# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T02:08:57+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R 3 2 :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
"1000052","9.5027","0.0006","9.5027","0.0006","7.8212","0.0006","90","","90","","120","","611.6","","","","","","","","","","","","from Tea Tree Gully, Australia","4","R 3 2 :H","R 3 2""","155","","Calcium trimagnesium carbonate","Huntite","- C4 Ca Mg3 O12 -","- C4 Ca Mg3 O12 -","- C12 Ca3 Mg9 O36 -","3","0.166667","","Dollase, W A; Reeder, R J","Crystal structure refinement of Huntite Ca Mg~3~ (C O~3~)~4~ with X-ray powder data","American Mineralogist","1986","71","","163","166","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000474","9.0268","0.0003","9.0268","0.0003","13.684","0.002","90","","90","","120","","965.6","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tetrapotassium digadolinium tricarbonate tetrafluoride","","- C3 F4 Gd2 K4 O9 -","- C3 F3.998 Gd2 K4 O9 -","- C9 F11.994 Gd6 K12 O27 -","3","0.166667","","Mercier, N; Leblanc, M; Durand, J","New frequency doubling compounds: K4 Ln2 (C O3)3 F4 (Ln = Pr, Nd, Sm, Gd, Eu); crystal structure and characterization","European Journal of Solid State Inorganic Chemistry","1997","34","","241","249","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001481","8.9185","0.0005","8.9185","0.0005","30.055","0.011","90","","90","","120","","2070.3","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Sodium phyllo-niobatophosphate *","","- Na6 Nb8 O35 P5 -","- Na6 Nb8 O35 P5 -","- Na18 Nb24 O105 P15 -","3","0.166667","","Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A niobium phosphate ""bronze"" closely related to the Ba4/3Nb~6~Si4/4O~26~ structure: Na~6~Nb~8~P~5~O~35~","Journal of Solid State Chemistry","1991","92","","51","56","10.1016/0022-4596(91)90241-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001536","8.961","0.001","8.961","0.001","30.204","0.002","90","","90","","120","","2100.4","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Trisodium tripotassium phyllo-octaniobopentaphosphate","","- K3 Na3 Nb8 O35 P5 -","- K3 Na3 Nb8 O35 P5 -","- K9 Na9 Nb24 O105 P15 -","3","0.166667","","Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A new series of phosphates with the Na~6~Nb~8~P~5~O~35~ structure","European Journal of Solid State Inorganic Chemistry","1992","29","","1253","1261","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001859","13.3799","0.0009","13.3799","0.0009","10.3713","0.001","90","","90","","120","","1607.9","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Calcium caesium niobiophosphate *","","- Ca0.504 Cs2 Nb6 O24 P3 -","- Ca0.504 Cs1.998 Nb6 O24 P3 -","- Ca1.512 Cs5.994 Nb18 O72 P9 -","3","0.166667","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24","Journal of Solid State Chemistry","1991","90","","279","284","10.1016/0022-4596(91)90143-6","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001862","13.3518","0.0005","13.3518","0.0005","10.3415","0.0005","90","","90","","120","","1596.6","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Sodium dirubidium tecto-hexaniobotriphosphate(V)","","- Na Nb6 O24 P3 Rb2 -","- Na Nb6 O24 P3 Rb1.998 -","- Na3 Nb18 O72 P9 Rb5.994 -","3","0.166667","","Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B","A large family of niobium phosphates with the Ca0.5 Cs2 Nb6 P3 O24 structure","Materials Research Bulletin","1991","26","","301","307","10.1016/0025-5408(91)90025-H","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007049","10.13","","10.13","","7.098","","90","","90","","120","","630.8","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Nickel ammonium catena-phosphate","","- H4 N Ni O9 P3 -","- H4.67 N Ni O9 P3 -","- H14.01 N3 Ni3 O27 P9 -","3","0.166667","","Tordjman, I; Tranqui, D; Durif, A; Averbuch, M T","Structure cristalline du metaphosphate de nickel-ammonium rhomboedrique Ni N H~4~ (P O~3~)~3~. Donnees cristallographique sur les metaphosphates rhomboedriques du type M^II^ N H~4~ (P O~3~)3 (M^II^ = Ni, Co, Mg)","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","242","246","","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509886","12.68145","","12.68145","","15.34087","","90","","90","","120","","2136.58","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Ag4 Mn3 O8 -","- Ag4 Mn3 O8 -","- Ag48 Mn36 O96 -","12","0.666667","","Jansen, M.; Ahlert, S.; Dinnebier, R.","The crystal structures of the high temperature phases of Ag4 Mn3 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","90","98","10.1002/zaac.200400421","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509905","9.873","","9.873","","3.381","","90","","90","","120","","285.413","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Ag3 B O3 -","- Ag3 B O3 -","- Ag9 B3 O9 -","3","0.166667","","Scheld, W.; Jansen, M.","Silber(I)-orthoborat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","477","","85","89","10.1002/zaac.19814770609","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511509","9.587","","9.587","","7.608","","90","","90","","120","","605.573","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(Nd0.5 Bi0.5) Fe3 (B O3)4","","- B4 Bi0.5 Fe3 Nd0.5 O12 -","- B4 Bi0.5 Fe3 Nd0.5 O12 -","- B12 Bi1.5 Fe9 Nd1.5 O36 -","3","0.166667","","Belokoneva, E.L.; Timchenko, T.I.; Leonyuk, N.I.; Al'shinskaya, L.I.; Simonov, M.A.; Belov, N.V.","The crystal structure of (Nd, Bi) Fe3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1979","20","","542","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511617","9.796","","9.796","","7.96","","90","","90","","120","","661.517","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Ce Sc3 (B O3)4","","- B4 Ce O12 Sc3 -","- B4 Ce O12 Sc3 -","- B12 Ce3 O36 Sc9 -","3","0.166667","","Reynolds, T.A.; Peterson, G.A.; Keszler, D.A.","Stoichiometric, trigonal huntite borate Ce Sc3 (B O3)4","International Journal of Inorganic Materials","2000","2","","101","106","10.1016/S1466-6049(00)00011-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511739","9.5466","","9.5466","","7.5704","","90","","90","","120","","597.512","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Tb Fe3 (B O3)4","","- B4 Fe3 O12 Tb -","- B4 Fe3 O12 Tb -","- B12 Fe9 O36 Tb3 -","3","0.166667","","Alemi, A.; Hinatsu, Y.; Ito, K.; Wakeshima, M.; Doi, Y.","Magnetic and calorimetric studies on rare-earth iron borates Ln Fe3 (B O3)4 (Ln = Y, La - Nd, Sm - Ho)","Journal of Solid State Chemistry","2003","172","","438","445","10.1016/S0022-4596(03)00028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511741","9.5","","9.5","","7.502","","90","","90","","120","","586.347","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Nd Ga3 (B O3)4","","- B4 Ga3 Nd O12 -","- B4 Ga3 Nd O12 -","- B12 Ga9 Nd3 O36 -","3","0.166667","","Timchenko, T.I.; Al'shinskaya, L.I.; Belov, N.V.; Leonyuk, N.I.; Simonov, M.A.; Belokoneva, E.L.","Crystal structure of Nd Ga3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1978","19","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511754","9.819","","9.819","","7.987","","90","","90","","120","","666.882","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","La Sc3 (B O3)4","","- B4 La O12 Sc3 -","- B4 La O12 Sc3 -","- B12 La3 O36 Sc9 -","3","0.166667","","Lu, S.-F.; He, M.-Y.; Chen, W.-Z.; Lin, Z.-B.; Wang, G.-F.; Wu, Q.-J.","Structure of medium temperature phase beta-(La Sc3 (B O3)4) crystal","Materials Research Innovation","1999","2","","345","348","10.1007/s100190050112","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1520106","33.03","0.004","33.03","0.004","28.099","0.004","90","","90","","120","","26548","6","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C224 H273 B3 F12 N12 O66 Zn8 -","- C192 H180 N12 O50 Zn8 -","- C576 H540 N36 O150 Zn24 -","3","0.166667","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","0.71073","MoKα","","0.1311","0.0782","","","0.2135","0.2814","","","","","","0.997","","","","has coordinates,has disorder","192145","2020-10-21","18:00:00",""
