.0008","90","","90","","120","","9936.7","0.8","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C15 H33 F6 N4 O3 P Zn -","- C15 H33 F6 N4 O3 P Zn -","- C270 H594 F108 N72 O54 P18 Zn18 -","18","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.0546","0.0429","","","0.1042","0.1106","","","","","","0.994","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7037222","38.41","0.007","38.41","0.007","8.7096","0.0015","90","","90","","120","","11128","3","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C14 H20 O14 U2 -","- C14 H10 O10 U2 -","- C252 H180 O180 U36 -","18","1","","Yang, Yanqiu; Teat, Simon J.; Zhang, Zhicheng; Luo, Shunzhong; Rao, Linfeng","Complexation of U(vi) with benzoic acid at variable temperatures (298-353 K): thermodynamics and crystal structures of U(vi)/benzoate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","384","391","10.1039/c5dt03532e","","","0.7749","synchrotron","","0.0485","0.0332","","","0.0689","0.0739","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7037282","30.7488","0.0008","30.7488","0.0008","11.8199","0.0004","90","","90","","120","","9678.3","0.5","180","2","180","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C18 H18 N3 P -","- C18 H18 N3 P -","- C432 H432 N72 P24 -","24","1.33333","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.0306","0.0275","","","0.0719","0.0742","","","","","","1.048","","","","has coordinates","176114","2020-10-21","18:00:00",""
"7037283","15.7876","0.0006","15.7876","0.0006","11.1637","0.0005","90","","90","","120","","2409.74","0.17","180","2","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H9 Br3 N3 P -","- C15 H9 Br3 N3 P -","- C90 H54 Br18 N18 P6 -","6","0.333333","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.0392","0.0331","","","0.0609","0.0624","","","","","","1.094","","","","has coordinates","176114","2020-10-21","18:00:00",""
"7037422","13.98309","0.00014","13.98309","0.00014","29.4298","0.0003","90","","90","","120","","4983.38","0.09","110","2","110","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C31 H16 B Cu F12 N6 O -","- C31 H16 B Cu F12 N6 O -","- C186 H96 B6 Cu6 F72 N36 O6 -","6","0.333333","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0202","0.0201","","","0.0587","0.0588","","","","","","1.058","","","","has coordinates","171150","2020-10-21","18:00:00",""
"7038239","11.6413","0.0004","11.6413","0.0004","45.352","0.003","90","","90","","120","","5322.7","0.4","173","2","173","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C38 H47 B Cu N7 -","- C38 H46.9999 B Cu N6.99999 -","- C228 H282 B6 Cu6 N41.9999 -","6","0.333333","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0409","0.0373","","","0.0972","0.1006","","","","","","1.08","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7038243","11.9013","0.0001","11.9013","0.0001","45.2468","0.001","90","","90","","120","","5550.18","0.14","193","2","193","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C40 H48 B Li N6 O -","- C39.9996 H47.9992 B Li N6 O -","- C239.998 H287.995 B6 Li6 N36 O6 -","6","0.333333","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0667","0.066","","","0.1856","0.1864","","","","","","1.393","","","","has coordinates","187145","2020-10-21","18:00:00",""
"7040642","31.866","0.003","31.866","0.003","6.8364","0.0004","90","","90","","120","","6011.9","0.9","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C8 H10 Ag I2 N O2 -","- C8 H10 Ag I2 N O2 -","- C144 H180 Ag18 I36 N18 O36 -","18","1","","Yu, Tan-Lai; Hao, Peng-Fei; Shen, Jun-Ju; Li, Hui-Hui; Fu, Yun-Long","Stoichiometry-controlled structural and functional variation in two photochromic iodoargentates with a fast and wide range response.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16505","16510","10.1039/c6dt03105f","","","0.71073","MoKα","","0.0525","0.0392","","","0.0751","0.0814","","","","","","1.033","","","","has coordinates","188156","2020-10-21","18:00:00",""
"7040667","24.9266","0.0019","24.9266","0.0019","19.706","0.002","90","","90","","120","","10603.6","1.6","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H78 Cl6 N6 O18 Pd3 -","- C60 H54 Cl6 N6 O12 Pd3 -","- C360 H324 Cl36 N36 O72 Pd18 -","6","0.333333","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.1446","0.0891","","","0.1464","0.1644","","","","","","1.05","","","","has coordinates","190111","2020-10-21","18:00:00",""
"7040668","25.4354","0.0004","25.4354","0.0004","21.3755","0.0006","90","","90","","120","","11976.3","0.4","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H72 N12 O33 Pd3 S3 -","- C66 H72 N12 O33 Pd3 S3 -","- C396 H432 N72 O198 Pd18 S18 -","6","0.333333","","Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang","Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18476","18483","10.1039/c6dt02604d","","","0.71073","MoKα","","0.0809","0.0595","","","0.1526","0.1672","","","","","","1.036","","","","has coordinates,has disorder","190111","2020-10-21","18:00:00",""
"7041312","23.7651","0.001","23.7651","0.001","33.358","0.003","90","","90","","120","","16315.9","1.8","173","2","173","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C48 H144 As6 Cl6 Dy6 N30 O6 Se12 -","- C48 H144 As6 Cl6 Dy6 N30 O6 Se12 -","- C288 H864 As36 Cl36 Dy36 N180 O36 Se72 -","6","0.333333","","Zhou, Jian; Zou, Hua-Hong; Zhao, Rongqing; Xiao, Hong; Ding, Qingran","A unique dysprosium selenoarsenate(iii) exhibiting a photocurrent response and slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","342","346","10.1039/c6dt04266j","","","0.71073","MoKα","","0.083","0.0542","","","0.1224","0.1362","","","","","","1.007","","","","has coordinates,has disorder","203907","2020-10-21","18:00:00",""
"7041503","17.9821","0.0006","17.9821","0.0006","22.4936","0.0015","90","","90","","120","","6299","0.5","150","2","150","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H33 Cl3 Co N9 O15 -","- C36 H33 Cl3 Co N9 O15 -","- C216 H198 Cl18 Co6 N54 O90 -","6","0.333333","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0345","0.0289","","","0.0694","0.0717","","","","","","1.08","","","","has coordinates,has disorder","191624","2020-10-21","18:00:00",""
"7041600","30.8793","0.0011","30.8793","0.0011","6.8697","0.0002","90","","90","","120","","5672.9","0.3","100.05","0.1","100.05","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C13 H9 Cl2 N3 Pt -","- C13 H9 Cl2 N3 Pt -","- C234 H162 Cl36 N54 Pt18 -","18","1","","Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas","Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1467","1480","10.1039/c6dt04035g","","","0.71073","MoKα","","0.0416","0.0409","","","0.1008","0.1012","","","","","","1.054","","","","has coordinates","191653","2020-10-21","18:00:00",""
"7042093","27.6091","0.0008","27.6091","0.0008","18.7133","0.0007","90","","90","","120","","12353.4","0.7","120","2","120.1","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C96 H60 Fe N18 P3 -","- C96 H60 Fe N18 P3 -","- C576 H360 Fe6 N108 P18 -","6","0.333333","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0348","0.03","","","0.0672","0.0693","","","","","","1.055","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7042096","27.5965","0.0006","27.5965","0.0006","18.6928","0.0005","90","","90","","120","","12328.6","0.5","120","2","120","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C96 H60 Co N18 P3 -","- C96 H60 Co N18 P3 -","- C576 H360 Co6 N108 P18 -","6","0.333333","","Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert","Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3482","3491","10.1039/c7dt00293a","","","0.71073","MoKα","","0.0412","0.0321","","","0.063","0.0659","","","","","","1.042","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7042710","16.1559","0.0003","16.1559","0.0003","25.6568","0.0006","90","","90","","120","","5799.6","0.2","110","2","110","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","[Cu(TpPh2)(C2H4)]","","- C47 H38 B Cu N6 -","- C46.9998 H37.9996 B Cu N6 -","- C281.999 H227.998 B6 Cu6 N36 -","6","0.333333","","van Dijkman, Thomas F.; de Bruijn, Hans M.; Brevé, Tobias G; van Meijeren, Bob; Siegler, Maxime A.; Bouwman, Elisabeth","Extremely bulky copper(I) complexes of [HB(3,5-{1-naphthyl}2pz)3]‒ and [HB(3,5-{2-naphthyl}2pz)3]‒ and their self-assembly on graphene.","Dalton Trans.","2017","","","","","10.1039/C6DT04851J","","","1.54178","CuKα","","0.0201","0.02","","","0.0534","0.0535","","","","","","1.055","","","","has coordinates,has disorder","195481","2020-10-21","18:00:00",""
"7043534","23.635","0.002","23.635","0.002","13.7616","0.0014","90","","90","","120","","6657.5","1","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H48 Co3 N12 O24 S3 -","- C30 H48 Co3 N12 O24 S3 -","- C180 H288 Co18 N72 O144 S18 -","6","0.333333","","Li, Jun-Jiao; Wang, Chong-Chen; Fu, Huifen; Cui, Jing-rui; Xu, Peng; Guo, Jie; Li, Jian-Rong","High-performance adsorption and separation of anionic dyes in water using a chemically stable graphene-like metal-organic framework","Dalton Trans.","2017","","","","","10.1039/C7DT02208E","","","0.71073","MoKα","","0.0369","0.0308","","","0.0685","0.0724","","","","","","1.044","","","","has coordinates","198572","2020-10-21","18:00:00",""
"7044002","13.6115","0.0019","13.6115","0.0019","35.291","0.007","90","","90","","120","","5662.5","1.6","100","2","100.15","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C39 H57 N7 O3 -","- C39 H57 N7 O3 -","- C234 H342 N42 O18 -","6","0.333333","","Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng","Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties","Dalton Trans.","2017","","","","","10.1039/C7DT02556D","","","0.7108","Synchrotron","","0.0474","0.0461","","","0.1367","0.1383","","","","","","1.2796","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7044351","11.2364","0.0002","11.2364","0.0002","55.6273","0.001","90","","90","","120","","6082.37","0.19","160","2","160","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H27 Co Dy N9 O12 -","- C36 H27 Co Dy N9 O12 -","- C216 H162 Co6 Dy6 N54 O72 -","6","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","","0.043","0.0423","","","0.1126","0.1145","","","","","","1.052","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7046698","14.8261","0.0012","14.8261","0.0012","16.0571","0.0013","90","","90","","120","","3056.7","0.4","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H15 Fe O6 Se3 -","- C18 H15 Fe O6 Se3 -","- C108 H90 Fe6 O36 Se18 -","6","0.333333","","Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J.","Synthesis of first row transition metal selenomaltol complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9030","9037","10.1039/c8dt01170b","","","0.71073","MoKα","","0.0195","0.0185","","","0.0404","0.0406","","","","","","1.129","","","","has coordinates","229314","2020-10-21","18:00:00",""
"7047306","21.613","0.003","21.613","0.003","78.182","0.016","90","","90","","120","","31628","9","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C138 H118 N4 O33 Zn8 -","- C126 H84 O26.9999 Zn8 -","- C756 H504 O161.999 Zn48 -","6","0.333333","","Sun, Xiaodong; Ma, Yali; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Tuning the gate opening pressure of a flexible doubly interpenetrated metal-organic framework through ligand functionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13158","13163","10.1039/c8dt02544d","","","0.71073","MoKα","","0.0994","0.0632","","","0.1811","0.2002","","","","","","1.017","","","","has coordinates","229294","2020-10-21","18:00:00",""
"7048803","25.992","0.003","25.992","0.003","17.3325","0.0015","90","","90","","120","","10140.8","1.9","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C16 H35 Co F6 N4 O3 P -","- C16 H35 Co F6 N4 O3 P -","- C288 H630 Co18 F108 N72 O54 P18 -","18","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0779","0.037","","","0.0563","0.0624","","","","","","0.678","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7050214","23.869","0.002","23.869","0.002","6.4684","0.0005","90","","90","","120","","3191.5","0.5","253","2","253","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 Br3 N3 O3 -","- C21 H12 Br3 N3 O3 -","- C126 H72 Br18 N18 O18 -","6","0.333333","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0539","0.0343","","","0.056","0.0595","","","","","","0.9","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7051346","16.501","0.002","16.501","0.002","9.5919","0.0019","90","","90","","120","","2261.8","0.6","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H21 I3 N4 -","- C6 H21 I3 N4 -","- C36 H126 I18 N24 -","6","0.333333","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7052385","19.5276","0.0012","19.5276","0.0012","93.94","0.002","90","","90","","120","","31023","3","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","tetrakis[2,7,12-trimethoxy-3,8,13-tris(4-pyridylmethylamino)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]-tris(acetonitrile)tetrasilver(I) hexafluorophosphate acetonitrile clathrate hydrate","","- C184 H194 Ag4 F24 N32 O13 P4 -","- C192 H191.94 Ag4 F24.05 N34 O12.99 P4.01 -","- C1152 H1151.64 Ag24 F144.3 N204 O77.94 P24.06 -","6","0.333333","","Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J.","Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra","New Journal of Chemistry","2006","30","10","1390","","10.1039/b609356f","","","0.71073","MoKα","","0.1293","0.1116","","","0.2859","0.3006","","","","","","1.099","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052780","13.5264","0.0013","13.5264","","24.608","0.002","90","","90","","120","","3899.2","0.5","100","2","100","2","","","","","","","synthesis as described","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C162 H90 N18 O18 -","6","0.333333","","Argouarch, Gilles; Veillard, Romain; Roisnel, Thierry; Amar, Anissa; Boucekkine, Abdou; Singh, Anu; Ledoux, Isabelle; Paul, Frédéric","Donor-substituted triaryl-1,3,5-triazinanes-2,4,6-triones: octupolar NLO-phores with a remarkable transparency‒nonlinearity trade-off","New Journal of Chemistry","2011","35","11","2409","","10.1039/c1nj20442d","","x-ray","0.71073","MoKα","","0.072","0.0693","","","0.1716","0.1732","","","","","","1.162","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052824","31.823","0.007","31.823","0.007","21.495","0.005","90","","90","","120","","18852","7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","NA","","","- C132 H138 N24 O33 Ru3 -","- C120 H90 N21 O12 Ru3 -","- C720 H540 N126 O72 Ru18 -","6","0.333333","","Wang, Jin-Liang; Li, Xiaopeng; Shreiner, Carol D.; Lu, Xiaocun; Moorefield, Charles N.; Tummalapalli, Sreedhar R.; Medvetz, Douglas A.; Panzner, Matthew J.; Fronczek, Frank R.; Wesdemiotis, Chrys; Newkome, George R.","Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties","New Journal of Chemistry","2012","36","2","484","","10.1039/c2nj20799k","","","0.71073","MoKα","","0.0797","0.0603","","","0.1271","0.135","","","","","","0.989","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7053395","18.0719","0.0003","18.0719","0.0003","14.7542","0.0006","90","","90","","120","","4173.1","0.2","220","2","220","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H4 Cl11 N10 P3 -","- C11.9999 H3.99996 Cl11 N10 P3 -","- C71.9996 H23.9998 Cl65.9999 N60 P18 -","6","0.333333","","Saplinova, Tatyana; Lehnert, Christian; Böhme, Uwe; Wagler, Jörg; Kroke, Edwin","Melem- and melamine-derived iminophosphoranes","New Journal of Chemistry","2010","34","9","1893","","10.1039/b9nj00621d","","","0.71073","MoKα","","0.0364","0.0296","","","0.0698","0.0734","","","","","","1.053","","","","has coordinates,has disorder","180087","2020-10-21","18:00:00",""