"1521340","4.90363","","4.90363","","23.93459","","90","","90","","120","","498.416","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Sr (Al2 B2 O7)","","- Al2 B2 O7 Sr -","- Al2 B2 O7 Sr -","- Al6 B6 O21 Sr3 -","3","0.166667","","Kaduk, J.A.; Satek, L.C.; McKenna, S.T.","Crystal structures of metal aluminium borates","The Rigaku Journal","1999","16","","17","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523435","8.351","","8.351","","25.845","","90","","90","","120","","1560.93","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","","","- Hg Mg3 -","- Hg Mg3 -","- Hg18 Mg54 -","18","1","","Daams, J.L.C.; van Vucht, J.H.N.","Contribution to the system Mg-Au-Hg","Philips Journal of Research","1984","39","","275","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524770","9.3014","","9.3014","","7.2571","","90","","90","","120","","543.739","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Gd Al3 (B O3)4","","- Al3 B4 Gd O12 -","- Al3 B4 Gd O12 -","- Al9 B12 Gd3 O36 -","3","0.166667","","Kuroda, R.; Rosini, C.; Mason, S.F.","Crystal structure and single-crystal spectra of Gd0.97 Eu0.03 Al3 (B O3)4","Journal of the Chemical Society. Faraday Transactions 2.","1981","77","","2125","2140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526005","9.293","","9.293","","7.236","","90","","90","","120","","541.179","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Y Al3 (B O3)4","","- Al3 B4 O12 Y -","- Al3 B4 O12 Y -","- Al9 B12 O36 Y3 -","3","0.166667","","Meszaros, G.; Svab, E.; Toth, M.; Beregi, E.; Watterich, A.","Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction","Physik (Berlin)","2000","276","","310","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526006","9.342","","9.342","","7.325","","90","","90","","120","","553.628","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Y (Al1.5 Ga1.5) (B O3)4","","- Al1.5 B4 Ga1.5 O12 Y -","- Al1.5 B4 Ga1.5 O12 Y -","- Al4.5 B12 Ga4.5 O36 Y3 -","3","0.166667","","Meszaros, G.; Svab, E.; Toth, M.; Watterich, A.; Beregi, E.","Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction","Physik (Berlin)","2000","276","","310","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528662","9.5381","","9.5381","","12.6146","","90","","90","","120","","993.866","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Sr Co0.83 O2.5","","- Co0.83 O2.5 Sr -","- Co0.833333 O2.5 Sr -","- Co15 O45 Sr18 -","18","1","","de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T.","Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study","Solid State Sciences","2008","10","","1924","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528773","15.926","","15.926","","12.363","","90","","90","","120","","2715.61","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(Mn (H2 O)4) (Co Mo9 O27 (O H)5) (H2 O)7","","- Co H27 Mn Mo9 O43 -","- Co Mn0.999 Mo9 O42.995 -","- Co3 Mn2.997 Mo27 O128.985 -","3","0.166667","","Oreshkina, A.V.; Rabadanov, M.Kh.; Ivanova, A.G.; Kaziev, G.Z.","Synthesis, thermal analysis, and crystal structure of manganese(II) 9-molybdocobaltate(III)","Kristallografiya","2007","52","","1096","1099","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529269","9.2833","0.0007","9.2833","0.0007","7.2234","0.0006","90","","90","","120","","539.11","0.07","296","2","296","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Al3 B4 Er O12 -","- Al3 B4 Er O12 -","- Al9 B12 Er3 O36 -","3","0.166667","","Malakhovskii, Alexander; Kutsak, Tatyana; Sukhachev, Alexander; Krylov, Alexander; Gudim, Irina; Alexandrovsky, Alexander; Molokeev, Maxim","Spectroscopic properties of ErAl3(BO3)4 single crystal","Chemical Physics","2014","428","0","137","","10.1016/j.chemphys.2013.11.008","","","0.71073","MoKα","","0.0104","0.0104","","","0.0237","0.0237","","","","","","0.929","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529270","9.566","0.004","9.566","0.004","7.591","0.003","90","","90","","120","","601.6","0.4","296","2","296","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B4 Er Fe3 O12 -","- B4 Er Fe3 O12 -","- B12 Er3 Fe9 O36 -","3","0.166667","","Malakhovskii, Alexander; Sokolov, Valerii; Sukhachev, Alexander; Gudim, Irina; Molokeev, Maxim","Spectroscopic properties and structure of the ErFe3(BO3)4 single crystal","Physics of the Solid State","2014","56","10","2056","","10.1134/S1063783414100199","","","0.71073","MoKα","","0.0166","0.0166","","","0.0388","0.0388","","","","","","1.096","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529621","9.295","","9.295","","7.243","","90","","90","","120","","541.936","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Y Al3 (B O3)4","","- Al3 B4 O12 Y -","- Al3 B4 O12 Y -","- Al9 B12 O36 Y3 -","3","0.166667","","Belokoneva, E.L.; Azizov, A.V.; Leonjuk, N.I.; Belov, N.V.; Simonov, M.A.","The crystal structure of Y Al3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","196","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530407","21.926","","21.926","","12.556","","90","","90","","120","","5227.58","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Na15 Lu3 (Si12 O36)","","- Lu3 Na15 O36 Si12 -","- Lu3 Na15 O36 Si12 -","- Lu18 Na90 O216 Si72 -","6","0.333333","","Merinov, B.V.; Maksimov, B.A.; Belov, N.V.; Kharitonov, Yu.A.","Crystal structure of the rare-earth silicate Na5 Lu Si4 O12","Doklady Akademii Nauk SSSR","1978","240","","81","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","155506","2020-10-21","18:00:00",""
"1530609","10.514","","10.514","","19.987","","90","","90","","120","","1913.44","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Nd (O2 S N)3 (H2 O)6","","- H12 N3 Nd O12 S3 -","- N3 Nd O12 S3 -","- N18 Nd6 O72 S18 -","6","0.333333","","Porai-Koshits, M.A.; Sokol, V.I.; Kop'eva, M.A.","Rare-earth trisulfimidates. Crystal structure of (H2 O)6 Nd (O2 S N)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","702","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532380","9.251","","9.251","","7.189","","90","","90","","120","","532.815","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Yb Al3 (B O3)4","","- Al3 B4 O12 Yb -","- Al3 B4 O12 Yb -","- Al9 B12 O36 Yb3 -","3","0.166667","","Xu, Y.-Y.; Chen, Y.-J.; Huang, Y.-D.; Luo, Z.-D.; Chen, J.-T.","Growth and crystal structure of Yb Al3 (B O3)4","Jiegon Huaxue","2002","21","","402","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534613","6.028","","6.028","","62.224","","90","","90","","120","","1958.1","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Ca2 Fe22 O33 -","- Ca2 Fe22 O33 -","- Ca6 Fe66 O99 -","3","0.166667","","Arakcheeva, A.V.; Karpinskii, O.G.","Crystal structure of hexagonal Ca-ferrite, Ca2 Fe22 O33","Kristallografiya","1990","35","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535153","10.0492","","10.0492","","28.3855","","90","","90","","120","","2482.5","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Ba12 Rh9.248 Ir1.752 O33","","- Ba12 Ir1.752 O33 Rh9.248 -","- Ba12 Ir1.752 O33 Rh9.248 -","- Ba36 Ir5.256 O99 Rh27.744 -","3","0.166667","","Stitzer, K.E.; zur Loye, H.C.; El Abed, A.; Darriet, J.","Crystal growth, structure determination and magnetism of a new m=1, n=1 member of the A(3n+3m) A'(n) B(3m+n) O(9m+6n) family of oxides: 12R-Ba12 Rh9.25 Ir1.75 O33","Journal of Solid State Chemistry","2004","177","","1405","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","162360","2020-10-21","18:00:00",""
"1536186","9.4424","","9.4424","","7.4105","","90","","90","","120","","572.194","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Bi Al Ga2 (B O3)4","","- Al B4 Bi Ga2 O12 -","- Al0.999 B4 Bi Ga2.001 O12 -","- Al2.997 B12 Bi3 Ga6.003 O36 -","3","0.166667","","Wang Shichao; Ye Ning","Nonlinear optical crystal Bi Al Ga2 (B O3)4","Solid State Sciences","2007","9","","713","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536594","13.742","","13.742","","16.61","","90","","90","","120","","2716.44","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Na2 (In Ga5 Se10)","","- Ga5 In Na2 Se10 -","- Ga5.07 In0.93 Na2.005 Se10 -","- Ga30.42 In5.58 Na12.03 Se60 -","6","0.333333","","Kienle, L.; Duppel, V.; Deiseroth, H.J.; Simon, A.","Ordnungsvarianten in ternaeren Chalkogeniden mit aufgefuellter beta-Manganstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","443","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536892","15.681","","15.681","","12.398","","90","","90","","120","","2640.16","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Na4 (Mo10 O32) (H2 O)8","","- H16 Mo10 Na4 O40 -","- Mo10 Na4.002 O39.998 -","- Mo30 Na12.006 O119.994 -","3","0.166667","","Feng, L.-Y.; Xu, Y.; Wang, Y.-H.; Hu, C.-W.; Qi, Y.-J.; Wang, E.-B.","Synthesis and crystal structure of the first Waugh-type isopolyoxomolybdate Na4 Mo10 O32 * 8(H2 O)","Journal of Molecular Structure","2003","645","","231","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","164776","2020-10-21","18:00:00",""
"1538410","9.567","","9.567","","22.703","","90","","90","","120","","1799.56","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","(H3 O)3 ((U O2)3 O (O H)3 (Se O4)2)","","- H12 O21 Se2 U3 -","- O21 Se2 U3 -","- O63 Se6 U9 -","3","0.166667","","Mit'kovskaya, E.V.; Mikhailov, Yu.N.; Gorbunova, Yu.E.; Serezhkina, L.B.; Serezhkin, V.N.","Crystal structure of (H3 O)3 ((U O2)3 O (O H)3 (Se O4)2)","Zhurnal Neorganicheskoi Khimii","2003","48","","755","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","166947","2020-10-21","18:00:00",""
"1540091","6.029","","6.029","","7.249","","90","","90","","120","","228.191","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","","","- Ni3 Se2 -","- Ni3 Se2 -","- Ni9 Se6 -","3","0.166667","","Hiller, J.E.; Wegener, W.","Untersuchungen im System Nickel-Selen","Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-)","1960","94","","1147","1159","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540208","6.011","","6.011","","94.69","","90","","90","","120","","2962.98","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Ca2.5 Fe15.5 O25 -","- Ca2.5 Fe15.5 O25 -","- Ca15 Fe93 O150 -","6","0.333333","","Karpinskii, O.G.; Arakcheeva, A.V.","Crystal structure of triple hexagonal Ca-ferrite Ca3.0 Fe14.82 O25 (alpha-CFF-phase)","Kristallografiya","1987","32","","55","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541888","23.2392","0.0006","23.2392","0.0006","27.9791","0.001","90","","90","","120","","13086","0.7","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C81 H129 Au3 N3 P -","- C81 H129 Au3 N3 P -","- C486 H774 Au18 N18 P6 -","6","0.333333","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0477","0.0384","","","0.0868","0.0899","","","","","","1.027","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545742","42.8927","0.0012","42.8927","0.0012","56.6605","0.0017","90","","90","","120","","90277","4","100","2","100.02","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C96 H172 Cl K4 O86 -","- C96 H172 Cl K4 O86 -","- C1728 H3096 Cl18 K72 O1548 -","18","1","","Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies.","Molecular pharmaceutics","2017","14","5","1831","1839","10.1021/acs.molpharmaceut.7b00168","","","1.54178","CuKα","","0.1","0.0928","","","0.2544","0.271","","","","","","1.223","","","","has coordinates,has disorder","204139","2020-10-21","18:00:00",""
"1545793","13.52363","0.00038","13.52363","0.00038","31.1617","0.001","90","","90","","120","","4935.6","0.3","300","","300","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B30 Nd5 O60 Rb15 -","- B30 Nd5 O60 Rb15 -","- B90 Nd15 O180 Rb45 -","3","0.166667","","V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev","Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12","Advanced Powder Technology","2017","28","5","1309","1315","10.1016/j.apt.2017.02.019","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.75","4.75","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1546536","16.1035","0.0007","16.1035","0.0007","12.2637","0.0006","90","","90","","120","","2754.2","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- Co H48 Mo9 N6 O44 -","- Co H63 Mo9 N6 O44 -","- Co3 H189 Mo27 N18 O132 -","3","0.166667","","Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao","Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation","Nanoscale","2017","","","","","10.1039/C7NR04373B","","","0.71073","MoKα","","0.0392","0.0387","","","0.0861","0.0866","","","","","","1.091","","","","has coordinates","204139","2020-10-21","18:00:00",""
"1549647","26.7135","0.0007","26.7135","0.0007","71.325","0.004","90","","90","","120","","44079","3","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C1260 H1188 Cl54 Dy90 N288 O468 P36 -","9","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.0755","0.0617","","","0.1319","0.1459","","","","","","0.987","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1551321","20.792","0.004","20.792","0.004","45.156","0.009","90","","90","","120","","16906","6","400","","400","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0925","0.0742","","","0.2008","0.229","","","","","","1.053","","","","has coordinates,has disorder","215818","2020-10-21","18:00:00",""
"1551322","20.804","0.003","20.804","0.003","45.126","0.007","90","","90","","120","","16914","4","400","2","450","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H234 N35 -","- C648 H702 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0892","0.0678","","","0.1934","0.2233","","","","","","1.025","","","","has coordinates,has disorder","215819","2020-10-21","18:00:00",""
"1551323","20.4108","0.0007","20.4108","0.0007","44.6718","0.0017","90","","90","","120","","16117","1","100","","100","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0524","0.0433","","","0.1164","0.1232","","","","","","1.057","","","","has coordinates,has disorder","215820","2020-10-21","18:00:00",""
"1551324","20.6365","0.0016","20.6365","0.0016","44.899","0.004","90","","90","","120","","16559","2","300","","300","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0865","0.046","","","0.1236","0.1546","","","","","","1.081","","","","has coordinates,has disorder","215821","2020-10-21","18:00:00",""
"1551325","20.718","0.002","20.718","0.002","44.992","0.005","90","","90","","120","","16725","3","300","","300","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C218.02 H246.5 Cl1.5 N35 O1.5 -","- C218.02 H240.5 Cl1.5 N35 O0.84 -","- C654.06 H721.5 Cl4.5 N105 O2.52 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0963","0.0737","","","0.2022","0.2282","","","","","","1.055","","","","has coordinates,has disorder","215822","2020-10-21","18:00:00",""
"1551326","20.6071","0.0011","20.6071","0.0011","44.949","0.003","90","","90","","120","","16530.4","1.7","293","","293","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.6889","Synchrotron","","0.0798","0.0583","","","0.161","0.1801","","","","","","1.036","","","","has coordinates,has disorder","215823","2020-10-21","18:00:00",""