"7053411","20.691","0.004","20.691","0.003","9.996","0.005","90","","90","","120","","3706","2","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","tris((4-ethylpiperazin-1-yl)methyl)phosphine","tris((4-ethylpiperazin-1-yl)methyl)phosphine","","- C21 H45 N6 P -","- C21 H45 N6 P -","- C126 H270 N36 P6 -","6","0.333333","","Starosta, Radosław; Florek, Magdalena; Król, Jarosław; Puchalska, Małgorzata; Kochel, Andrzej","Copper(i) iodide complexes containing new aliphatic aminophosphine ligands and diimines—luminescent properties and antibacterial activity","New Journal of Chemistry","2010","34","7","1441","","10.1039/b9nj00636b","","","0.71073","MoKα","","0.0337","0.027","","","0.0612","0.0643","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054849","19.975","0.002","19.975","0.002","13.2744","0.0014","90","","90","","120","","4586.9","0.8","150","2","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C24 H15 Cu3 F18 N6 -","- C24 H15 Cu3 F18 N6 -","- C144 H90 Cu18 F108 N36 -","6","0.333333","","Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Isolable arene sandwiched copper(i) pyrazolates","New J. Chem.","2015","39","7","5092","","10.1039/C5NJ01002K","","","0.71073","MoKα","","0.0341","0.0275","","","0.0634","0.0659","","","","","","1.032","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7056960","19.7298","0.0007","19.7298","0.0007","19.036","0.0007","90","","90","","120","","6417.3","0.4","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H10 Cl0.04 N2 O2 -","- C12.75 H7.5 Cl0.75 N2.25 O0.75 -","- C306 H180 Cl18 N54 O18 -","24","1.33333","","Singh, Jay Bahadur; Mishra, Kalpana; Gupta, Tanu; Singh, Radhey M.","Copper-catalyzed cascade reaction: synthesis of pyrimido[4,5-b]quinolinones from 2-chloroquinoline-3-carbonitriles with (aryl)methanamines","New Journal of Chemistry","2018","42","5","3310","","10.1039/C7NJ04689H","","","0.71073","MoKα","","0.0646","0.0458","","","0.0959","0.1033","","","","","","1.022","","","","has coordinates","230265","2020-10-21","18:00:00",""
"7062700","27.52","0.004","27.52","0.004","43.305","0.007","90","","90","","120","","28403","7","150","","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C64 H56 Cu4 N8 O16 -","- C64 H56 Cu4 N8 O16 -","- C1152 H1008 Cu72 N144 O288 -","18","1","","Das, Jayanta; Ta, Sabyasachi; Das, Debasis","A tetra-nuclear Cu(ii) complex of amide-imine conjugate: highly-selective ESIPT-based probe for OCl−","New Journal of Chemistry","2023","47","39","18126","18129","10.1039/D3NJ02743K","","","0.71073","MoKα","","0.0789","0.0402","","","0.0812","0.0975","","","","","","1.102","","","","has coordinates","287385","2023-11-06","08:01:35",""
"7063466","16.9979","0.0006","16.9979","0.0006","23.6994","0.001","90","","90","","120","","5930.1","0.4","150","0.1","150.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 Ce N4 O Si4 -","- C33 H54 Ce N4 O Si4 -","- C198 H324 Ce6 N24 O6 Si24 -","6","0.333333","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","0.71073","MoKα","","0.0368","0.0327","","","0.083","0.0874","","","","","","1.05","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7063467","17.171","0.004","17.171","0.004","23.79","0.008","90","","90","","120","","6075","3","170","2","170","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 N4 O Si4 U -","- C33 H54 N4 O Si4 U -","- C198 H324 N24 O6 Si24 U6 -","6","0.333333","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","0.71073","MoKα","","0.0212","0.0144","","","0.0326","0.0336","","","","","","0.892","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7063468","17.113","0.004","17.113","0.004","24.012","0.005","90","","90","","120","","6090","2","170","","170","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 N4 O Si4 Th -","- C33 H54 N4 O Si4 Th -","- C198 H324 N24 O6 Si24 Th6 -","6","0.333333","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","0.71076","MoKα","","0.0149","0.0109","","","0.024","0.0256","","","","","","1.102","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7100608","20.463","0.003","20.463","0.003","25.119","0.005","90","","90","","120","","9109","3","203","2","203","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ba3 Ge4 H60 Mn6 O30 Se17 -","- Ba3 Ge4 H60 Mn6 O30 Se17 -","- Ba18 Ge24 H360 Mn36 O180 Se102 -","6","0.333333","","Stefanie Dehnen; Rodolphe Clerac; Maike Melullis","Ternary Mn/Ge/Se Anions from Reactions of [Ba2(H2O)9][GeSe4]: Synthesis and Characterization of Compounds Containing Discrete or Polymeric [Mn6Ge4Se17]6 Units","Chemical Communications","2005","","","","","10.1039/b513305j","","","","","","","","","","","","","","","","","","","","","has coordinates","189180","2020-10-21","18:00:00",""
"7102340","17.4815","0.0009","17.4815","0.0009","27.596","0.002","90","","90","","120","","7303.5","0.8","180","2","180","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C31 H63 K O Si6 Sn -","- C31.02 H63 K O Si6 Sn -","- C186.12 H378 K6 O6 Si36 Sn6 -","6","0.333333","","Layfield, Richard A; García, Felipe; Hannauer, Julien; Humphrey, Simon M","Ansa-tris(allyl) complexes of alkali metals: tripodal analogues of cyclopentadienyl and ansa-metallocene ligands.","Chemical communications (Cambridge, England)","2007","","47","5081","5083","10.1039/b712285c","","","0.71073","MoKα","","0.0482","0.0312","","","0.0685","0.0773","","","","","","1.06","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102907","15.829","0.0006","15.829","0.0006","18.4495","0.0013","90","","90","","120","","4003.3","0.4","243","2","243","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C21 H33 B Cl N6 Ni S3 -","- C21 H33 B Cl N6 Ni S3 -","- C126 H198 B6 Cl6 N36 Ni6 S18 -","6","0.333333","","Pang, Keliang; Tanski, Joseph M; Parkin, Gerard","Reactivity of the Ni‒>B dative sigma-bond in the nickel boratrane compounds [kappa4-B(mimBut)3]NiX (X=Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut)]NiZ.","Chemical communications (Cambridge, England)","2008","","8","1008","1010","10.1039/b714466k","","","0.71073","MoKα","","0.0551","0.034","","","0.0694","0.0765","","","","","","1.068","","","","has coordinates","180131","2020-10-21","18:00:00",""
"7102975","28.0956","0.0003","28.0956","0.0003","64.0922","0.0012","90","","90","","120","","43813.9","1.1","296","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C72 H107 O44 Rb5 -","- C72 H56 O43.99 Rb5 -","- C1296 H1008 O791.82 Rb90 -","18","1","","Dalgarno, Scott J; Claudio-Bosque, Karla M; Warren, John E; Glass, Timothy E; Atwood, Jerry L","Interpenetrated nano-capsule networks based on the alkali metal assisted assembly of p-carboxylatocalix[4]arene-O-methyl ether.","Chemical communications (Cambridge, England)","2008","","12","1410","1412","10.1039/b716777f","","x-ray","0.671","Synchrotron","","0.1456","0.1202","","","0.3086","0.328","","","","","","2.073","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7103819","22.096","0.006","22.096","0.006","13.436","0.004","90","","90","","120","","5681","3","203","2","203","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Am3 H I13 K3 O39 -","- Am3 I13 K3 O39 -","- Am18 I78 K18 O234 -","6","0.333333","","Wolfgang H. Runde; Amanda C. Bean; Brian L. Scott","Synthesis and characterization of a channel framework in K3Am3(I03)12.HIO3","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b304530g","","","0.71073","MoKα","","0.0695","0.0628","","","0.1314","0.1328","","","","","","1.545","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109279","8.462","","8.462","","11.372","","90","","90","","120","","705.202","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ag3 N Se O3","","- Ag3 N O3 Se -","- Ag3 N O3 Se -","- Ag18 N6 O18 Se6 -","6","0.333333","","Kocman, V.; Nyburg, S.C.; Fawcett, J.K.; O'Brian, R.J.","The crystal structure of alpha-Ag3 N Se O3","Chemical Communications (1965 - 1969)","1969","1969","","1198","1198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109772","12.6655","0.0019","12.6655","0.0019","26.761","0.005","90","","90","","120","","3717.7","1.1","123","2","123","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C144 H126 N18 O18 -","6","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","","0.061","0.0511","","","0.1362","0.1443","","","","","","1.028","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7110616","23.576","0.003","23.576","0.003","6.5913","0.0008","90","","90","","120","","3172.8","0.7","223","2","223","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","2,4,6-tris-(4-methylphenoxy)-1,3,5-triazine","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C144 H126 N18 O18 -","6","0.333333","","Thalladi, Venkat R.; Boese, Roland; Brasselet, Sophie; Ledoux, Isabelle; Zyss, Joseph; Jetti, Ram K. R.; Desiraju, Gautam R.","Steering non-centrosymmetry into the third dimension: crystal engineering of an octupolar nonlinear optical crystal","Chemical Communications","1999","","17","1639","","10.1039/a904490f","","","0.71073","MoKα","","0.0615","0.0584","","","0.1274","0.1321","","","","","","1.137","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7111533","8.779","0.002","8.779","0.002","29.255","0.002","90","","90","","120","","1952.6","0.6","120","2","120","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","trifluorido(1,4,7-trimethyl-1,4,7-triazacyclononane)silicon(IV) chloride","","- C9 H21 Cl F3 N3 Si -","- C9 H21 Cl F3 N3 Si -","- C54 H126 Cl6 F18 N18 Si6 -","6","0.333333","","Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Preparation and structure of the unique silicon(iv) cation [SiF3(Me3tacn)]+","Chemical Communications","2009","","11","1334","1336","10.1039/b822236c","","","0.71073","MoKα","","0.0649","0.0594","","","0.1506","0.1555","","","","","","1.041","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111730","22.4562","0.0003","22.4562","0.0003","72.1481","0.0004","90","","90","","120","","31508.5","0.6","173","2","173","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C47 H51 Ag3 Al N9 O19 S4 -","- C39 H27 Ag3 Al N6 O6 -","- C702 H486 Ag54 Al18 N108 O108 -","18","1","","Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Renouf, Catherine L.; Richardson, Christopher; Stevenson, Anna J.","Dipyridyl β-diketonate complexes: versatile polydentate metalloligands for metal‒organic frameworks and hydrogen-bonded networks","Chemical Communications","2010","46","28","5067","5069","10.1039/c0cc00646g","","","1.54184","CuKα","","0.0767","0.0719","","","0.1893","0.1945","","","","","","1.006","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111731","22.993","0.0006","22.993","0.0006","71.297","0.002","90","","90","","120","","32643.2","1.5","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C45 H45 Ag3 Ga N9 O18 S3 -","- C39 H27 Ag3 Ga N6 O6 -","- C702 H486 Ag54 Ga18 N108 O108 -","18","1","","Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Renouf, Catherine L.; Richardson, Christopher; Stevenson, Anna J.","Dipyridyl β-diketonate complexes: versatile polydentate metalloligands for metal‒organic frameworks and hydrogen-bonded networks","Chemical Communications","2010","46","28","5067","5069","10.1039/c0cc00646g","","","0.71073","MoKα","","0.1102","0.0883","","","0.2698","0.2856","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112974","21.1266","0.0016","21.1266","0.0016","13.967","0.002","90","","90","","120","","5398.7","1","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H7 Cd N3 O4 -","- C10 H7 Cd N3 O4 -","- C180 H126 Cd18 N54 O72 -","18","1","","Gu, Zhi-Gang; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Thallapally, Praveen K.; Tian, Jian; Liu, Jun; Exarhos, Gregory J.","Conversion of nonporous helical cadmium organic framework to a porous form.","Chemical communications (Cambridge, England)","2010","46","29","5373","5375","10.1039/c0cc01042a","","","0.71073","MoKα","","0.0177","0.0168","","","0.0407","0.0413","","","","","","1.043","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112975","20.6556","0.0006","20.6556","0.0006","13.3915","0.0007","90","","90","","120","","4948.1","0.3","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C8 H6 Cd N4 O4 -","- C8 H6 Cd N4 O4 -","- C144 H108 Cd18 N72 O72 -","18","1","","Gu, Zhi-Gang; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Thallapally, Praveen K.; Tian, Jian; Liu, Jun; Exarhos, Gregory J.","Conversion of nonporous helical cadmium organic framework to a porous form.","Chemical communications (Cambridge, England)","2010","46","29","5373","5375","10.1039/c0cc01042a","","","0.71073","MoKα","","0.0196","0.018","","","0.0373","0.038","","","","","","1.048","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7114428","33.6224","0.0011","33.6224","0.0011","15.2549","0.0007","90","","90","","120","","14934.7","1","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 I3 La N11.17 -","- C25.3333 H29.5 I3 La N11.1667 -","- C456 H531 I54 La18 N201 -","18","1","","Karmazin, Lydia; Mazzanti, Marinella; Gateau, Christelle; Hill, Clément; Pécaut, Jacques","The important effect of ligand architecture on the selectivity of metal ion recognition in An(iii)/Ln(iii) separation with N-donor extractants","Chemical Communications","2002","","23","2892","2893","10.1039/b209840g","","","0.71073","MoKα","","0.0265","0.0215","","","0.0464","0.0475","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114625","25.053","0.002","25.053","0.002","9.645","0.0013","90","","90","","120","","5242.7","0.9","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C234 H270 N18 O36 -","18","1","","Xue Zhang; Yifei Li; Hui Shi; Lunan Zhang; Shanshan Zhang; Xianxiu Xu; Qun Liu","Rhodium(III)-catalyzed intramolecular amidoarylation and hydroarylation of alkyne via C-H activation: switchable synthesis of 3,4-fused tricyclic indoles and chromans","Chem.Commun.","2014","50","","7306","","10.1039/C4CC02398F","","","0.71069","MoKα","","0.0843","0.0552","","","0.1344","0.1525","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115054","18.4508","0.0007","18.4508","0.0007","16.8934","0.0007","90","","90","","120","","4980.6","0.3","173","2","173","2","","","","","","","synthesis as described","6","R 3 c :H","R 3 -2""c","161","[CeCl{N(SiMe3)2}3]","","","- C18 H54 Ce Cl N3 Si6 -","- C18 H54 Ce Cl N3 Si6 -","- C108 H324 Ce6 Cl6 N18 Si36 -","6","0.333333","","Eisenstein, Odile; Hitchcock, Peter B.; Hulkes, Alexander G.; Lappert, Michael F.; Maron, Laurent","Cerium masquerading as a Group 4 element: synthesis, structure and computational characterisation of [CeCl{N(SiMe3)2}3]","Chemical Communications","2001","","17","1560","","10.1039/b103634n","","x-ray","0.71073","MoKα","","0.025","0.0231","","","0.0558","0.0568","","","","","","1.047","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7119172","18.6042","0.0006","18.6042","0.0006","51.5285","0.0019","90","","90","","120","","15445.4","0.9","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C105 H69 Cd3 F9 N15 O24 Re3 -","- C105 H69 Cd3 F9 N15 O24 Re3 -","- C630 H414 Cd18 F54 N90 O144 Re18 -","6","0.333333","","Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi","Post-synthetic modifications of cadmium-based knots and links","Chem.Commun.","2016","52","","7398","","","","","1.54178","CuKα","","0.0434","0.0409","","","0.1078","0.1131","","","","","","1.081","","","","has coordinates","186025","2020-10-21","18:00:00",""