"1551327","20.5397","0.0011","20.5397","0.0011","44.747","0.003","90","","90","","120","","16348.7","1.7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C226 H268 Cl6 N35 O8 -","- C223.93 H260 Cl6 N35 O8.02 -","- C671.79 H780 Cl18 N105 O24.06 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0745","0.0662","","","0.19","0.2001","","","","","","1.062","","","","has coordinates,has disorder","215824","2020-10-21","18:00:00",""
"1557094","18.564","0.003","18.564","0.003","18.05","0.003","90","","90","","120","","5387","1.5","88","2","88","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C36 H90 Gd K N5 O6 Si6 -","- C36 H90 Gd K N5 O6 Si6 -","- C108 H270 Gd3 K3 N15 O18 Si18 -","3","0.166667","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0304","0.0235","","","0.0411","0.0426","","","","","","1.005","","","","has coordinates","257359","2020-10-21","18:00:00",""
"1557666","11.8682","0.0004","11.8682","0.0004","38.4392","0.0016","90","","90","","120","","4688.9","0.3","153","2","153","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C61 H66 F3 N8 O15 S Tb Zn2 -","- C61 H66 F3 N8 O15 S Tb Zn2 -","- C183 H198 F9 N24 O45 S3 Tb3 Zn6 -","3","0.166667","","Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw","Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11057","","","0.71075","MoKα","","0.0258","0.0255","","","0.0645","0.0648","","","","","","1.066","","","","has coordinates","249765","2020-10-21","18:00:00",""
"1558396","8.043","0.002","8.043","0.002","31.821","0.009","90","","90","","120","","1782.7","0.8","","","122","","","","","","","","","6","R 3 2 :H","R 3 2""","155","[Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane)","","","- C12 H38.5 Cl3.5 Ir N6 O4 -","- C12 H30 Cl3.5 Ir N6 O4 -","- C36 H90 Cl10.5 Ir3 N18 O12 -","3","0.166667","","Flensburg, Claus; Simonsen, Kim; Skov, Lars Kobberoe","Preparation, Isolation and Characterization of fac-[Ir(tacn)(H2O)3](CF3SO3)3, fac-[Ir(tacn)(CF3SO3)3] and [Ir(tacn)2]Cl3.1/2HCl.4H2O. Crystal Structure of [Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane)","Acta Chemica Scandinavica","1994","48","","209","214","10.3891/acta.chem.scand.48-0209","","x-ray","1.5418","CuKα","","","0.017","","","0.048","","","","","","","1.164","","","","has coordinates","253356","2020-10-21","18:00:00",""
"1559066","9.031","0.002","9.031","0.002","41.079","0.008","90","","90","","120","","2901.5","1.1","","","295","","","","","","","","","7","R 3 2 :H","R 3 2""","155","[(Me3-tame)Cr(H3O2)3Cr(Me3-tame)](CF3SO3)3","","","- C19 H51 Cr2 F9 N6 O15 S3 -","- C18.45 Cr2 F9 N12 O10.5 S2.45 -","- C55.35 Cr6 F27 N36 O31.5 S7.35 -","3","0.166667","","Andersen, Peter; Larsen, Sine; Pretzmann, Ulla","Hydrolytic Properties of the Triaqua[N,N',N''-trimethyl-1,1,1-tris(aminomethyl)ethane]chromium(III) Ion, [Cr(Me3-tame)(H2O)3]3+. Crystal Structure of [(Me3-tame)Cr(H3O2)3Cr(Me3-tame)](CF3SO3)3 with Three Short Hydrogen Bonds Connecting the Two Mononuclear Units","Acta Chemica Scandinavica","1993","47","","1147","1153","10.3891/acta.chem.scand.47-1147","","x-ray","0.71073","MoKα","","","0.036","","","","0.1","","","","","","0.972","","","","has coordinates","256346","2020-10-21","18:00:00",""
"1561508","13.8647","0.0006","13.8647","0.0006","18.9623","0.0014","90","","90","","120","","3156.8","0.3","100","2","100","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C9 H40.5 N7.5 Na O1.5 Se14 Sn6 -","- C9 H37.5 N7.5 Na O1.5 Se14 Sn6 -","- C27 H112.5 N22.5 Na3 O4.5 Se42 Sn18 -","3","0.166667","","Du, Cheng-Feng; Li, Jian-Rong; Shen, Nan-Nan; Huang, Xiao-Ying","Ionothermal synthesis and electrochemical properties of a selenidostannate containing the mixed cations of Na+ and enH+","Journal of Solid State Chemistry","2016","238","","203","209","10.1016/j.jssc.2016.03.036","","","0.71073","MoKα","","0.0292","0.025","","","0.0527","0.0551","","","","","","1.006","","","","has coordinates,has disorder","263907","2021-04-06","09:35:29",""
"1561592","8.785","0.0002","8.785","0.0002","22.6496","0.0003","90","","90","","120","","1513.82","0.05","298","","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- Ca Mn0.5 O12 P3 Zr1.5 -","- Ca0.232 Mn0.182 O12 P1.5 Zr0.5 -","- Ca1.392 Mn1.092 O72 P9 Zr3 -","6","0.333333","","Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina","Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate","Journal of Solid State Chemistry","2016","235","","36","42","10.1016/j.jssc.2015.12.014","powder diffraction","","","X-ray","","","","","","","","","3.3264","","","","","","","","has coordinates","264003","2021-04-09","07:43:00",""
"1569629","9.5443","0.0001","9.5443","0.0001","7.5603","0.0001","90","","90","","120","","596.428","0.012","59.9","0.2","59.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0145","0.0145","","","0.0327","0.0327","","","","1.01","1.01","1.01","","","","has coordinates","285546","2023-08-05","16:34:57",""
"1569630","9.543","0.0001","9.543","0.0001","7.5634","0.0001","90","","90","","120","","596.51","0.012","25.01","0.13","25.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0162","0.0162","","","0.0379","0.0379","","","","1.01","1.01","1.01","","","","has coordinates","285547","2023-08-05","16:35:22",""
"1569631","9.5435","0.0001","9.5435","0.0001","7.5628","0.0001","90","","90","","120","","596.525","0.012","292.99","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 -","- Al0.2499 B4 Bi0.05 Fe2.7501 O12 Sm0.95 -","- Al0.7497 B12 Bi0.15 Fe8.2503 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0161","0.0161","","","","1","1","1","","","","has coordinates","285548","2023-08-05","16:35:56",""
"1569632","9.5534","0.0001","9.5534","0.0001","7.5767","0.0001","90","","90","","120","","598.862","0.012","292.98","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 -","- Al0.1701 B4 Bi0.05 Fe2.8299 O12 Sm0.95 -","- Al0.5103 B12 Bi0.15 Fe8.4897 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0167","0.0167","","","","1.02","1.02","1.02","","","","has coordinates","285549","2023-08-05","16:36:30",""
"1569633","9.5329","0.0001","9.5329","0.0001","7.5553","0.0001","90","","90","","120","","594.61","0.012","293.01","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0156","0.0156","","","","1.03","1.03","1.03","","","","has coordinates","285550","2023-08-05","16:37:03",""
"1569634","9.565","0.0001","9.565","0.0001","7.5869","0.0001","90","","90","","120","","601.125","0.012","293","0.1","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B12 Bi0.15 Fe9 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0111","0.0111","","","0.0149","0.0149","","","","1.01","1.01","1.01","","","","has coordinates","285551","2023-08-05","16:37:31",""
"1569635","9.5443","0.0001","9.5443","0.0001","7.5598","0.0001","90","","90","","120","","596.388","0.012","150.01","0.1","150.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0172","0.017","","","0.0362","0.0363","","","","1.02","1.02","1.02","","","","has coordinates","285552","2023-08-05","16:38:04",""
"1569636","9.5595","0.0001","9.5595","0.0001","7.5816","0.0001","90","","90","","120","","600.015","0.012","292.98","0.14","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 -","- Al0.0699 B4 Bi0.07 Fe2.9301 O12 Sm0.93 -","- Al0.2097 B12 Bi0.21 Fe8.7903 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0115","0.0115","","","0.0151","0.0151","","","","1.01","1.01","1.01","","","","has coordinates","285553","2023-08-05","16:38:37",""
"1569637","9.5444","0.0001","9.5444","0.0001","7.5601","0.0001","90","","90","","120","","596.424","0.012","79.9","0.2","79.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0155","0.0154","","","0.0339","0.034","","","","1.02","1.02","1.02","","","","has coordinates","285554","2023-08-05","16:39:11",""
"1569638","9.5439","0.0001","9.5439","0.0001","7.5624","0.0001","90","","90","","120","","596.543","0.012","29.98","0.17","29.98","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0348","","","","1.02","1.02","1.02","","","","has coordinates","285555","2023-08-05","16:39:35",""