"7119372","18.7282","0.0006","18.7282","0.0006","34.3232","0.0011","90","","90","","120","","10425.8","0.6","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C28 H26 B N S -","- C28 H26 B N S -","- C504 H468 B18 N18 S18 -","18","1","","Neena, Kalluvettukuzhy K.; Sudhakar, Pagidi; Dipak, Kumbhar; Thilagar, Pakkirisamy","Diarylboryl-phenothiazine based multifunctional molecular siblings.","Chemical communications (Cambridge, England)","2017","53","26","3641","3644","10.1039/c6cc09717k","","","0.71073","MoKα","","0.1226","0.0639","","","0.1221","0.1568","","","","","","0.989","","","","has coordinates","194957","2020-10-21","18:00:00",""
"7119813","23.7294","0.0015","23.7294","0.0015","34.604","0.003","90","","90","","120","","16874","2","120","2","120","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C111 H111 B3 Co N9 Na O4 -","- C111 H111 B3 Co N9 Na O3.9999 -","- C666 H666 B18 Co6 N54 Na6 O23.9994 -","6","0.333333","","Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P.","Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation.","Chemical communications (Cambridge, England)","2017","53","30","4211","4214","10.1039/c7cc01172e","","","0.71073","MoKα","","0.0739","0.0604","","","0.1439","0.151","","","","","","1.066","","","","has coordinates","196273","2020-10-21","18:00:00",""
"7123215","5.62949","0.0001","5.62949","0.0001","14.0273","0.0004","90","","90","","120","","384.984","0.015","5","","5","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Bi6 Fe4.2 O18 Sc1.8 -","- Bi6 Fe4.2 O18.0002 Sc1.8 -","- Bi6 Fe4.2 O18.0002 Sc1.8 -","1","0.0555556","","Khalyavin, Dmitry; Salak, Andrei; Frtman, Elena; Kotlyar, Oleksandr; Eardley, Edwin; Olekhnovich, N. M.; Pushkarev, Anatoli; Radyush, Yury; Fedorchenko, Alexey; Desnenko, Vladimir; Manuel, Pascal; Ding, Lei; Cizmar, Erik; Feher, Alexander","Phenomenon of Conversion Polymorphism in Bi-Containing Metastable Perovskites","Chemical Communications","2019","","","","","10.1039/C9CC00472F","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","4.096","","","","","","","","has coordinates","214351","2020-10-21","18:00:00",""
"7123598","29.6855","0.0015","29.6855","0.0015","11.124","0.002","90","","90","","120","","8489.5","1.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C23 H16 F N O2 -","- C23 H16 F N O2 -","- C414 H288 F18 N18 O36 -","18","1","","Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng","FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines","Chemical Communications","2019","","","","","10.1039/C9CC03375K","","x-ray","0.71073","MoKα","","0.0912","0.0523","","","0.0995","0.1127","","","","","","1.06","","","","has coordinates","215691","2020-10-21","18:00:00",""
"7123665","13.1448","0.0005","13.1448","0.0005","26.2723","0.0011","90","","90","","120","","3931.3","0.3","150","2","150","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H21 N3 O6 -","- C24 H21 N3 O6 -","- C144 H126 N18 O36 -","6","0.333333","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0472","0.0428","","","0.1304","0.1346","","","","","","1.118","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123667","12.6283","0.0003","12.6283","0.0003","26.611","0.001","90","","90","","120","","3675.21","0.19","150","2","150","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C144 H126 N18 O18 -","6","0.333333","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0374","0.0358","","","0.0957","0.0971","","","","","","1.061","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7127406","17.85648","0.00015","17.85648","0.00015","16.97342","0.00015","90","","90","","120","","4686.96","0.07","150","0.1","150","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl Ge N3 Si6 -","- C18 H54 Cl Ge N3 Si6 -","- C108 H324 Cl6 Ge6 N18 Si36 -","6","0.333333","","Barrett, A. N.; Sanderson, H. J.; Mahon, M. F.; Webster, R. L.","Hydrophosphination using [GeCl{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>3</sub>] as a pre-catalyst.","Chemical communications (Cambridge, England)","2020","56","88","13623","13626","10.1039/d0cc05792d","","","1.54184","CuKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.111","","","","has coordinates","260635","2021-01-07","04:39:36",""
"7129143","33.8915","0.001","33.8915","0.001","7.0535","0.0013","90","","90","","120","","7016.4","1.3","99.9","","99.9","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(E,E)-1,3-distyryl-5-fluorouracil","","- C20 H15 F N2 O2 -","- C20 H15 F N2 O2 -","- C360 H270 F18 N36 O36 -","18","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0803","0.0537","","","0.0966","0.1076","","","","","","1.052","","","","has coordinates","270026","2021-10-19","22:03:02",""
"7129162","18.134","0.002","18.134","0.002","13.1827","0.0013","90","","90","","120","","3754.2","0.7","173","2","173","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C5 H13 Cl2 N -","- C5 H13 Cl2 N -","- C90 H234 Cl36 N18 -","18","1","","Kunkel, Chantal; Bolte, Michael; Lerner, Hans-Wolfram; Albert, Philipp; Wagner, Matthias","Subvalent mixed SixGey oligomers: (Cl3Si)4Ge and Cl2(Me2EtN)SiGe(SiCl3)2","Chemical Communications","2021","","","","","10.1039/D1CC05604B","","","0.71073","MoKα","","0.0308","0.0284","","","0.0664","0.0671","","","","","","0.995","","","","has coordinates","270166","2021-10-29","21:56:47",""
"7133252","13.5991","0.0002","13.5991","0.0002","52.4778","0.0008","90","","90","","120","","8404.8","0.2","213","","213","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C61 H68 Cl2 O13 -","- C60.9993 H67.9986 Cl1.9998 O12.9999 -","- C365.996 H407.992 Cl11.9988 O77.9994 -","6","0.333333","","Liu, Rui; Li, Ming; Liu, Zhongwen; Hua, Bin","Separation of cyclohexanol from cyclohexanol/cyclohexene mixtures by crystals of pillar[6]arene containing three benzoquinone units.","Chemical communications (Cambridge, England)","2024","60","59","7626","7629","10.1039/d4cc02407a","","","1.34139","GaKα","","0.0609","0.0529","","","0.1508","0.1593","","","","","","1.057","","","","has coordinates,has disorder","293711","2024-08-05","17:32:58",""
"7133507","41.229","0.002","41.229","0.002","20.2204","0.0015","90","","90","","120","","29766","3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C46 H47 Co F12 N11 P2 -","- C46 H47 Co F12 N11 P2 -","- C828 H846 Co18 F216 N198 P36 -","18","1","","Bhandari, Anirban; Park, Gyeong Min; Lee, Heui Beom; Hong, Sugyeong; Kim, Sun Hee; Byon, Hye Ryung; Lee, Yunho","A stable radical within a N-Co-N core.","Chemical communications (Cambridge, England)","2024","60","73","9970","9973","10.1039/d4cc02146k","","","0.71073","MoKα","","0.065","0.0463","","","0.1137","0.1282","","","","","","1.013","","","","has coordinates","295100","2024-10-06","05:07:43",""
"7133542","35.575","0.002","35.575","0.002","6.6823","0.0006","90","","90","","120","","7324","0.9","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","dDTCO","dDTCO","","- C20 H8 O2 S4 -","- C20 H8 O2 S4 -","- C360 H144 O36 S72 -","18","1","","Adachi, Yohei; Hattori, Yuto; Mikie, Tsubasa; Osaka, Itaru; Ohshita, Joji","Twisted diphenoquinones fused with thiophene rings: thiophene analogs of bianthrone.","Chemical communications (Cambridge, England)","2024","60","75","10410","10413","10.1039/d4cc02943g","","","0.71073","MoKa","","0.025","0.0235","","","0.0555","0.0566","","","","","","1.029","","","","has coordinates","295128","2024-10-06","05:50:49",""
"7134041","26.9537","0.0008","26.9537","0.0008","9.8807","0.0005","90","","90","","120","","6216.6","0.4","100","","100","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C252 H180 I18 N54 O36 -","18","1","","Antonkin, Nikita S.; Vlasenko, Yulia A.; Puylaert, Pim; Nachtsheim, Boris J.; Postnikov, Pavel S.","N-Heterocycle-coordinated <i>λ</i><sup>5</sup>-iodanes as IBX alternatives for alcohol oxidations.","Chemical communications (Cambridge, England)","2025","61","4","756","759","10.1039/d4cc05058d","","x-ray","0.71073","MoKα","","0.029","0.0273","","","0.0523","0.0528","","","","","","1.086","","","","has coordinates","298010","2025-03-04","18:19:06",""
"7152238","16.5754","0.0005","16.5754","0.0005","7.5796","0.0005","90","","90","","120","","1803.45","0.14","100","","100","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","sumanene","sumanene","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Mebs, Stefan; Weber, Manuela; Luger, Peter; Schmidt, Bernd M.; Sakurai, Hidehiro; Higashibayashi, Shuhei; Onogi, Satoru; Lentz, Dieter","Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon.","Organic & biomolecular chemistry","2012","10","11","2218","2222","10.1039/c2ob07040e","","","0.71073","MoKα","","0.031","0.022","","","","0.046","0.036","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152479","36.714","0.004","36.714","0.004","15.1151","0.0015","90","","90","","120","","17644","3","193","2","193","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C46 H32 O2 -","- C46 H32 O2 -","- C828 H576 O36 -","18","1","","Fort, Eric H.; Scott, Lawrence T.","Facile air-oxidation of large aromatic hydrocarbon bay regions to bay region quinones: predicted oxygen-sensitivity of hydrogen-terminated carbon nanotubes.","Organic & biomolecular chemistry","2012","10","30","5747","5749","10.1039/c2ob25208b","","","0.71073","MoKα","","0.0874","0.0628","","","0.1718","0.1886","","","","","","1.069","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7158504","32.7473","0.0004","32.7473","0.0004","9.7272","0.0001","90","","90","","120","","9033.78","0.18","170","2","170.04","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C22 H23 F3 N2 O -","- C22 H23 F3 N2 O -","- C396 H414 F54 N36 O18 -","18","1","","Ma, Wei-Wei; Yang, Chao; Xie, Qiang; Xu, Yun-He","Dienylation of <i>N</i>-benzoylhydrazones with CF<sub>3</sub>-substituted homoallenylboronates in water.","Organic & biomolecular chemistry","2022","20","7","1386","1390","10.1039/d1ob02335g","","","1.34139","GaKα","","0.0409","0.0336","","","0.0729","0.0771","","","","","","1.106","","","","has coordinates","273429","2022-03-04","22:24:59",""
"7160223","29.5567","0.0006","29.5567","0.0006","18.0997","0.0005","90","","90","","120","","13693.5","0.5","93","2","93","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C36 H30 N6 O6 -","- C36 H30 N6 O6 -","- C648 H540 N108 O108 -","18","1","","Koike, Daiki; Masu, Hyuma; Kikkawa, Shoko; Chiba, Ayako; Kamohara, Kaho; Okuda, Arisa; Hikawa, Hidemasa; Azumaya, Isao","Chiral spherical aromatic amides: one-step synthesis and their stereochemical/chiroptical properties","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01458H","","","0.71073","MoKα","","0.2395","0.0931","","","0.1965","0.2615","","","","","","1.03","","","","has coordinates,has disorder","295830","2024-11-08","01:42:50",""