"1569639","9.5443","0.0001","9.5443","0.0001","7.5632","0.0001","90","","90","","120","","596.657","0.012","220","0.1","220","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0196","0.0193","","","0.0402","0.0403","","","","1.01","1.01","1.01","","","","has coordinates","285556","2023-08-05","16:40:02",""
"1569640","9.5452","0.0001","9.5452","0.0001","7.568","0.0001","90","","90","","120","","597.148","0.012","293","0.1","293","0.1","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0234","0.0224","","","0.0456","0.0462","","","","1","1","1","","","","has coordinates","285557","2023-08-05","16:40:33",""
"1569641","9.5438","0.0001","9.5438","0.0001","7.5616","0.0001","90","","90","","120","","596.468","0.012","39.9","0.3","39.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0329","0.0329","","","","1.02","1.02","1.02","","","","has coordinates","285558","2023-08-05","16:40:59",""
"1569642","9.5441","0.0001","9.5441","0.0001","7.5621","0.0001","90","","90","","120","","596.545","0.012","35","0.2","35","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0149","0.0148","","","0.0343","0.0344","","","","1","1","1","","","","has coordinates","285559","2023-08-05","16:41:23",""
"1569643","9.544","0.0001","9.544","0.0001","7.561","0.0001","90","","90","","120","","596.445","0.012","50","0.3","50","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0349","","","","1.02","1.02","1.02","","","","has coordinates","285560","2023-08-05","16:41:59",""
"1569644","9.545","0.0001","9.545","0.0001","7.5598","0.0001","90","","90","","120","","596.476","0.012","109.9","0.3","109.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0164","0.0163","","","0.0379","0.0379","","","","1","1","1","","","","has coordinates","285561","2023-08-05","16:42:24",""
"1569645","9.5446","0.0001","9.5446","0.0001","7.5602","0.0001","90","","90","","120","","596.457","0.012","70","0.2","70","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.015","0.0149","","","0.0334","0.0335","","","","1.02","1.02","1.02","","","","has coordinates","285562","2023-08-05","16:42:49",""
"1570657","4.2493","","4.2493","","1.73409","","90","","90","","120","","27.117","","","","","","","","","","","","","1","R 3 2 :H","R 3 2""","155","","","","- S -","- S -","- S18 -","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",""
"1571646","13.0897","0.0001","13.0897","0.0001","60.7234","0.0012","90","","90","","120","","9010.4","0.2","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0311","0.0251","","","0.0571","0.06","","","","","","1.053","","","","has coordinates","292925","2024-07-05","15:07:58",""
"1571647","13.367","0.003","13.367","0.003","14.906","0.003","90","0.03","90","0.03","120","0.03","2306.5","1.1","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B45 Ba0 O90 Rb21 Sc5.2 Sr3.8 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0189","0.0168","","","0.038","0.0387","","","","","","1.099","","","","has coordinates","292925","2024-07-05","15:07:59",""
"2001695","17.32","0.002","17.32","0.002","16.963","0.002","90","","90","","120","","4406.9","0.9","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C10 H17 Cl N -","- C10 H17.5 Cl0.5 N -","- C180 H315 Cl9 N18 -","18","1","ST0476","Abboud, K. A.; Davis, R. E.; Chen, K.-M.; Whitesell, J. K.","Structure at 198 K of a chiral tricyclic aminochloride, C~10~H~17~N.0.5HCl","Acta Crystallographica Section C","1993","49","5","936","938","10.1107/S0108270192012502","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004053","7.6178","0.0009","7.6178","0.0009","7.2537","0.0007","90","","90","","120","","364.54","0.07","297","","","","","","","","","","see text","4","R 3 2 :H","R 3 2""","155","","","","- Ba H3 I O6 -","- Ba H3 I O6 -","- Ba3 H9 I3 O18 -","3","0.166667","OH1082","Sasaki, M.; Yarita, T.; Sato, S.","Ba[H~3~IO~6~]","Acta Crystallographica Section C","1995","51","10","1968","1970","10.1107/S0108270195004744","","","0.71069","MoKα","","","0.011","","","0.014","","","","","1.29","1.29","","","","","has coordinates","211153","2020-10-21","18:00:00",""
"2005443","11.559","0.002","11.559","0.002","21.783","0.004","90","","90","","120","","2520.5","0.8","293","2","293","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Perchlorotriphenylcarbonium hexachloroantimonate(V)","","- C19 Cl21 Sb -","- C19 Cl21.008 Sb -","- C57 Cl63.024 Sb3 -","3","0.166667","AB1351","Molins, E.; Mas, M.; Maniukiewicz, W.; Ballester, M.; Castañer, J.","Perchlorotriphenylcarbenium Hexachloroantimonate(V)","Acta Crystallographica Section C","1996","52","10","2412","2414","10.1107/S0108270196007287","","","0.71073","MoKα","","0.049","0.0438","","0.1379","0.1322","","","","1.026","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006818","11.645","0.002","11.645","0.002","38.273","0.008","90","","90","","120","","4494.7","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","Monoammonium bis(D-penicillaminato-S)aurate(I) 3.667 hydrate","","- C10 H31.333 Au N3 O7.667 S2 -","- C10 H31.3333 Au N3 O7.66667 S2 -","- C90 H282 Au9 N27 O69 S18 -","9","0.5","FR1038","LeBlanc, Daren J.; Britten, James F.; Wang, Zhixian; Howard-Lock, Helen E.; Lock, Colin J.L.","Monoammonium Bis(<small>D</small>-penicillaminato-<i>S</i>)aurate(I) 3.667-Hydrate","Acta Crystallographica Section C","1997","53","12","1763","1765","10.1107/S0108270197009724","","","0.56086","AgKα","","0.0347","0.0277","","0.0598","0.0581","","","","0.995","1.031","1.031","","","","","has coordinates,has disorder","187340","2020-10-21","18:00:00",""
"2009231","5.6969","0.0006","5.6969","0.0006","23.523","0.003","90","","90","","120","","661.15","0.13","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","sodium calcium tantalate","disodiumtricalciumditantalumnonaoxide","","- Ca3 Na2 O9 Ta2 -","- Ca3 Na2 O9 Ta2 -","- Ca9 Na6 O27 Ta6 -","3","0.166667","BR1255","Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko","Na~2~Ca~3~Ta~2~O~9~ with a simple stacking of oxygen triangular nets","Acta Crystallographica Section C","1999","55","12","1978","1980","10.1107/S0108270199010513","","","0.71073","MoKα","","0.022","0.021","","","","0.057","","","","","","1.187","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011446","9.7508","0.0007","9.7508","0.0007","28.177","0.002","90","","90","","120","","2320.1","0.3","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Na5 Nd O21 -","- C12 H24 B2 F8 Na5 Nd O21 -","- C36 H72 B6 F24 Na15 Nd3 O63 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.022","0.022","","","","0.055","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011447","9.7223","0.0011","9.7223","0.0011","28.0728","0.0014","90","","90","","120","","2298","0.4","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Na5 O21 Sm -","- C12 H24 B2 F8 Na5 O21 Sm -","- C36 H72 B6 F24 Na15 O63 Sm3 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.014","0.014","","","","0.037","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011448","9.7041","0.001","9.7041","0.001","28.025","0.006","90","","90","","120","","2285.5","0.6","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Gd Na5 O21 -","- C12 H24 B2 F8 Gd Na5 O21 -","- C36 H72 B6 F24 Gd3 Na15 O63 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.012","0.012","","","","0.032","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015470","15.3025","0.0005","15.3025","0.0005","38.2467","0.0017","90","","90","","120","","7756.2","0.5","193","2","193","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","hexakis[tris(ethylenediamine-κ^2^N,N')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate, [Ni(C~2~H~8~N~2~)~3~]~6~[Cu~2~(CN)~7~]~2~[Cu(CN)~3~].9H~2~O","","- C53 H162 Cu5 N53 Ni6 O9 -","- C53 