"7203755","19.1098","0.0008","19.1098","0.0008","10.2052","0.0006","90","","90","","120","","3227.5","0.3","90","2","90","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","ca.02.b33.1","","","- C24 H21 O6 P -","- C24 H21 O6 P -","- C144 H126 O36 P6 -","6","0.333333","","Ablan, Christopher D.; Sheppard, Daniel; Beckman, Eric J.; Olmstead, Marilyn M.; Jessop, Philip G.","Solubility of several analogues of triphenylphosphine in carbon dioxide","Green Chemistry","2005","7","8","590","","10.1039/b502442k","","","0.71073","MoKα","","0.0421","0.0399","","","0.1046","0.1066","","","","","","1.067","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7204276","20.627","0.002","20.627","0.002","9.766","0.001","90","","90","","120","","3598.5","0.6","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","4-phenylimidazole","","- C9 H8 N2 -","- C9 H8 N2 -","- C162 H144 N36 -","18","1","","Claramunt, Rosa M.; Santa María, María Dolores; Infantes, Lourdes; Cano, Félix H.; Elguero, José","The annular tautomerism of 4(5)-phenylimidazole","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","564","","10.1039/b109079h","","","1.5418","xray_synch","","0.068","0.05","","0.06","0.058","","","","0.905","0.907","0.907","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204321","10.9493","0.0005","10.9493","0.0005","26.7099","0.0013","90","","90","","120","","2773.2","0.2","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Sodium zinc arsenate","","","- As3 H12 Na3 O19 Zn4 -","- As3 H12 Na3 O19 Zn4 -","- As18 H72 Na18 O114 Zn24 -","6","0.333333","","Yeates, Rachel M.; Harrison, William T. A.","Synthesis, crystal structure and properties of Na3Zn4O(AsO4)3·6H2O, a new framework zincoarsenate","Journal of Materials Chemistry","2002","12","4","1103","","10.1039/b110288e","","","0.71073","MoKα","","0.0239","0.0211","","","0.0419","0.0423","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204482","14.7856","0.0014","14.7856","0.0014","33.637","0.009","90","","90","","120","","6368.3","1.9","293","2","293","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C24 H60 Ag3 I4 Mo N3 O S3 -","- C24 H60 Ag3 I4 Mo N3 O S3 -","- C144 H360 Ag18 I24 Mo6 N18 O6 S18 -","6","0.333333","","Zhang, Chi; Song, Yinglin; Wang, Xin; Kühn, Fritz E.; Wang, Yuxiao; Xu, Yan; Xin, Xinquan","Large third-order optical nonlinearity of two cubane-like clusters containing oxotrithiometalate anions and silver: synthesis, characterization, reactivity, and NLO properties‒structure correlation","Journal of Materials Chemistry","2003","13","3","571","","10.1039/b205450g","","","0.71073","MoKα","","0.0495","0.0404","","","0.1013","0.1075","","","","","","1.004","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7205415","20.4711","0.0017","20.4711","0.0017","9.5827","0.0014","90","","90","","120","","3477.8","0.7","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C162 H198 N6 O18 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0748","0.0547","","","0.122","0.1295","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205416","12.5863","0.0001","12.5863","0.0001","28.7108","0.0005","90","","90","","120","","3938.87","0.08","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C162 H204 Cl6 N6 O42 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0449","0.0326","","","0.0848","0.0906","","","","","","0.956","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7208814","20.925","0.002","20.925","0.002","20.61","0.002","90","","90","","120","","7815.2","1.3","298","2","298","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C258 H324 Cl18 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0519","0.0373","","","0.0799","0.0858","","","","","","1.033","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208815","20.6498","0.0008","20.6498","0.0008","20.3322","0.0013","90","","90","","120","","7508.4","0.6","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C43 H57 Cu4 N10 O3 S4 -","- C43 H57 Cu4 N10 O3 S4 -","- C258 H342 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0592","0.0358","","","0.0722","0.0816","","","","","","1.029","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7209052","21.8547","0.0012","21.8547","0.0013","16.8466","0.0012","90","","90","","120","","6968.4","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 Cu3 N12 O6 S3 -","- C33 H54 Cu3 N12 O6 S3 -","- C198 H324 Cu18 N72 O36 S18 -","6","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","0.0299","","","0.0645","0.0712","","","","","","1.036","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7212201","36.286","0.0017","36.286","0.0017","21.425","0.003","90","","90","","120","","24430","4","273","2","273","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6 H32 As8 N4 O46 V14 -","- C6 H24 As8 N4 O46 V14 -","- C108 H432 As144 N72 O828 V252 -","18","1","","Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min","Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates","CrystEngComm","2010","12","6","1949","","10.1039/b921928e","","","0.71073","MoKα","","0.082","0.0546","","","0.1341","0.1482","","","","","","1.015","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212385","22.649","0.004","22.649","0.004","7.744","0.001","90","","90","","120","","3440.3","1","303","1","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H21 Eu O6 -","- C27 H21 Eu O6 -","- C162 H126 Eu6 O36 -","6","0.333333","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.019","","","","0.024","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212386","22.647","0.004","22.647","0.004","7.703","0.001","90","","90","","120","","3421.5","1","303","1","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H21 O6 Tb -","- C27 H21 O6 Tb -","- C162 H126 O36 Tb6 -","6","0.333333","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.035","","","","0.038","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212387","22.654","0.006","22.654","0.006","7.722","0.002","90","","90","","120","","3432","1.6","301","1","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H21 Gd O6 -","- C27 H21 Gd O6 -","- C162 H126 Gd6 O36 -","6","0.333333","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.018","","","","0.022","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212394","22.636","0.002","22.636","0.002","7.7554","0.001","90","","90","","120","","3441.4","0.6","301","1","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H21 La O6 -","- C27 H21 La O6 -","- C162 H126 La6 O36 -","6","0.333333","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.031","","","","0.034","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212395","22.646","0.002","22.646","0.002","7.9212","0.0007","90","","90","","120","","3518.1","0.5","301","1","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H21 Ce O6 -","- C27 H21 Ce O6 -","- C162 H126 Ce6 O36 -","6","0.333333","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.018","","","","0.021","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212396","22.657","0.003","22.657","0.003","7.83","0.001","90","","90","","120","","3480.9","0.8","301","1","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H21 Nd O6 -","- C27 H21 Nd O6 -","- C162 H126 Nd6 O36 -","6","0.333333","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.015","","","","0.017","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212397","22.646","0.002","22.646","0.002","7.767","0.0011","90","","90","","120","","3449.6","0.7","301","1","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H21 O6 Sm -","- C27 H21 O6 Sm -","- C162 H126 O36 Sm6 -","6","0.333333","","Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak","Nonlinear optical activity in dipolar organic‒lanthanide complexes","Journal of Materials Chemistry","2010","20","20","4074","","10.1039/b926376d","","","0.71073","MoKα","","","0.015","","","","0.018","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212651","23.752","0.002","23.752","","14.2281","0.0012","90","","90","","120","","6951.5","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","[Cu3(OX1)2(MeCN)3](ClO4)3","","- C36 H39 Cl3 Cu3 N9 O18 -","- C36 H39 Cl3 Cu3 N9 O18 -","- C216 H234 Cl18 Cu18 N54 O108 -","6","0.333333","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1065","0.0551","","","0.088","0.1034","","","","","","0.891","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7214372","19.2271","0.0004","19.2271","0.0004","10.2751","0.0002","90","","90","","120","","3289.61","0.12","298","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C144 H180 N24 O18 -","6","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0379","0.0349","","","0.1059","0.1095","","","","","","0.906","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7217602","23.7747","0.0014","23.7747","0.0014","28.216","0.004","90","","90","","120","","13812","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C28 H30 N4 Ni O8 P2 -","- C28 H30 N4 Ni O8 P2 -","- C504 H540 N72 Ni18 O144 P36 -","18","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1272","0.0666","","","0.1512","0.1891","","","","","","1.013","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217864","31.4162","0.0016","31.4162","0.0016","14.1226","0.0014","90","","90","","120","","12071.3","1.5","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H28.5 In N4.5 O13 -","- C14 H10.5 In N3.5 O8 -","- C252 H189 In18 N63 O144 -","18","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.05","0.0461","","","0.1256","0.1307","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219621","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang","Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB)","CrystEngComm","2015","17","12","2569","","10.1039/C4CE02182G","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7222417","10.6755","","10.6755","","38.9339","","90","","90","","120","","3842.69","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sr9.04 Ni1.02 Na0.88 (P O4)7","","- Na0.88 Ni1.02 O28 P7 Sr9.04 -","- Na0.88 Ni1.02 O28 P7 Sr9.04 -","- Na5.28 Ni6.12 O168 P42 Sr54.24 -","6","0.333333","","Belik, A.A.; Izumi, F.; Ikeda, T.; Malakho, A.P.; Lazoryak, B.I.","Strontium phosphates with beta-(Ca3 (P O4)2)-type structures: Sr9 Ni Li (P O4)7, Sr9.04 Ni1.02 Na0.88 (P O4)7 and Sr9.08 Ni1.04 K0.76 (P O4)7","Journal of Materials Chemistry","2002","12","","3803","3808","","","","","","","","","","","","","","","","","","","","","","has coordinates","159944","2020-10-21","18:00:00",""
"7222418","10.7128","","10.7128","","38.9492","","90","","90","","120","","3871.11","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sr9.08 Ni1.04 K0.76 (P O4)7","","- K0.76 Ni1.04 O28 P7 Sr9.08 -","- K0.76 Ni1.04 O28 P7 Sr9.08 -","- K4.56 Ni6.24 O168 P42 Sr54.48 -","6","0.333333","","Belik, A.A.; Izumi, F.; Ikeda, T.; Malakho, A.P.; Lazoryak, B.I.","Strontium phosphates with beta-(Ca3 (P O4)2)-type structures: Sr9 Ni Li (P O4)7, Sr9.04 Ni1.02 Na0.88 (P O4)7 and Sr9.08 Ni1.04 K0.76(P O4)7","Journal of Materials Chemistry","2002","12","","3803","3808","","","","","","","","","","","","","","","","","","","","","","has coordinates","159947","2020-10-21","18:00:00",""
"7222626","7.721","","7.721","","12.212","","90","","90","","120","","630.47","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","N H4 (F (H F)3)","","- F4 H7 N -","- F4 H7 N -","- F24 H42 N6 -","6","0.333333","","Mootz, D.; Poll, W.","Fluoride und Fluorosaeuren, VI. Verbindungsbildung und Kristallstrukturen im System Ammoniak-Fluorwasserstoff","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1984","39","","290","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222866","11.375","","11.375","","13.596","","90","","90","","120","","1523.51","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- K3 Sb Se4 -","- K3 Sb Se4 -","- K18 Sb6 Se24 -","6","0.333333","","Eisenmann, B.; Zagler, R.","Selenoantimonate(V): Darstellung und Struktur von Na3SbSe4, K3SbSe4 und (Ba(En)4)2(Ba(En)3)(SbSe4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","249","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7223296","24.0596","0.0008","24.0596","0.0008","13.2216","0.0007","90","","90","","120","","6628.1","0.5","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","[Cd(C6N2H5O2)2]3n(H2O)4n","[Cd(C6N2H5O2)2]3n(H2O)4n","","- C36 H38 Cd3 N12 O16 -","- C36 H30 Cd3 N12 O16 -","- C216 H180 Cd18 N72 O96 -","6","0.333333","","Zhou, Wei-Wei; Wei, Bo; Wang, Feng-Wu; Fang, Wen-Yan; Liu, Dao-Fu; Wei, Yi-Jun; Xu, Mai; Zhao, Xing; Zhao, Wang","An Acentric 3-D Metal-Organic Framework with Threefold Interpenetrated Diamondoid Network: Second-Harmonic-Generation Response, Potential Ferroelectric Property and Photoluminescence","RSC Adv.","2015","","","","","10.1039/C5RA20719C","","","0.71073","MoKα","","0.0227","0.0219","","","0.0466","0.0469","","","","","","1.058","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7224810","29.9017","0.0019","29.9017","0.0019","96.281","0.006","90","","90","","120","","74553","8","100","","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C35.54 H40.21 O10.3 -","- C35.519 H40.1572 O10.2964 -","- C2557.37 H2891.32 O741.342 -","72","4","","Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L.","Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene","CrystEngComm","2016","18","17","3015","","10.1039/C6CE00698A","","","0.71073","MoKα","","0.0846","0.0577","","","0.1501","0.1653","","","","","","1.038","","","","has coordinates,has disorder","203909","2020-10-21","18:00:00",""
"7228183","19.642","0.005","19.642","0.005","49.236","0.015","90","","90","","120","","16451","8","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H78 Mg10 N18 O61 S -","- C66 H78 Mg10 N18 O61.0002 S -","- C396 H468 Mg60 N108 O366.001 S6 -","6","0.333333","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1893","0.114","","","0.2866","0.3394","","","","","","1.097","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7232185","10.9801","0.0009","10.9801","0.0009","38.5568","0.0012","90","","90","","120","","4025.7","0.5","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca6.983 O28 Pb3.517 V7 -","- Ca6.982 O28 Pb3.5185 V7 -","- Ca41.892 O168 Pb21.111 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71069","MoKα","","0.0393","0.0347","","","0.0456","0.047","","","","1.02","1.02","1.01","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232186","11.0594","0.0011","11.0594","0.0011","38.8813","0.0014","90","","90","","120","","4118.5","0.6","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca5.606 O28 Pb4.894 V7 -","- Ca5.605 O28 Pb4.895 V7 -","- Ca33.63 O168 Pb29.37 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0488","0.0378","","","0.0472","0.0497","","","","1.09","1.09","1.04","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232187","10.922","0.0002","10.922","0.0002","38.3133","0.0009","90","","90","","120","","3958.08","0.14","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca8.649 O28 Pb1.851 V7 -","- Ca8.6491 O28 Pb1.851 V7 -","- Ca51.8946 O168 Pb11.106 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0794","0.0484","","","0.0368","0.0455","","","","1.04","1.04","1.03","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7233142","10.3883","0.0001","10.3883","0.0001","37.2221","0.0006","90","","90","","120","","3478.73","0.07","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Tricalcium Phosphate:Mn","Tricalcium Phosphate:Mn","","- Ca28.85 Mn2.66 O84 P21 -","- Ca28.845 Mn2.655 O84 P21 -","- Ca57.69 Mn5.31 O168 P42 -","2","0.111111","","Aurelie Bessiere; Aurelie Lecointre; Rajia Ait Benhamou; Emmanuelle Suard; Gilles Wallez; Bruno Viana","How to induce red persistent luminescence in biocompatible Ca3(PO4)2","Journal of Materials Chemistry C","2013","1","","1252","1259","10.1039/C2TC00138A","powder diffraction","","1.59438","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.9806","3.11","","","","","","","has coordinates","217059","2020-10-21","18:00:00",""
"7233675","5.58197","0.000034","5.58197","","13.87773","0.00009","90","","90","","120","","374.476","0.003","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold","Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics","Journal of Materials Chemistry C","2014","2","","3345","3360","10.1039/C3TC32345E","powder diffraction","neutron","","","","","","","","","","0.0725","","1.24","","","","","","","has coordinates","218012","2020-10-21","18:00:00",""
"7236075","23.452","0.004","23.452","0.004","79.27","0.03","90","","90","","120","","37757","17","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C120 H72 O27 Zn8 -","- C120 H72 O27 Zn8 -","- C720 H432 O162 Zn48 -","6","0.333333","","He, Hongming; Song, Yang; Sun, Fuxing; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","A porous metal‒organic framework formed by a V-shaped ligand and Zn(ii) ion with highly selective sensing for nitroaromatic explosives","Journal of Materials Chemistry A","2015","3","32","16598","","10.1039/C5TA03537F","","","0.71073","MoKα","","0.0669","0.0384","","","0.0779","0.084","","","","","","0.86","","","","has coordinates","233903","2020-10-21","18:00:00",""
"7237198","30.9254","0.0009","30.9254","0.0009","19.313","0.0014","90","","90","","120","","15996","1.3","296","2","296","2","","","","","","","syntetic","7","R 3 c :H","R 3 -2""c","161","Pyrazoline Co(II) complex","bis(thiocabamoylpirazoline)Co(II) Chloride","","- C34 H34 Cl2 Co N6 O2 S2 -","- C34 H34 Cl2 Co N6 O2 S2 -","- C612 H612 Cl36 Co18 N108 O36 S36 -","18","1","","Bezerra, Leticia S.; Rosa, Persiely P.; Fortunato, Guilherme V.; Pizzuti, Lucas; Casagrande, Gleison A.; Maia, Gilberto","Electroreduction of a CoIIcoordination complex producing a metal‒organic film with high performance toward electrocatalytic hydrogen evolution","Journal of Materials Chemistry A","2018","6","40","19590","","10.1039/C8TA07340F","","x-ray","0.71073","MoKα","","0.1178","0.0457","","","0.0845","0.1061","","","","","","1.01","","","","has coordinates","237478","2020-10-21","18:00:00",""
"7237365","8.0493","0.0003","8.0493","0.0003","22.26","0.001","90","","90","","120","","1249.03","0.09","179.98","0.1","179.98","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian","On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate","Journal of Materials Chemistry C","2018","6","35","9420","","10.1039/C8TC02421A","","x-ray","0.71073","MoKα","","0.021","0.0193","","","0.047","0.0477","","","","","","1.267","","","","has coordinates","237629","2020-10-21","18:00:00",""
"7238820","21.5221","0.0015","21.5221","0.0015","66.232","0.008","90","","90","","120","","26569","4","160","2","160","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C52 H33 Cd6 N7 O30 -","- C52 H29 Cd6 N7 O30 -","- C468 H261 Cd54 N63 O270 -","9","0.5","","Li, Yun-Wu; Li, Jian-Rong; Wang, Li-Fu; Zhou, Bo-Yu; Chen, Qiang; Bu, Xian-He","Microporous metal‒organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions","J. Mater. Chem. A","2013","1","3","495","","10.1039/C2TA00635A","","","0.71073","MoKα","","0.0402","0.0387","","","0.0855","0.0861","","","","","","0.956","","","","has coordinates,has disorder","244385","2020-10-21","18:00:00",""
"7239556","25.7369","0.0005","25.7369","0.0005","61.601","0.002","90","","90","","120","","35337.1","1.5","113","2","113","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C402 H338 Cd17 N2 O116 -","- C401.94 H337.86 Cd17 N1.98 O115.98 -","- C1205.82 H1013.58 Cd51 N5.94 O347.94 -","3","0.166667","","Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He","A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives","J. Mater. Chem. A","2014","2","5","1465","","10.1039/C3TA13983B","","","0.71073","MoKα","","0.0539","0.0492","","","0.1254","0.1278","","","","","","1.026","","","","has coordinates,has disorder","244768","2020-10-21","18:00:00",""
"7241701","27.8","0.001","27.8","0.001","21.5997","0.0008","90","","90","","120","","14456.7","0.9","100","2","100","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C27 H41 Cu F6 N2 O1.5 Sb -","- C27 H41 Cu F6 N2 O1.5 Sb -","- C486 H738 Cu18 F108 N36 O27 Sb18 -","18","1","","Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika","Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.","Physical chemistry chemical physics : PCCP","2021","23","2","1577","1583","10.1039/d0cp05222a","","","0.71073","MoKα","","0.0412","0.0377","","","0.096","0.0982","","","","","","1.04","","","","has coordinates","261768","2021-02-04","23:31:54",""
"7242171","27.2403","0.001","27.2403","0.001","31.01","0.002","90","","90","","120","","19927.7","1.6","296","2","296.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H24 N6 Ru Se9 Sn4 -","- C30 H24 N6 Ru Se9 Sn4 -","- C540 H432 N108 Ru18 Se162 Sn72 -","18","1","","Zhang, Tao; Hu, Yue-Qiao; Li, Qian-Wen; Chen, Wei-Peng; Zheng, Yan-Zhen","Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response","CrystEngComm","2021","23","9","1881","1884","10.1039/D0CE01685C","","","0.71073","MoKα","","0.0317","0.0293","","","0.0711","0.0726","","","","","","1.031","","","","has coordinates","263723","2021-04-05","14:34:11",""
"7243812","22.9171","0.0016","22.9171","0.0016","15.2853","0.0011","90","","90","","120","","6952.2","0.8","110","","110","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H20 N6 Ni S2 -","- C10 H20 N6 Ni S2 -","- C180 H360 N108 Ni18 S36 -","18","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0527","0.0486","","","0.1178","0.1217","","","","","","1.068","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7244378","15.3547","0.0005","15.3547","0.0005","10.0767","0.0005","90","","90","","120","","2057.46","0.14","296.15","","296.15","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H12 F9 O P -","- C9 H12 F9 O P -","- C54 H72 F54 O6 P6 -","6","0.333333","","Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua","PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group","RSC Advances","2022","12","8","4955","4960","10.1039/D1RA08768A","","","0.71073","MoKα","","0.0408","0.0378","","","0.107","0.1095","","","","","","1.0258","","","","has coordinates","272897","2022-02-10","02:14:32",""
"7244379","15.5366","0.0007","15.5366","0.0007","10.1335","0.0007","90","","90","","120","","2118.4","0.2","363.15","","363.15","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H12 F9 O P -","- C9 H12 F9 O P -","- C54 H72 F54 O6 P6 -","6","0.333333","","Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua","PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group","RSC Advances","2022","12","8","4955","4960","10.1039/D1RA08768A","","x-ray","0.71073","MoKα","","0.0666","0.0579","","","0.1613","0.1707","","","","","","1.0036","","","","has coordinates","272897","2022-02-10","02:14:32",""
"7246426","27.6725","0.0006","27.6725","0.0006","12.4913","0.0004","90","","90","","120","","8283.9","0.4","125","2","125","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H28 Cl2 Mo N2 O2 -","- C12 H28 Cl2 Mo N2 O2 -","- C216 H504 Cl36 Mo18 N36 O36 -","18","1","","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T","Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.","Physical chemistry chemical physics : PCCP","2023","25","12","8336","8340","10.1039/d2cp05341a","","","0.71073","MoKα","","0.0352","0.0232","","","0.0424","0.0489","","","","","","1.165","","","","has coordinates","283510","2023-05-05","03:36:12",""
"7247878","20.134","0.004","20.134","0.004","38.292","0.008","90","0.03","90","0.03","120","0.03","13443","6","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 Cd3 N12 O39 -","- C72 H90 Cd3 N12 O39 -","- C432 H540 Cd18 N72 O234 -","6","0.333333","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.1134","0.0582","","","0.1069","0.1292","","","","","","1.032","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7249394","17.1463","0.0005","17.1463","0.0005","17.0555","0.0007","90","","90","","120","","4342.5","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C27 H25 B N9 Na S3 -","- C27 H25 B N9 Na S3 -","- C162 H150 B6 N54 Na6 S18 -","6","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0399","0.0343","","","0.0782","0.0852","","","","","","1.18","","","","has coordinates","294917","2024-09-27","01:26:51",""
"7249396","17.4388","0.0008","17.4388","0.0008","16.8446","0.0007","90","","90","","120","","4436.3","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C27 H25 B K N9 S3 -","- C27 H25 B K N9 S3 -","- C162 H150 B6 K6 N54 S18 -","6","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0605","0.0452","","","0.0962","0.1122","","","","","","1.267","","","","has coordinates","294917","2024-09-27","01:27:01",""
"7249499","22.9353","0.0004","22.9353","0.0004","15.9392","0.0003","90","","90","","120","","7261.2","0.2","295","0.1","295","0.1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C8 H5 O7.5 Zn2 -","- C8 H2 O6 Zn2 -","- C144 H36 O108 Zn36 -","18","1","","Starodubtseva, Alena A.; Dubrovskiy, Vladislav A.; Malik, Seiilbek D.; Lyssenko, Konstantin A.; Sembayeva, Aliya M.; Morontsev, Aleksandr A.; Galeyeva, Alina K.; Trussov, Ivan A.","Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent","CrystEngComm","2024","26","43","6161","6171","10.1039/D4CE00905C","","x-ray","0.71073","MoKα","","0.0763","0.0724","","","0.1925","0.1974","","","","","","1.089","","","","has coordinates,has disorder","296444","2024-12-06","17:24:47",""
"7701373","22.1079","0.0013","22.1079","0.0013","13.2561","0.0015","90","","90","","120","","5611","0.8","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ce9 I36 K3 O108 -","- Ce9 I36 K3 O108 -","- Ce18 I72 K6 O216 -","2","0.111111","","Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3672","3675","10.1039/c9dt03628h","","","0.71073","MoKα","","0.0483","0.0476","","","0.1211","0.1217","","","","","","1.099","","","","has coordinates","250316","2020-10-21","18:00:00",""
"7701374","21.9793","0.0011","21.9793","0.0011","13.0846","0.0012","90","","90","","120","","5474.2","0.6","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ce9 I36 La0.3 O108 -","- Ce9 I36 La0.3 O108 -","- Ce18 I72 La0.6 O216 -","2","0.111111","","Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3672","3675","10.1039/c9dt03628h","","","0.71073","MoKα","","0.032","0.03","","","0.0749","0.0757","","","","","","1.047","","","","has coordinates","250316","2020-10-21","18:00:00",""
"7702095","23.1413","0.0015","23.1413","","6.4155","0.0002","90","","90","","120","","2975.3","0.2","","","300","","","","100","","","","","4","R 3 c :H","R 3 -2""c","161","","Iodylbenzene","","- C6 H5 I O2 -","- C6 H5 I O2 -","- C108 H90 I18 O36 -","18","1","","Wegeberg, Christina; Frankær, Christian Grundahl; McKenzie, Christine J.","Reduction of hypervalent iodine by coordination to iron(iii) and the crystal structures of PhIO and PhIO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17714","17722","10.1039/c6dt02937j","powder diffraction","x-ray","1.54051","Kα~1,2~","","","","","","0.09728","","0.36267","","8.224","","","","","","","has coordinates","234749","2020-10-21","18:00:00",""
"7702819","17.372","0.004","17.372","0.004","21.52","0.008","90","","90","","120","","5624","3","223","2","223","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C30 H54 As3 O6 P -","- C30 H54 As3 O6 P -","- C180 H324 As18 O36 P6 -","6","0.333333","","Jones, Cameron; Junk, Peter C.; Williams, Thomas C.","Synthesis and structural characterisation of the first tris(diacylpnictido)phosphines, P[E{C(O)R}2]3, E = P or As, R = But or Ph","Journal of the Chemical Society, Dalton Transactions","2002","","12","2417","","10.1039/b203709m","","","0.71073","MoKα","","0.0573","0.0529","","","0.1342","0.1375","","","","","","1.017","","","","has coordinates","244028","2020-10-21","18:00:00",""
"7703311","31.5291","0.0007","31.5291","0.0007","28.0882","0.001","90","","90","","120","","24181.2","1.1","150","2","150.01","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C167 H167 Cu9 N15 O23 P4 -","- C132 H136 Cu9 N15 O23 P4 -","- C792 H816 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0589","0.044","","","0.0935","0.1002","","","","","","0.991","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703312","31.198","0.004","31.198","0.004","27.045","0.005","90","","90","","120","","22797","6","170","2","170","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C159 H150.67 Cu9 N15 O23 P4 -","- C126 H124 Cu9 N15 O23 P4 -","- C756 H744 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0541","0.0376","","","0.0821","0.0864","","","","","","0.889","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7703313","31.38","0.004","31.38","0.004","27.242","0.005","90","","90","","120","","23231","6","170","2","170","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C163 H159 Cu9 N15 O23 P4 -","- C129 H130 Cu9 N15 O23 P4 -","- C774 H780 Cu54 N90 O138 P24 -","6","0.333333","","Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2527","2536","10.1039/c9dt04584h","","","0.71073","MoKα","","0.0964","0.05","","","0.1025","0.1214","","","","","","0.825","","","","has coordinates","248931","2020-10-21","18:00:00",""
"7705675","30.5012","0.0005","30.5012","0.0005","25.1712","0.0007","90","","90","","120","","20280","0.7","398","2","398","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","GaI(Me2IPr)[(NDipp)2C12H5]*0.5tol","","- C49.33 H59.67 Ga I N4 -","- C49.3331 H59.6664 Ga I N4 -","- C887.996 H1074 Ga18 I18 N72 -","18","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0397","0.0328","","","0.0752","0.0816","","","","","","1.035","","","","has coordinates,has disorder","260742","2021-01-07","06:14:42",""
"7706271","9.568","","9.568","","37.542","","90","","90","","120","","2976.39","","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Bi4 I6 O24 Se -","- Bi4 I6 O24 Se -","- Bi24 I36 O144 Se6 -","6","0.333333","","Mao, Fei-Fei; Hu, Jin-Yu; Li, Bing-Xuan; Wu, Hua","Bi<sub>4</sub>O(I<sub>3</sub>O<sub>10</sub>)(IO<sub>3</sub>)<sub>3</sub>(SeO<sub>4</sub>): trimeric condensation of IO<sub>4</sub><sup>3-</sup> monomers into the I<sub>3</sub>O<sub>10</sub><sup>5-</sup> polymeric anion observed in a three-component mixed-anion NLO material.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15597","15601","10.1039/d0dt03399e","","","0.71073","MoKα","","0.052","0.0464","","","0.0959","0.0997","","","","","","1.097","","","","has coordinates","260513","2021-01-05","07:28:03",""
"7707031","12.0113","0.0009","12.0113","0.0009","41.778","0.003","90","","90","","120","","5219.9","0.7","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C36 H36 Ge Li N9 -","- C36 H36 Ge Li N9 -","- C216 H216 Ge6 Li6 N54 -","6","0.333333","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0301","0.025","","","0.0659","0.0681","","","","","","1.02","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707032","12.1232","0.0012","12.1232","0.0012","41.793","0.004","90","","90","","120","","5319.5","0.9","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C36 H36 Li N9 Sn -","- C36 H36 Li N9 Sn -","- C216 H216 Li6 N54 Sn6 -","6","0.333333","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0609","0.0398","","","0.0964","0.1036","","","","","","1.116","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7708238","10.78074","0.00006","10.78074","0.00006","37.8196","0.0002","90","","90","","120","","3806.67","0.04","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Co0.5V7O28","- Ca10 Co0.5 O28 V7 -","- Ca9.92 Co0.58 O28 V7 -","- Ca59.52 Co3.48 O168 V42 -","6","0.333333","","rahimi mosafer, houri sadat; Paszkowicz, Wojciech; Minikayev, Roman; Kozłowski, Mirosław; Diduszko, Ryszard; Berkowski, Marek","Crystal structure and thermal expansion of novel substitutionally disordered Ca10TM0.5(VO4)7 (TM = Co, Cu) orthovanadates","Dalton Transactions","2021","","","","","10.1039/D1DT02446A","powder diffraction","","1.5406","","","","","","","","","","6.0612","1.48","","","","","","","has coordinates","269039","2021-09-07","22:59:11",""