H162 Cu5 N53 Ni6 O9 -","- C159 H486 Cu15 N159 Ni18 O27 -","3","0.166667","DN3005","Juraj Kuchár; Juraj Černák; Werner Massa","Hexakis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate","Acta Crystallographica Section C","2006","62","8","m337","m339","10.1107/S0108270106015769","","","0.71073","MoKα","","0.0617","0.0362","","","0.075","0.0827","","","","","","0.893","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015629","10.601","0.002","10.601","0.002","12.484","0.002","90","","90","","120","","1215","0.4","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichloromanganese(II)","","- C12 H25 Cl3 Mn N4 -","- C12 H25 Cl3 Mn N4 -","- C36 H75 Cl9 Mn3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.015","","","","0.0365","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015630","10.5409","0.001","10.5409","0.001","12.303","0.002","90","","90","","120","","1183.9","0.2","223","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichlorocobalt(II)","","- C12 H25 Cl3 Co N4 -","- C12 H25 Cl3 Co N4 -","- C36 H75 Cl9 Co3 N12 -","3","0.166667","BC3016","Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma","Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2006","62","11","m507","m509","10.1107/S0108270106037504","","","0.71073","MoKα","","","0.0199","","","","0.0414","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016928","8.0903","0.0011","8.0903","0.0011","35.612","0.007","90","","90","","120","","2018.6","0.6","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","bis[μ~3~-1,3,5-triamino-trideoxy-<i>cis</i>-inositolato(3-)]-tri-bismuth(III) trichloride hexahydrate","","- C12 H36 Bi3 Cl3 N6 O12 -","- C12 H34.02 Bi3 Cl3 N6 O12 -","- C36 H102.06 Bi9 Cl9 N18 O36 -","3","0.166667","LN3118","Hegetschweiler, Kaspar; Stucky, Stefan; Morgenstern, Bernd; Neis, Christian; Weyhermüller, Thomas","Redetermination of bis[μ~3~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositolato(3‒)]tribismuth(III) trichloride hexahydrate","Acta Crystallographica Section C","2009","65","1","m1","m3","10.1107/S0108270108039772","","","0.71073","MoKα","","0.0209","0.0208","","","0.0487","0.0487","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019361","41.4764","0.0004","41.4764","0.0004","36.2358","0.0005","90","","90","","120","","53984.7","1","100","0.1","100","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","Gramicidine S","","","- C188 H282 F12 N36 O58 -","- C188 H282 F12 N36 O58 -","- C1692 H2538 F108 N324 O522 -","9","0.5","","Llamas-Saiz, Antonio L.; Grotenbreg, Gijsbert M.; Overhand, Mark; van Raaij, Mark J.","Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids","Acta Crystallographica Section D Biological Crystallography","2007","63","3","401","407","10.1107/S0907444906056435","","","1.5418","CuKα","","0.1525","0.1461","","","0.3849","0.395","","","","","","1.864","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2019574","15.4137","0.0006","15.4137","0.0006","27.2718","0.0014","90","","90","","120","","5611.2","0.4","193","2","193","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","","- C38 H27 Fe N12 O1.5 -","- C38 H27 Fe N12 O1.5 -","- C228 H162 Fe6 N72 O9 -","6","0.333333","EM3067","Potočňák, Ivan; Váhovská, Lucia; Herich, Peter","Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","Acta Crystallographica Section C","2014","70","5","432","436","10.1107/S2053229614006512","","","0.71069","MoKα","","0.0293","0.0266","","","0.0606","0.0613","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2022342","6.02813","0.00013","6.02813","0.00013","7.24883","0.00016","90","","90","","120","","228.12","0.009","293","2","293","2","","","","","","","","2","R 3 2 :H","R 3 2""","155","","Trinickel diselenide","","- Ni3 Se2 -","- Ni3 Se2 -","- Ni9 Se6 -","3","0.166667","EP3012","Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko","Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe","Acta Crystallographica Section C","2021","77","4","169","175","10.1107/S2053229621002187","","","0.71073","MoKα","","0.0204","0.0204","","","","0.0517","","","","","","1.37","","","","has coordinates,has Fobs","264984","2021-05-06","07:09:09",""
"2100206","9.5203","0.0006","9.5203","0.0006","7.5439","0.0005","90","","90","","120","","592.15","0.07","297","1","297","1","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B4 Fe3 Gd O12 -","- B4 Fe3 Gd O12 -","- B12 Fe9 Gd3 O36 -","3","0.166667","","Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.","Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4","Acta Crystallographica, Section B: Structural Science","2005","61","5","481","485","10.1107/s0108768105017362","","","","","","","","","","","","","","","","","","","","","has coordinates","256862","2020-10-21","18:00:00",""
"2100946","7.2716","0.0005","7.2716","0.0005","27.346","0.003","90","","90","","120","","1252.2","0.2","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Er Ni3 -","- Al9 Er Ni3 -","- Al54 Er6 Ni18 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203318","2020-10-21","18:00:00",""
"2100947","7.3006","0.0009","7.3006","0.0009","27.478","0.005","90","","90","","120","","1464.5","0.4","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Gd Ni3 -","- Al9 Gd Ni3 -","- Al54 Gd6 Ni18 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203317","2020-10-21","18:00:00",""
"2100948","7.2894","0.0007","7.2894","0.0007","27.43","0.005","90","","90","","120","","1457.5","0.3","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Ni3 Y -","- Al12 Ni3 Y1.5 -","- Al72 Ni18 Y9 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203317","2020-10-21","18:00:00",""
"2100949","7.2723","0.0009","7.2723","0.0009","27.344","0.006","90","","90","","120","","1446.1","0.4","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Dy Ni3 -","- Al12 Dy1.5 Ni3 -","- Al72 Dy9 Ni18 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203317","2020-10-21","18:00:00",""
"2104391","4.4387","0.0006","4.4387","0.0006","19.942","0.004","90","","90","","120","","340.26","0.09","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Be2 F2 O3 Tl -","- B Be2 F2 O3 Tl -","- B3 Be6 F6 O9 Tl3 -","3","0.166667","BP5022","McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W.","Trigonal structures of <i>A</i>Be~2~BO~3~F~2~ (<i>A</i> = Rb, Cs, Tl) crystals","Acta Crystallographica Section B","2009","65","4","445","449","10.1107/S0108768109024161","","","0.71073","MoKα","","0.0378","0.0349","","","0.0832","0.0844","","","","","","1.195","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104392","4.4387","0.0006","4.4387","0.0006","19.82","0.004","90","","90","","120","","338.18","0.09","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Be2 F2 O3 Rb -","- B Be2 F2 O3 Rb -","- B3 Be6 F6 O9 Rb3 -","3","0.166667","BP5022","McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W.","Trigonal structures of <i>A</i>Be~2~BO~3~F~2~ (<i>A</i> = Rb, Cs, Tl) crystals","Acta Crystallographica Section B","2009","65","4","445","449","10.1107/S0108768109024161","","","0.71073","MoKα","","0.0362","0.036","","","0.0808","0.0808","","","","","","1.18","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104393","4.4575","0.0006","4.4575","0.0006","21.31","0.004","90","","90","","120","","366.69","0.1","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Be2 Cs F2 O3 -","- B Be2 Cs F2 O3 -","- B3 Be6 Cs3 F6 O9 -","3","0.166667","BP5022","McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W.","Trigonal structures of <i>A</i>Be~2~BO~3~F~2~ (<i>A</i> = Rb, Cs, Tl) crystals","Acta Crystallographica Section