"7708239","10.7871","0.00007","10.7871","0.00007","37.8997","0.0003","90","","90","","120","","3819.23","0.05","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Cu0.5V7O28","- Ca10 Cu0.5 O28 V7 -","- Ca10.07 Cu0.43 O28 V7 -","- Ca60.42 Cu2.58 O168 V42 -","6","0.333333","","rahimi mosafer, houri sadat; Paszkowicz, Wojciech; Minikayev, Roman; Kozłowski, Mirosław; Diduszko, Ryszard; Berkowski, Marek","Crystal structure and thermal expansion of novel substitutionally disordered Ca10TM0.5(VO4)7 (TM = Co, Cu) orthovanadates","Dalton Transactions","2021","","","","","10.1039/D1DT02446A","powder diffraction","","1.5406","","","","","","","","","","6.2384","1.66","","","","","","","has coordinates","269039","2021-09-07","22:59:11",""
"7708977","10.37486","0.000015","10.37486","0.000015","37.15296","0.000075","90","","90","","120","","3463.29","0.01","300","","300","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ca48.6 Eu5.999 Ge1.198 O168 P40.799 Zn6 -","- Ca48.6006 Eu5.9994 Ge1.2006 O168 P40.7994 Zn6 -","- Ca48.6006 Eu5.9994 Ge1.2006 O168 P40.7994 Zn6 -","1","0.0555556","","Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey","The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement","Dalton Transactions","2021","","","","","10.1039/D1DT03534G","powder diffraction","x-ray","1.5406","CuKα","","","0.0501","","","0.0664","","","","2.02","","","","","","","has coordinates","270951","2021-12-01","00:01:57",""
"7708978","10.42877","0.000027","10.42877","0.000027","37.34327","0.00014","90","","90","","120","","3517.3","0.018","300","","300","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ca49.799 Eu6.001 Ge3.6 O168 P38.4 Zn6 -","- Ca49.7994 Eu6.0012 Ge3.6 O168 P38.4 Zn6 -","- Ca49.7994 Eu6.0012 Ge3.6 O168 P38.4 Zn6 -","1","0.0555556","","Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey","The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement","Dalton Transactions","2021","","","","","10.1039/D1DT03534G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","","2.73","","","","","","","has coordinates","270951","2021-12-01","00:01:58",""
"7708979","10.38838","0.00001","10.38838","0.00001","37.22381","0.000056","90","","90","","120","","3478.94","0.007","300","","300","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ca49.2 Eu5.997 Ge2.399 O168 P39.598 Zn6 -","- Ca49.2006 Eu5.99994 Ge2.3994 O168 P39.6006 Zn6 -","- Ca49.2006 Eu5.99994 Ge2.3994 O168 P39.6006 Zn6 -","1","0.0555556","","Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey","The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement","Dalton Transactions","2021","","","","","10.1039/D1DT03534G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","","2.54","","","","","","","has coordinates","270951","2021-12-01","00:01:58",""
"7709651","34.9213","0.0018","34.9213","0.0018","11.6219","0.0008","90","","90","","120","","12274.1","1.2","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C18 H42 B2 Cl O4 P2 Rh -","- C18 H42 B2 Cl O4 P2 Rh -","- C324 H756 B36 Cl18 O72 P36 Rh18 -","18","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","1.54184","CuKα","","0.0717","0.0654","","","0.1678","0.1767","","","","","","1.053","","","","has coordinates","273445","2022-03-04","23:57:20",""
"7709808","10.632","0.0002","10.632","0.0002","37.386","0.0013","90","","90","","120","","3659.9","0.16","100","2","100.15","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Ca3.01 O8 V2 -","- Ca3.00629 O8 V2 -","- Ca63.132 O168 V42 -","21","1.16667","","Kuzmicheva, Galina; Ivleva, Liudmila; Kaurova, Irina; Khramov, Evgeny; Lazarenko, Vladimir; Rybakov, Victor Borisovich; Svetogorov, Roman; Doroshenko, M. E.","Revealing the peculiar local behavior of manganese and cobalt in diffusion-doped сalcium orthovanadate Ca3(VO4)2","Dalton Transactions","2022","","","","","10.1039/D1DT03799D","","","0.7532","synchrotron","","0.0409","0.0403","","","0.105","0.1073","","","","","","1.05","","","","has coordinates,has disorder","273940","2022-03-23","23:53:22",""
"7709931","7.0212","0.0002","7.0212","0.0002","41.555","0.002","90","","90","","120","","1774.09","0.11","293","1","293","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C4 Fe N6 Sr6 -","- C4 Fe0.999 N6 Sr6 -","- C24 Fe5.994 N36 Sr36 -","6","0.333333","","Jach, Franziska; Block, Theresa; Prots, Yurii; Schmidt, Marcus; Bobnar, Matej; Pöttgen, Rainer; Ruck, Michael; Hoehn, Peter","Non-Innocent Cyanido Ligands: Tetracyanidoferrate(–II) as Carbonyl Copycat","Dalton Transactions","2022","","","","","10.1039/D2DT00833E","","x-ray","0.71073","MoKα","","0.0536","0.0427","","","0.0659","0.0669","","","","2.67","2.67","2.46","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7710353","21.876","0.0003","21.876","0.0003","13.2528","0.0003","90","","90","","120","","5492.55","0.16","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- I13 O39 Sm3 -","- I13 O39 Sm3 -","- I78 O234 Sm18 -","6","0.333333","","Guo, Ruixin; Tang, Changcheng; Xia, Mingjun; Liu, Lijuan; Wang, Xiaoyang","Structure, optical and luminescence properties of anhydrous samarium iodate Sm3(IO3)9(HIO3)4","Dalton Transactions","2022","","","","","10.1039/D2DT00799A","","","0.71073","MoKα","","0.0386","0.0386","","","0.0988","0.0988","","","","","","1.066","","","","has coordinates","275661","2022-05-26","22:48:35",""
"7711515","15.249","0.004","15.249","0.004","44.207","0.011","90","","90","","120","","8902","4","93","2","93","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C60 H78 Li10 O5 Si3 -","- C60 H78 Li10 O5 Si3 -","- C360 H468 Li60 O30 Si18 -","6","0.333333","","Ito, Shotaro; Ishii, Youichi; Kuwabara, Takuya","Inorganic salt-assisted assembly of anionic π-conjugated rings enabling 7Li NMR-based evaluation of antiaromaticity","Dalton Transactions","2022","","","","","10.1039/D2DT02649J","","","0.71075","MoKα","","0.0641","0.0513","","","0.1179","0.134","","","","","","1.066","","","","has coordinates","278632","2022-10-18","22:55:29",""
"7712683","30.1327","0.0013","30.1327","0.0013","14.7905","0.0007","90","","90","","120","","11630.3","0.9","153","","153","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C24 H26 Cl2 N4 O4 Zn -","- C24 H26 Cl2 N4 O4 Zn -","- C432 H468 Cl36 N72 O72 Zn18 -","18","1","","Mikata, Yuji; Tanaka, Marin; Yasuda, Saori; Tsuruta, Aya; Hagiwara, Taeka; Konno, Hideo; Matsuo, Takashi","Effect of methoxy substituents on fluorescent Zn2+/Cd2+ selectivity of bisquinoline derivatives with a N,N’-dimethylalkanediamine skeleton","Dalton Transactions","2023","","","","","10.1039/D3DT00597F","","","0.71075","MoKα","","0.0263","0.0248","","","0.0544","0.0559","","","","","","1.098","","","","has coordinates","282097","2023-03-28","22:59:13",""
"7713458","32.426","0.002","32.426","0.002","20.568","0.003","90","","90","","120","","18729","3","296.15","","296.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Ir(phpyr-F)2tmd","","- C50 H42.5 F2 Ir N2.5 O2 -","- C49 H41 F2 Ir N2 O2 -","- C882 H738 F36 Ir18 N36 O36 -","18","1","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.054","0.0445","","","0.1173","0.1237","","","","","","1.093","","","","has coordinates,has disorder","285190","2023-07-12","23:08:20",""
"7714186","8.7479","0.0004","8.7479","0.0004","54.779","0.003","90","","90","","120","","3630.4","0.3","123","1","123","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H9 Fe4 O13 P -","- C18 H9 Fe4 O13 P -","- C108 H54 Fe24 O78 P6 -","6","0.333333","","Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred","Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals","Dalton Transactions","2023","","","","","10.1039/D3DT02472E","","","1.54184","CuKα","","0.0421","0.0413","","","0.1078","0.1086","","","","","","1.032","","","","has coordinates","286938","2023-10-12","23:02:13",""
"7716546","17.2169","0.0003","17.2169","0.0003","15.7297","0.0004","90","","90","","120","","4037.95","0.14","120","0.1","120","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H18 Cr N15 O9 -","- C18 H18 Cr N15 O9 -","- C108 H108 Cr6 N90 O54 -","6","0.333333","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1473","0.15","","","","","","1.126","","","","has coordinates","295281","2024-10-06","08:13:56",""
"7716561","29.6327","0.0003","29.6327","0.0003","18.1052","0.0002","90","","90","","120","","13768.2","0.2","100","0.2","100","0.2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C29 H46 N2 Ni O S2 -","- C29 H46 N2 Ni O S2 -","- C522 H828 N36 Ni18 O18 S36 -","18","1","","Bag, Jayanta; Das, Surajit; Pal, Kuntal","Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12773","12782","10.1039/d4dt01364f","","x-ray","1.54184","CuKα","","0.0421","0.041","","","0.1093","0.1106","","","","","","1.037","","","","has coordinates,has disorder","293858","2024-08-05","19:05:16",""
"7716869","14.2596","0.0002","14.2596","0.0002","26.9863","0.0005","90","","90","","120","","4752.13","0.13","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C24 H48 F3 In N6 O3 -","- C24 H48 F3 In N6 O3 -","- C144 H288 F18 In6 N36 O18 -","6","0.333333","","O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian","Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14897","14909","10.1039/d4dt02074j","","x-ray","0.71073","MoKα","","0.0367","0.035","","","0.0945","0.0962","","","","","","1.0319","","","","has coordinates,has disorder","295263","2024-10-06","08:07:41",""
"7716895","17.8552","0.0003","17.8552","0.0003","39.8409","0.001","90","","90","","120","","10999.9","0.4","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C72 H60 Cu9 O6 P3 Se6 -","- C72 H60 Cu9 O6 P3 Se6 -","- C432 H360 Cu54 O36 P18 Se36 -","6","0.333333","","Du, Peiling; Sachurilatu, ?; Jiang, Wenya; Wei, Jianyu; Li, Simin; Shen, Hui","Ligand effects in photoluminescence of copper nanoclusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15190","15197","10.1039/d4dt02060j","","x-ray","1.54184","CuKα","","0.0441","0.0348","","","0.0778","0.0828","","","","","","1.042","","","","has coordinates","295259","2024-10-06","08:04:34",""
"7717265","13.0173","0.0014","13.0173","0.0014","27.493","0.005","90","","90","","120","","4034.5","1","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C29 H42 N6 -","- C29 H41.9997 N6 -","- C174 H251.998 N36 -","6","0.333333","","Kracht, Felix; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of Mg(AlMe<sub>4</sub>)<sub>2</sub> towards neutral tris(pyrazolyl)alkanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","48","19280","19291","10.1039/d4dt02722a","","","0.71073","MoKα","","0.0989","0.0832","","","0.2389","0.2587","","","","","","1.077","","","","has coordinates,has disorder","297118","2025-01-06","12:30:08",""
"7718068","13.0916","0.0001","13.0916","0.0001","46.0882","0.0005","90","","90","","120","","6840.78","0.1","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Tm -","- C36 H21 Br12 N4 O6 Tm -","- C216 H126 Br72 N24 O36 Tm6 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.04","0.0384","","","0.1041","0.1056","","","","","","1.151","","","","has coordinates","297785","2025-02-20","00:05:26",""
"7718069","13.1128","0.0001","13.1128","0.0001","46.3988","0.0007","90","","90","","120","","6909.21","0.13","100","0.11","100","0.11","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Tb -","- C36 H21 Br12 N4 O6 Tb -","- C216 H126 Br72 N24 O36 Tb6 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.1034","0.1037","","","","","","1.165","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718070","13.1174","0.0001","13.1174","0.0001","46.3156","0.0006","90","","90","","120","","6901.66","0.12","99.9","0.4","99.9","0.4","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Dy N4 O6 -","- C36 H21 Br12 Dy N4 O6 -","- C216 H126 Br72 Dy6 N24 O36 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0719","0.0721","","","","","","1.183","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718071","13.1028","0.0001","13.1028","0.0001","45.996","0.0008","90","","90","","120","","6838.78","0.14","99.99","0.1","99.99","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Yb -","- C36 H21 Br12 N4 O6 Yb -","- C216 H126 Br72 N24 O36 Yb6 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0265","0.0264","","","0.0764","0.0765","","","","","","1.193","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718072","13.1211","0.0001","13.1211","0.0001","46.2179","0.0006","90","","90","","120","","6890.99","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Ho N4 O6 -","- C36 H21 Br12 Ho N4 O6 -","- C216 H126 Br72 Ho6 N24 O36 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0308","0.0306","","","0.0902","0.0903","","","","","","1.164","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718073","13.1472","0.0001","13.1472","0.0001","46.5427","0.0007","90","","90","","120","","6967.05","0.13","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Eu N4 O6 -","- C36 H21 Br12 Eu N4 O6 -","- C216 H126 Br72 Eu6 N24 O36 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0242","0.0239","","","0.0658","0.066","","","","","","1.115","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718074","13.1753","0.0001","13.1753","0.0001","46.6188","0.0004","90","","90","","120","","7008.3","0.1","99.9","0.5","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Sm -","- C36 H21 Br12 N4 O6 Sm -","- C216 H126 Br72 N24 O36 Sm6 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0293","0.0289","","","0.0801","0.0803","","","","","","1.124","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718075","13.1015","0.0002","13.1015","0.0002","46.1778","0.0005","90","","90","","120","","6864.45","0.17","99.9","0.4","99.9","0.4","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Er N4 O6 -","- C36 H21 Br12 Er N4 O6 -","- C216 H126 Br72 Er6 N24 O36 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0474","0.0435","","","0.1138","0.1169","","","","","","1.125","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718076","13.1452","0.0001","13.1452","0.0001","46.4914","0.0007","90","","90","","120","","6957.25","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Gd N4 O6 -","- C36 H21 Br12 Gd N4 O6 -","- C216 H126 Br72 Gd6 N24 O36 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0339","0.0336","","","0.0995","0.0998","","","","","","1.166","","","","has coordinates","297785","2025-02-20","00:05:27",""