B","2009","65","4","445","449","10.1107/S0108768109024161","","","0.71073","MoKα","","0.0156","0.0156","","","0.0341","0.0341","","","","","","1.247","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2108223","9.5272","0.0001","9.5272","0.0001","7.5618","0.0001","90","","90","","120","","594.41","0.012","375","","375","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.0499 Fe3 O12 Y0.9501 -","- B12 Bi0.1497 Fe9 O36 Y2.8503 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0193","0.0166","","","0.0122","0.0124","","","","1.04","1.04","0.99","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108224","9.5265","0.0001","9.5265","0.0001","7.5561","0.0001","90","","90","","120","","593.875","0.012","380","","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.051 Fe3 O12 Y0.949 -","- B4 Bi0.0509 Fe3 O12 Y0.9491 -","- B12 Bi0.1527 Fe9 O36 Y2.8473 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0201","0.0173","","","0.0118","0.012","","","","0.95","0.95","0.91","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108225","9.5321","0.0001","9.5321","0.0001","7.5627","0.0001","90","","90","","120","","595.093","0.012","430","","430","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0488 Fe3 O12 Y0.9512 -","- B12 Bi0.1464 Fe9 O36 Y2.8536 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0202","0.017","","","0.0134","0.0136","","","","1.08","1.08","1.01","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108226","9.5394","0.0001","9.5394","0.0001","7.5765","0.0001","90","","90","","120","","597.092","0.012","500","0.2","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.054 Fe3 O12 Y0.946 -","- B4 Bi0.0543 Fe3 O12 Y0.9457 -","- B12 Bi0.1629 Fe9 O36 Y2.8371 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0253","0.0194","","","0.0136","0.014","","","","1.04","1.04","0.97","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108229","9.5282","0.0001","9.5282","0.0001","7.5609","0.0001","90","","90","","120","","594.464","0.012","380","","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.047 Fe3 O12 Y0.953 -","- B4 Bi0.047 Fe3 O12 Y0.953 -","- B12 Bi0.141 Fe9 O36 Y2.859 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.012","0.012","","","0.0173","0.0173","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108230","9.5254","0.0001","9.5254","0.0001","7.5674","0.0001","90","","90","","120","","594.626","0.012","500","","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.042 Fe3 O12 Y0.958 -","- B4 Bi0.042 Fe3 O12 Y0.958 -","- B12 Bi0.126 Fe9 O36 Y2.874 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0102","0.0102","","","0.0163","0.0163","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108506","9.5351","0.0001","9.5351","0.0001","7.5633","0.0001","90","","90","","120","","595.515","0.012","364.8","0.6","365","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.02","0.02","","","0.0499","0.0499","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108507","9.5349","0.0002","9.5349","0.0002","7.5641","0.0001","90","","90","","120","","595.553","0.019","370","0.1","370","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0155","0.0155","","","0.039","0.039","","","","0.99","0.99","0.99","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108508","9.5359","0.0002","9.5359","0.0002","7.5659","0.0002","90","","90","","120","","595.82","0.02","379.99","0.1","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0208","0.0208","","","0.055","0.055","","","","1","1","1","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108509","9.5364","0.0002","9.5364","0.0002","7.5677","0.0002","90","","90","","120","","596.02","0.02","389.99","0.1","390","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0211","0.0211","","","0.0578","0.0578","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108510","9.5394","0.0002","9.5394","0.0002","7.5693","0.0001","90","","90","","120","","596.525","0.019","500","0.1","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.037 Fe3 Ho0.963 O12 -","- B4 Bi0.0373 Fe3 Ho0.9627 O12 -","- B12 Bi0.1119 Fe9 Ho2.8881 O36 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.","Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619010473","","x-ray","0.71073","MoKα","","0.0231","0.0231","","","0.0637","0.0637","","","","0.99","0.99","0.99","","","","has coordinates,has Fobs","220587","2020-10-21","18:00:00",""
"2108989","9.5638","0.0001","9.5638","0.0001","7.579","0.0001","90","","90","","120","","600.349","0.012","90","0.1","90","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0296","0.0296","","","","1.08","1.08","1.08","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:33",""
"2108990","9.5635","0.0001","9.5635","0.0001","7.5823","0.0001","90","","90","","120","","600.572","0.012","199.99","0.19","199.99","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0113","0.0113","","","0.0303","0.0303","","","","1.04","1.04","1.04","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2108991","9.5642","0.0001","9.5642","0.0001","7.5883","0.0001","90","","90","","120","","601.136","0.012","293","0.11","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0122","0.0122","","","0.0321","0.0321","","","","1.04","1.04","1.04","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2108992","9.565","0.0001","9.565","0.0001","7.5972","0.0001","90","","90","","120","","601.941","0.012","399.97","0.16","399.97","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0123","0.0122","","","0.0293","0.0294","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2108993","9.5665","0.0001","9.5665","0.0001","7.5911","0.0001","90","","90","","120","","601.647","0.012","293","","293","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B4 Fe3 O12 Sm -","- B4 Fe3 O12 Sm -","- B12 Fe9 O36 Sm3 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0091","0.0091","","","0.0263","0.0263","","","","1.02","1.02","1.02","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2201996","19.327","0.003","19.327","0.003","10.052","0.002","90","","90","","120","","3251.7","1","213","2","213","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","[H~2~cyclenPO][I]","1,7-Dihydro-1,4,7,10-tetraazacyclododecanephosphine oxide iodide","","- C8 H18 I N4 O P -","- C8 H18 I1.00333 N4 O P -","- C72 H162 I9.03 N36 O9 P9 -","9","0.5","FL6031","Twamley, Brendan; Gupta, O. D.; Shreeve, Jean'ne M.","1,7-Dihydro-1,4,7,10-tetraazacyclododecanephosphine oxide iodide","Acta Crystallographica Section E","2003","59","5","o734","o736","10.1107/S1600536803008936","","","0.71073","MoKα","","0.0498","0.0465","","","0.1147","0.1165","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209929","14.537","0.002","14.537","0.002","13.125","0.004","90","","90","","120","","2402","0.9","293","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C30 H30 N14 Ni O6 -","- C30 H30 N14 Ni O6 -","- C90 H90 N42 Ni3 O18 -","3","0.166667","LH2115","Min, Shi Jing; Na, Chen Ju; Dong, Liu Lian","Tris(3,3'-diamino-2,2'-bipyridine)nickel(II) dinitrate","Acta Crystallographica Section E","2006","62","8","m1810","m1811","10.1107/S1600536806026304","","","0.71073","MoKα","","0.0758","0.0611","","","0.0943","0.099","","","","","","1.117","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210183","14.8206","0.0015","14.8206","0.0015","13.248","0.003","90","","90","","120","","2520.1","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(3,3'-diamino-2,2'-bipyridine)cadmium(II) dinitrate","","- C30 H30 Cd N14 O6 -","- C30 H30 Cd N14 O6 -","- C90 H90 Cd3 N42 O18 -","3","0.166667","CV2080","Shi, Jing-Min; Chen, Ju-Na; Liu, Lian-Dong","Tris(3,3'-diamino-2,2'-bipyridine)cadmium(II) dinitrate","Acta Crystallographica Section E","2006","62","9","m2094","m2095","10.1107/S1600536806030625","","","0.71073","MoKα","","0.0235","0.0234","","","0.0594","0.0595","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210279","14.7149","0.0016","14.7149","0.0016","13.229","0.003","90","","90","","120","","2480.7","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(3,3'-diamino-2,2'-bipyridine)manganese(II) dinitrate","","- C30 