"7718077","13.134","0.0002","13.134","0.0002","46.2582","0.0007","90","","90","","120","","6910.56","0.18","99.99","0.1","99.99","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 N4 O6 Y -","- C36 H21 Br12 N4 O6 Y -","- C216 H126 Br72 N24 O36 Y6 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0376","0.0361","","","0.0941","0.0951","","","","","","1.143","","","","has coordinates","297785","2025-02-20","00:05:28",""
"7718078","13.0951","0.0001","13.0951","0.0001","45.9594","0.0006","90","","90","","120","","6825.31","0.12","99.97","0.12","99.97","0.12","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C36 H21 Br12 Lu N4 O6 -","- C36 H21 Br12 Lu N4 O6 -","- C216 H126 Br72 Lu6 N24 O36 -","6","0.333333","","Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J.","Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding","Dalton Transactions","2025","","","","","10.1039/D4DT03474K","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.0924","0.0927","","","","","","1.176","","","","has coordinates","297785","2025-02-20","00:05:28",""
"7718139","19.4803","0.0002","19.4803","0.0002","51.6719","0.0006","90","","90","","120","","16981.5","0.3","93","2","93","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C92 H162 As Mo9 N7 O34 -","- C92 H162 As Mo9 N7 O34 -","- C552 H971.998 As6 Mo54 N42 O204 -","6","0.333333","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo12O40]3− (X = P, As, V) in organic media","Dalton Transactions","2025","","","","","10.1039/D5DT00252D","","","0.71073","MoKα","","0.0448","0.0426","","","0.1119","0.1134","","","","","","1.088","","","","has coordinates","297891","2025-02-27","00:02:26",""
"7718141","37.1811","0.0002","37.1811","0.0002","52.7775","0.0004","90","","90","","120","","63186.4","0.7","93","2","93","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C84 H150 Mo18 N9 O68 V2 -","- C84 H150 Mo18 N9 O68 V2 -","- C1008 H1800 Mo216 N108 O816 V24 -","12","0.666667","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo12O40]3− (X = P, As, V) in organic media","Dalton Transactions","2025","","","","","10.1039/D5DT00252D","","","0.71073","MoKα","","0.0379","0.0324","","","0.0728","0.0746","","","","","","1.034","","","","has coordinates","297891","2025-02-27","00:02:27",""
"8000246","15.2807","0.0007","15.2807","0.0007","23.3345","0.0011","90","","90","","120","","4718.6","0.4","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","0.71073","MoKα","","0.0714","0.0693","","","0.1943","0.1976","","","","","","1.251","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000247","15.6943","0.0002","15.6943","0.0002","23.5279","0.0004","90","","90","","120","","5018.77","0.12","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0807","0.0798","","","0.1871","0.1897","","","","","","1.079","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8100154","9.5935","0.0014","9.5935","0.0014","24.186","0.005","90","","90","","120","","1927.7","0.6","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Sodium tetratin(II) triphosphate","","","- Na O12 P3 Sn4 -","- Na O12 P3 Sn4 -","- Na6 O72 P18 Sn24 -","6","0.333333","","Mao, Shao-Yu; Deng, Jin-Feng; Li, Man-Rong; Mi, Jin-Xiao; Chen, Hao-Hong; Zhao, Jing-Tai","Crystal structure of sodium tetratin(II) triphosphate, NaSn~4~(PO~4~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","205","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100198","30.391","0.004","30.391","0.004","20.748","0.005","90","","90","","120","","16596","5","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H28 Cl3 Co N6 O14 -","- C30 H24 Cl3 Co N6 O14 -","- C540 H432 Cl54 Co18 N108 O252 -","18","1","","Du, Miao; Zhao, Xiao-Jun; Cai, Hua","Crystal structure of tris(2,2'-bipyridine)cobalt(III) triperchlorate dihydrate, [Co(C~10~H~8~N~2~)~3~](ClO~4~)~3~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","463","465","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102981","8.3091","0.0012","8.3091","0.0012","12.1993","0.0015","90","","90","","120","","729.41","0.17","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","cadmium dizinc diborate","","- B6 Cd3 O18 Zn6 -","- B6 Cd2.97 O18 Zn6.03 -","- B12 Cd5.94 O36 Zn12.06 -","2","0.111111","","Fan Zhang; De-Zhong Shen; Guang-Qiu Shen; Xiao-Qing Wang","Crystal structure of cadmium dizinc diborate, CdZn2(BO3)2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","3","","","","","0.71073","MoKα","","0.0741","0.0718","","","0.1898","0.1925","","","","","","1.114","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103400","5.5281","","5.5281","","13.7159","","90","","90","","120","","363","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ag Ta O3","","- Ag O3 Ta -","- Ag O3 Ta -","- Ag6 O18 Ta6 -","6","0.333333","","Wolcyrz, M.; Lukaszewski, M.","The crystal structure of the room-temperature-phase of Ag Ta O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1986","177","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103405","11.299","","11.299","","8.759","","90","","90","","120","","968.423","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ag3 (As Se3)","","- Ag3 As Se3 -","- Ag3 As Se3 -","- Ag18 As6 Se18 -","6","0.333333","","Matsumoto, T.; Kihara, K.","Refinement of Ag3 As Se3 based on high-order thermal-motion tensors","Zeitschrift fuer Kristallographie (149,1979-)","1986","177","","211","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103617","10.809","","10.809","","38.028","","90","","90","","120","","3847.74","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Ca3 (V O4)2","","- Ca3 O8 V2 -","- Ca3 O8 V2 -","- Ca63 O168 V42 -","21","1.16667","","Gopal, R.; Calvo, C.","The structure of Ca3 (V O4)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1973","137","","67","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","147256","2020-10-21","18:00:00",""
"8103642","8.8109","","8.8109","","21.4572","","90","","90","","120","","1442.59","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Cd3 (B7 O13) (O H)","","- B7 Cd3 H O14 -","- B7 Cd3 O14 -","- B42 Cd18 O84 -","6","0.333333","","Werthmann, U.; Glinnemann, J.; Gies, H.; Hahn, T.","Cd3 B7 O13 (O H) - a new synthetic hydroxy boracite","Zeitschrift fuer Kristallographie (149,1979-)","2000","215","","393","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103744","5.1381","","5.1381","","13.8481","","90","","90","","120","","316.611","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Etschmann, B.E.; Oishi, S.; Streltsov, V.; Ishizawa, N.","A synchrotron X-ray diffraction analysis of near-stoichiometric Li Nb O3","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","455","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000434","10.33","","10.33","","37.103","","90","","90","","120","","3428.78","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.095 Fe0.413 Mg0.587 O28 P7 -","- Ca9.095 Fe0.413 Mg0.587 O28 P7 -","- Ca54.57 Fe2.478 Mg3.522 O168 P42 -","6","0.333333","","Calvo, C.; Gopal, R.","The crystal structure of whitlockite from the Palermo quarry","American Mineralogist","1975","60","","120","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000902","10.779","","10.779","","38.061","","90","","90","","120","","3829.73","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","Cerite-(Ce)","- Ca0.169 Ce8.127 H3.899 Mg O30.899 Si6.862 -","- Ca0.169 Ce8.127 H3.899 Mg O30.899 Si6.862 -","- Ca1.014 Ce48.762 H23.394 Mg6 O185.394 Si41.172 -","6","0.333333","","Moore, P. B.; Shen, J.","Cerite, RE9(Fe3+,Mg)(SiO4)6(SiO3OH)(OH)3: Its crystal structure and relation to whitlockite Note: Thermal parameters have been changed to match symmetry constraints, It is likely that the structure was refined wrong to begin with.","American Mineralogist","1983","68","","996","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","293667","2024-08-05","12:42:28",""
"9004489","8.588","","8.588","","21.05","","90","","90","","120","","1344.52","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Trembathite","- B7 Cl Fe1.44 Mg1.56 O13 -","- B7 Cl Fe1.44 Mg1.56 O13 -","- B42 Cl6 Fe8.64 Mg9.36 O78 -","6","0.333333","","Schindler, M.; Hawthorne, F. C.","The crystal structure of trembathite, (Mg1.55Fe1.43Mn0.02)B7O13Cl, a mineral of the boracite group: An example of the insertion of a cluster into a three-dimensional net","The Canadian Mineralogist","1998","36","","1195","1201","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004693","10.7493","","10.7493","","38.318","","90","","90","","120","","3834.37","","","","","","","","","","","","Khibina alkaline massif, Kola Peninsula, Russia","11","R 3 c :H","R 3 -2""c","161","","","Cerite-(La)","- Ca1.75 Ce2.61 Fe0.32 H4 La4.23 Mg0.23 Nd0.18 O31 Pr0.09 Si6.9 Sr0.36 -","- Ca1.75 Ce2.61 Fe0.32 La4.23 Mg0.23 Nd0.18 O31 Pr0.09 Si6.9 Sr0.36 -","- Ca10.5 Ce15.66 Fe1.92 La25.38 Mg1.38 Nd1.08 O186 Pr0.54 Si41.4 Sr2.16 -","6","0.333333","","Pakhomovsky, Y. A.; Men'shikov, Y. P.; Yakovenchuk, V. N.; Ivanyuk, G. Y.; Krivovichev, S. V.; Burns, P. C.","Cerite-(La), (La,Ce,Ca)9(Fe,Ca,Mg)(SiO4)3[SiO3(OH)]4(OH)3, a new mineral from the Khibiny Alkaline Massif: Occurrence and crystal structure","The Canadian Mineralogist","2002","40","","1177","1184","10.2113/gscanmin.40.4.1177","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9005866","5.205","","5.205","","13.7","","90","","90","","120","","321.435","","","","","","","","","","synthesized at 60 kbar and 1300 C","synthesized at 60 kbar","","3","R 3 c :H","R 3 -2""c","161","","","Pyrophanite","- Mn O3 Ti -","- Mn O3 Ti -","- Mn6 O18 Ti6 -","6","0.333333","","Ko, J.; Prewitt, C. T.","High-pressure phase transition in MnTiO3 from the ilmenite to the LiNbO3 structure Sample synthesized at 60 kbar and 1300 C","Physics and Chemistry of Minerals","1988","15","","355","362","10.1007/BF00311040","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006335","5.12334","","5.12334","","13.7602","","90","","90","","120","","312.796","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B.","High-pressure perovskites on the join CaTiO3-FeTiO3","Physics and Chemistry of Minerals","1995","22","","251","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007523","11.526","","11.526","","13.589","","90","","90","","120","","1563.42","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Acetamide","- C2 H5 N O -","- C2 H5 N O -","- C36 H90 N18 O18 -","18","1","","Denne, W. A.; Small, R. W. H.","A refinement of the structure of rhombohedral acetamide","Acta Crystallographica, Section B","1971","27","","1094","1098","10.1107/S0567740871003583","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008223","8.612","","8.612","","21.065","","90","","90","","120","","1353.01","","","","","","","","","","","","Bischofferode, Thuringen, Germany","5","R 3 c :H","R 3 -2""c","161","","","Congolite","- B7 Cl Fe2.4 Mg0.6 O13 -","- B7 Cl Fe2.4 Mg0.6 O13 -","- B42 Cl6 Fe14.4 Mg3.6 O78 -","6","0.333333","","Dowty, E.; Clark, J. R.","Crystal-structure refinements for orthorhombic boracite, Mg3B7O13Cl, and a trigonal, iron-rich analogue","Zeitschrift fur Kristallographie","1973","138","","64","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009266","11.04","","11.04","","8.72","","90","","90","","120","","920.418","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Engel, P.; Nowacki, W.","Die verfeinerung der kristallstruktur von proustit, Ag3AsS3 und pyrargyrit, Ag3SbS3","Neues Jahrbuch fur Mineralogie, Monatshefte","1966","1966","","181","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009610","15.127","","15.127","","22.471","","90","","90","","120","","4453.06","","","","","","","","","","","","""Grube Anton"" Heubachtal, Schiltach, Black Forest, Germany","5","R 3 c :H","R 3 -2""c","161","","","Machatschkiite","- As4 Ca6 H33 O35 P -","- As4 Ca6 H33 O35 P -","- As24 Ca36 H198 O210 P6 -","6","0.333333","","Effenberger, H.; Mereiter, K.; Pimminger, M.; Zemann, J.","Machatschkiite: Crystal structure and revision of the chemical formula","Tschermaks Mineralogische und Petrographische Mitteilungen","1982","30","","145","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009991","10.767","","10.767","","8.713","","90","","90","","120","","874.758","","","","35","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Allen, S.","Phase transitions in proustite I. Structural studies Sample: T = 35 K","Phase Transition","1985","6","","1","24","10.1080/01411598508219887","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009992","10.768","","10.768","","8.72","","90","","90","","120","","875.623","","","","63","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Allen, S.","Phase transitions in proustite I. Structural studies Sample: T = 63 K","Phase Transition","1985","6","","1","24","10.1080/01411598508219887","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009993","10.825","","10.825","","8.704","","90","","90","","120","","883.294","","","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag18 As6 S18 -","6","0.333333","","Allen, S.","Phase transitions in proustite I. Structural studies Sample: T = 300 K Note: calculated Ag-S bondlengths do not match those reported","Phase Transition","1985","6","","1","24","10.1080/01411598508219887","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010117","10.2909","","10.2909","","36.8746","","90","","90","","120","","3381.93","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","Merrillite","- Ca9 Fe0.2 Mg0.8 Na0.23 O28 P6.24 -","- Ca9 Fe0.2 Mg0.8 Na0.23 O28 P6.24 -","- Ca54 Fe1.2 Mg4.8 Na1.38 O168 P37.44 -","6","0.333333","","Hughes, J. M.; Jolliff, B. L.; Gunter, M. E.","The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14 lunar mission: The first structure of merrillite from the Moon","American Mineralogist","2006","91","","1547","1552","10.2138/am.2006.2021","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010489","10.3612","","10.3612","","37.096","","90","","90","","120","","3448.88","","","","","","","","","","","","Palermo Mine, North Groton, Grafton County, New Hampshire","6","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.181 Fe0.429 H0.693 Mg0.571 O28 P7 -","- Ca9.181 Fe0.429 Mg0.571 O28 P7 -","- Ca55.086 Fe2.574 Mg3.426 O168 P42 -","6","0.333333","","Hughes, J. M.; Jolliff, B. L.; Rakovan, J.","The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Locality: Palermo Mine, North Groton, Grafton County, New Hampshire","American Mineralogist","2008","93","","1300","1305","10.2138/am.2008.2683","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010490","10.3477","","10.3477","","37.077","","90","","90","","120","","3438.14","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.061 Fe0.014 H0.89 Mg0.986 O28 P7 -","- Ca9.061 Fe0.014 Mg0.986 O28 P7 -","- Ca54.366 Fe0.084 Mg5.916 O168 P42 -","6","0.333333","","Hughes, J. M.; Jolliff, B. L.; Rakovan, J.","The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Locality: Tip Top Pegmatite, Custer County, South Dakota","American Mineralogist","2008","93","","1300","1305","10.2138/am.2008.2683","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010491","10.3571","","10.3571","","37.138","","90","","90","","120","","3450.05","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.06 Fe0.079 H0.87 Mg0.921 O28 P7 -","- Ca9.06 Fe0.079 Mg0.921 O28 P7 -","- Ca54.36 Fe0.474 Mg5.526 O168 P42 -","6","0.333333","","Hughes, J. M.; Jolliff, B. L.; Rakovan, J.","The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Locality: synthetic Note: Standard temperature and pressure","American Mineralogist","2008","93","","1300","1305","10.2138/am.2008.2683","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010492","10.3597","","10.3597","","37.161","","90","","90","","120","","3453.92","","","","","","","","","","Heated at 500 degrees C","","Synthetic","6","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.036 Fe0.084 H0.831 Mg0.916 O27.28 P7 -","- Ca9.036 Fe0.084 Mg0.916 O27.28 P7 -","- Ca54.216 Fe0.504 Mg5.496 O163.68 P42 -","6","0.333333","","Hughes, J. M.; Jolliff, B. L.; Rakovan, J.","The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Note: Heated at 500 degrees C","American Mineralogist","2008","93","","1300","1305","10.2138/am.2008.2683","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010493","10.3499","","10.3499","","37.115","","90","","90","","120","","3443.12","","","","","","","","","","heating at 1050 degrees C for 24 hours","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Merrillite","- Ca9.443 Fe0.065 Mg0.935 O28 P6.964 -","- Ca9.443 Fe0.065 Mg0.935 O28 P6.964 -","- Ca56.658 Fe0.39 Mg5.61 O168 P41.784 -","6","0.333333","","Hughes, J. M.; Jolliff, B. L.; Rakovan, J.","The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Note: Formed through dehydrogenation of synthetic whitlockite by heating at 1050 degrees C for 24 hours","American Mineralogist","2008","93","","1300","1305","10.2138/am.2008.2683","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011161","10.438","","10.438","","37.15","","90","","90","","120","","3505.29","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9 H Mn O28 P7 -","- Ca9 H Mn O28 P7 -","- Ca54 H6 Mn6 O168 P42 -","6","0.333333","","Kostiner, E.; Rea, J. R.","The crystal structure of manganese-whitlockite, Ca18Mn2H2(PO4)14","Acta Crystallographica, Section B","1976","32","","250","253","10.1107/S0567740876002690","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011391","10.3273","","10.3273","","37.098","","90","","90","","120","","3426.53","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca8.424 Na1.16 O28 P7 V -","- Ca8.424 Na1.16 O28 P7 V -","- Ca50.544 Na6.96 O168 P42 V6 -","6","0.333333","","Tsirlin, A. A.; Dikarev, E. V.; Shpanchenko, R. V.; Antipov, E. V.","A new whitlockite, Ca8.42Na1.16V(PO4)7","Acta Crystallographica, Section C","2006","62","","i13","i15","10.1107/S0108270105039041","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011585","10.324","","10.324","","37.103","","90","","90","","120","","3424.8","","","","","","","","","","","","Palermo Quarry","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.267 Fe0.2 Mg0.8 O28 P7 -","- Ca9.267 Fe0.2 Mg0.8 O28 P7 -","- Ca55.602 Fe1.2 Mg4.8 O168 P42 -","6","0.333333","","Gopal, R.; Calvo, C.","Structural relationship of whitlockite and beta-Ca3(PO4)2 Sample: Heated","Nature Physical Science","1972","237","","30","32","10.1038/physci237030a0","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011586","10.33","","10.33","","37.103","","90","","90","","120","","3428.78","","","","293","","","","","","Unheated, T = 293 K","","Palermo Quarry","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.083 Fe0.2 Mg0.8 O28 P7 -","- Ca9.083 Fe0.2 Mg0.8 O28 P7 -","- Ca54.498 Fe1.2 Mg4.8 O168 P42 -","6","0.333333","","Gopal, R.; Calvo, C.","Structural relationship of whitlockite and beta-Ca3(PO4)2 Sample: Unheated, T = 293 K, hexagonal cell Note: CaIIB1(z) changed","Nature Physical Science","1972","237","","30","32","10.1038/physci237030a0","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012136","10.401","","10.401","","37.316","","90","","90","","120","","3496.04","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca10.115 Mg0.385 O28 P7 -","- Ca10.115 Mg0.385 O28 P7 -","- Ca60.69 Mg2.31 O168 P42 -","6","0.333333","","Schroeder, L. W.; Dickens, B.; Brown, W. E.","Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.11 Mg Note: changed sign of O3(y) to match bond distances","Journal of Solid State Chemistry","1977","22","","253","262","10.1016/0022-4596(77)90002-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012137","10.337","","10.337","","37.068","","90","","90","","120","","3430.2","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.5 Mg O28 P7 -","- Ca9.5 Mg O28 P7 -","- Ca57 Mg6 O168 P42 -","6","0.333333","","Schroeder, L. W.; Dickens, B.; Brown, W. E.","Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.29 Mg","Journal of Solid State Chemistry","1977","22","","253","262","10.1016/0022-4596(77)90002-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012415","10.35","","10.35","","37.085","","90","","90","","120","","3440.41","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9 H Mg O28 P7 -","- Ca9 Mg O28 P7 -","- Ca54 Mg6 O168 P42 -","6","0.333333","","Gopal, R.; Calvo, C.; Ito, J.; Sabine, W. K.","Crystal structure of synthetic Mg-whitlockite, Ca18Mg2H2(PO4)14","Canadian Journal of Chemistry","1974","52","","1155","1164","10.1139/v74-181","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013606","10.645","","10.645","","38.019","","90","","90","","120","","3730.98","","","","","","","","","","","","Ratti quarry, Baveno, Italy","14","R 3 c :H","R 3 -2""c","161","","","Aluminocerite-(Ce)","- Al0.61 Ca2.31 Ce3.21 Dy0.03 Fe0.39 Gd0.06 H7 La1.35 Nd1.14 O31 Pr0.42 Si7 Sm0.15 Yb0.009 -","- Al0.61 Ca2.31 Ce3.21 Dy0.03 Fe0.39 Gd0.06 H7 La1.35 Nd1.14 O31 Pr0.42 Si7 Sm0.15 Yb0.009 -","- Al3.66 Ca13.86 Ce19.26 Dy0.18 Fe2.34 Gd0.36 H42 La8.1 Nd6.84 O186 Pr2.52 Si42 Sm0.9 Yb0.054 -","6","0.333333","","Nestola, F.; Guastoni, A.; Camara, F.; Secco, L.; Dal Negro, A.; Pedron, D.; Beran, A.","Aluminocerite-Ce: A new species from Baveno, Italy: Descriptions and crystal-structure determination","American Mineralogist","2009","94","","487","493","10.2138/am.2009.3060","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013783","7.742","","7.742","","32.082","","90","","90","","120","","1665.32","","","","","","","","","","","","Mt. Lepkhe-Nelm, Lovozero alkaline massif, Kola Peninsula, Russia","5","R 3 c :H","R 3 -2""c","161","","","Krivovichevite","- Al H7 O11 Pb3 S -","- Al H7 O11 Pb3 S -","- Al6 H42 O66 Pb18 S6 -","6","0.333333","","Krivovichev, S. V.; Armbruster, T.; Yakovenchuk, V. N.","The crystal structure of krivovichevite, Pb3[Al(OH)6](SO4)(OH)","The Canadian Mineralogist","2009","47","","153","158","10.3749/canmin.47.1.153","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9013986","10.4372","","10.4372","","37.4876","","90","","90","","120","","3536.6","","","","","","","","","","","","synthesized","4","R 3 c :H","R 3 -2""c","161","","","Calcium Thorium Phosphate","- Ca10.381 O28 P7 Th0.119 -","- Ca10.381 O28 P7 Th0.119 -","- Ca62.286 O168 P42 Th0.714 -","6","0.333333","","Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S.","Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement","Crystallography Reports","2009","54","","591","597","10.1134/S1063774509040087","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014397","15.2171","","15.2171","","8.9323","","90","","90","","120","","1791.26","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","7","R 3 c :H","R 3 -2""c","161","","","Pyracmonite","- Al0.107 Fe0.893 H10.404 K0.399 N2.601 O12 S3 -","- Al0.107 Fe0.893 H10.404 K0.399 N2.601 O12 S3 -","- Al0.642 Fe5.358 H62.424 K2.394 N15.606 O72 S18 -","6","0.333333","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.","Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2010","48","","307","313","10.3749/canmin.48.2.307","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014798","10.3394","","10.3394","","37.0836","","90","","90","","120","","3433.23","","","","","","","","","","","","Tip Top mine, South Dakota, USA","7","R 3 c :H","R 3 -2""c","161","","","Bobdownsite","- Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97 -","- Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97 -","- Al0.24 Ca54 F5.04 H0.96 Mg5.76 O162.96 P41.82 -","6","0.333333","","Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.","Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654","The Canadian Mineralogist","2011","49","","1065","1078","10.3749/canmin.49.4.1065","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014907","11.513","","11.513","","12.883","","90","","90","","120","","1478.85","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Acetamide","- C2 H5 N O -","- C2 H5 N O -","- C36 H90 N18 O18 -","18","1","","Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A.","Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K","Acta Crystallographica, Section B","1980","36","","2292","2299","10.1107/S0567740880008606","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014993","22.6791","","22.6791","","7.22336","","90","","90","","120","","3217.52","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Chlorartinite","- C H5 Cl Mg2 O6 -","- C H5 Cl Mg2 O6 -","- C18 H90 Cl18 Mg36 O108 -","18","1","","Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.","Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite","Powder Diffraction","2007","22","","64","67","10.1154/1.2436546","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015009","11.0464","","11.0464","","8.7211","","90","","90","","120","","921.602","","","","","","","","","","","","H61Z vein, Haje ore deposit, Pribram distict, Czech Republic","3","R 3 c :H","R 3 -2""c","161","","","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag18 S18 Sb6 -","6","0.333333","","Laufek, F.; Sejkora, J.; Dusek, M.","The role of silver in the crystal structure of pyrargyrite: single crystal X-ray diffraction study","Journal of Geosciences","2010","55","","161","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015142","23.14422","","23.14422","","7.22333","","90","","90","","120","","3350.84","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Chlorartinite","- C H7 Cl Mg2 O7 -","- C H7 Cl Mg2 O7 -","- C18 H126 Cl18 Mg36 O126 -","18","1","","Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.","Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite","Journal of Applied Crystallography","2006","39","","739","744","10.1107/S0021889806032109","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015248","10.359","","10.359","","37.0857","","90","","90","","120","","3446.46","","","","","","","","","","","","Palermo #1 quarry, New Hampshire, USA","8","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7 -","- Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7 -","- Al0.12 Ca54 Fe2.1 H6 Mg3.72 Mn0.12 O168 P42 -","6","0.333333","","Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.","Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds","The Canadian Mineralogist","2011","49","","1065","1078","10.3749/canmin.49.4.1065","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015621","8.6231","","8.6231","","21.0503","","90","","90","","120","","1355.55","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Congolite","- B7 Cl Fe3 O13 -","- B7 Cl Fe3 O13 -","- B42 Cl6 Fe18 O78 -","6","0.333333","","Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H.","Structure refinement of trigonal iron-chlorine boracite","Acta Crystallographica, Section C","1985","41","","1551","1552","10.1107/S0108270185008514","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016659","10.3224","","10.3224","","37.07","","90","","90","","120","","3420.7","","","","","","","","","","","","Big Fish River, Yukon Territory, Canada","8","R 3 c :H","R 3 -2""c","161","","","Bobdownsite","- Al0.11 Ca8.76 F Fe0.17 Mg0.72 Na0.24 O27 P7 -","- Al0.11 Ca8.76 F Fe0.17 Mg0.72 Na0.24 O27 P7 -","- Al0.66 Ca52.56 F6 Fe1.02 Mg4.32 Na1.44 O162 P42 -","6","0.333333","","Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.","Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R050109","The Canadian Mineralogist","2011","49","","1065","1078","10.3749/canmin.49.4.1065","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016663","10.362","","10.362","","37.106","","90","","90","","120","","3450.34","","","","","","","","","","","","Angra Dos Reis meteorite","5","R 3 c :H","R 3 -2""c","161","","","Merrillite","- Ca9.45 Fe0.22 Mg0.78 O28 P7 -","- Ca9.45 Fe0.22 Mg0.78 O28 P7 -","- Ca56.7 Fe1.32 Mg4.68 O168 P42 -","6","0.333333","","Dowty, E.","Phosphate in Angra Dos Reis: Structure and composition of the Ca3(PO4)2 minerals","Earth and Planetary Science Letters","1977","35","","347","351","10.1016/0012-821X(77)90136-4","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017143","10.3444","","10.3444","","37.0182","","90","","90","","120","","3430.49","","","","","","","","","","","","Suizhou meteorite","6","R 3 c :H","R 3 -2""c","161","","","Merrillite","- Ca9 Fe0.048 Mg0.952 Na0.98 O28 P7 -","- Ca9 Fe0.048 Mg0.952 Na0.98 O28 P7 -","- Ca54 Fe0.288 Mg5.712 Na5.88 O168 P42 -","6","0.333333","","Xie, X.; Yang, H.; Gu, X.; Downs, R. T.","Chemical composition and crystal structure of merrillite from the Suizhou meteorite","American Mineralogist","2015","100","","2753","2756","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017160","10.3926","","10.3926","","37.1694","","90","","90","","120","","3476.68","","","","","","","","","","","","the Tanco Mine, Bernic Lake, Manitoba, Canada","9","R 3 c :H","R 3 -2""c","161","","","Wopmayite","- Al0.08 Ca7.53 Fe0.25 H1.45 Mg0.11 Mn0.56 Na1.67 O28 P7 -","- Al0.08 Ca7.53 Fe0.25 H1.45 Mg0.11 Mn0.56 Na1.67 O28 P7 -","- Al0.48 Ca45.18 Fe1.5 H8.7 Mg0.66 Mn3.36 Na10.02 O168 P42 -","6","0.333333","","Cooper, M. A.; Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Ramik, R. A.; Tait, K. T.","Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure","The Canadian Mineralogist","2013","51","","93","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""