H30 Mn N14 O6 -","- C30 H30 Mn N14 O6 -","- C90 H90 Mn3 N42 O18 -","3","0.166667","HK2090","Shi, Jing-Min; Chen, Ju-Na; Liu, Lian-Dong","Tris(3,3'-diamino-2,2'-bipyridine)manganese(II) dinitrate","Acta Crystallographica Section E","2006","62","9","m2151","m2152","10.1107/S1600536806031114","","","0.71073","MoKα","","0.0423","0.0375","","","0.087","0.0891","","","","","","1.114","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211293","14.731","0.002","14.731","","16.043","0.003","90","","90","","120","","3015","0.7","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C33 H45 Cl3 Gd N11 O3 -","- C33 H45 Cl3 Gd N11 O3 -","- C99 H135 Cl9 Gd3 N33 O9 -","3","0.166667","BI2091","Hu, Xue-Lei; Qiu, Li; Sun, Wen-Bing; Ng, Seik Weng","[1,4,12,15,18,26,31,39,42,43,44-Undecaazapentacyclo[13.13.13.1^6,10^.1^20,24^.1^33,37^]tetratetraconta-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(42),38-pentadecaene-κ^9^<i>N</i>^4^,<i>N</i>^11^,<i>N</i>^18^,<i>N</i>^26^,<i>N</i>^31^,<i>N</i>^39^,<i>N</i>^42^,<i>N</i>^43^,<i>N</i>^44^]gadolinium(III) trichloride trihydrate","Acta Crystallographica Section E","2006","62","12","m3351","m3353","10.1107/S1600536806047477","","","0.71073","MoKα","","0.0362","0.0362","","","0.1033","0.1033","","","","","","1.091","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216041","14.6116","0.0019","14.6116","0.0019","13.199","0.004","90","","90","","120","","2440.4","0.9","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(3,3'-diamino-2,2'-bipyridine)zinc(II) bis(nitrate)","","- C30 H30 N14 O6 Zn -","- C30 H30 N14 O6 Zn -","- C90 H90 N42 O18 Zn3 -","3","0.166667","LH2515","Wu, Chang-Ju; Chen, Ju-Na; Shi, Jing-Min","Tris(3,3'-diamino-2,2'-bipyridine)zinc(II) dinitrate","Acta Crystallographica Section E","2007","63","11","m2668","m2668","10.1107/S1600536807048192","","","0.71073","MoKα","","0.0422","0.0382","","","0.0798","0.0813","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2223842","8.473","0.0003","8.473","0.0003","28.22","0.003","90","","90","","120","","1754.5","0.2","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium perchlorate","","- C18 H36 Cl N2 Na O10 -","- C18 H36 Cl N2 Na O10 -","- C54 H108 Cl3 N6 Na3 O30 -","3","0.166667","HK2757","Guzei, Ilia A.; Su, Joe W.; Spencer, Lara C.; Burnette, Ronald R.","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium perchlorate","Acta Crystallographica Section E","2009","65","11","m1381","m1382","10.1107/S1600536809039683","","","0.71073","Mo-Kα","","0.039","0.0367","","","0.1088","0.1126","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2242846","8.481","0.001","8.481","0.001","27.05","0.005","90","","90","","120","","1685","0.4","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","caesium gallium bis(hydrogen arsenate)","Caesium gallium bis[hydrogen arsenate(V)]","","- As2 Cs Ga H2 O8 -","- As2.0002 Cs Ga H2 O8.0006 -","- As18.0018 Cs9 Ga9 H18 O72.0054 -","9","0.5","VN2142","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(HAsO~4~)~2~, the first Ga representative of the RbAl(HAsO~4~)~2~ structure type","Acta Crystallographica Section E","2019","75","3","346","349","10.1107/S2056989019002081","","","0.71073","MoKα","","0.0225","0.0194","","","0.0409","0.0418","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","213580","2020-10-21","18:00:00",""
"2243276","9.2992","0.0008","9.2992","0.0008","7.2588","0.0007","90","","90","","120","","543.61","0.08","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Terbium trialuminium tetrakis(borate)","","- Al3 B4 O12 Tb -","- Al3 B4 O12 Tb -","- Al9 B12 O36 Tb3 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0197","0.0197","","0.0212","","0.0212","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243277","9.2938","0.0005","9.2938","0.0005","7.2348","0.0004","90","","90","","120","","541.18","0.05","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Dysprosium trialuminium tetrakis(borate)","","- Al3 B4 Dy O12 -","- Al3 B4 Dy O12 -","- Al9 B12 Dy3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.008","0.0101","","0.008","","0.0101","","","1.14","","","1.14","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2243278","9.2832","0.0003","9.2832","0.0003","7.2345","0.0003","90","","90","","120","","539.93","0.03","100","","100","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Holmium trialuminium tetrakis(borate)","","- Al3 B4 Ho O12 -","- Al3 B4 Ho O12 -","- Al9 B12 Ho3 O36 -","3","0.166667","RU2069","Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N.","Crystal structures and comparisons of huntite alumnium borates <i>RE</i>Al~3~(BO~3~)~4~ (<i>RE</i> = Tb, Dy and Ho)","Acta Crystallographica Section E","2020","76","3","339","343","10.1107/S2056989020001802","","","0.71075","MoKα","","0.0115","0.0115","","0.0149","","0.0149","","","1.08","","","1.08","","","","has coordinates,has Fobs","248205","2020-10-21","18:00:00",""
"2311018","15.94","","15.94","","12.38","","90","","90","","120","","2724.13","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","(N H4)6 (Mn Mo9 O32) (H2 O)8","","- Mn Mo3 -","- Mn Mo3 -","- Mn3 Mo9 -","3","0.166667","","Waugh, J.L.T.; Shoemaker, D.P.; Pauling, L.","On the structure of the heteropoly anion in ammonium 9-molybdomanganate, (N H4)6 Mn Mo9 O32 (H2 O)8","Acta Crystallographica (1,1948-23,1967)","1954","7","","438","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000030","9.5425","0.0002","9.5425","0.0002","7.5594","0.0005","90","","90","","120","","596.13","0.04","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","","","","","- B4 Dy Fe3 O12 -","","","","","","Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura","Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4","To be published","","","","","","","","","0.51898","","","0.0185","0.0185","","","0.048","0.048","","","","","","1.087","","","","","288249","2023-12-12","13:17:54","2014-04-19"
"4000502","9.7739","0.001","9.7739","0.001","7.9456","0.0014","90","","90","","120","","657.34","0.15","298","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 La0.72 O12 Sc2.71 Y0.57 -","- B4 La0.72 O12 Sc2.7099 Y0.5701 -","- B12 La2.16 O36 Sc8.1297 Y1.7103 -","3","0.166667","","Ye, Ning; Stone-Sundberg, Jennifer L.; Hruschka, Michael A.; Aka, Gerard; Kong, Wei; Keszler, Douglas A.","Nonlinear Optical Crystal Y~x~La~y~Sc~z~(BO~3~)~4~ (x + y + z = 4)","Chemistry of Materials","2005","17","10","2687","2692","10.1021/cm050090c","","","0.71069","MoKα","","","0.0296","","","","0.0815","","","","","","1.081","","","","has coordinates","178239","2020-10-21","18:00:00",""
"4001741","6.6357","","6.6357","","26.706","","90","","90","","120","","1018.39","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Gd (B O3)","","- B Gd O3 -","- B Gd O3 -","- B18 Gd18 O54 -","18","1","","Ren, M.; Su, M.Z.; Dong, Y.; You, L.P.; Yang, L.Q.; Lin, J.-H.","Structure and phase transformation of Gd B O3","Chemistry of Materials (1,1989-)","1999","11","","1576","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001750","9.563","","9.563","","7.575","","90","","90","","120","","599.931","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(Y0.5 Bi0.5) Fe3 (B O3)4","","- B4 Bi0.5 Fe3 O12 Y0.5 -","- B4 Bi0.5 Fe3 O12 Y0.5 -","- B12 Bi1.5 Fe9 O36 Y1.5 -","3","0.166667","","Cascales, C.; Monge, M.A.; Ruiz-Valero, C.; Gutierrez-Puebla, E.; Campa, J.A.; Rasines, I.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001752","9.592","","9.592","","7.597","","90","","90","","120","","605.328","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","La Fe3 (B O3)4","","- B4 Fe3 La O12 -","- B4 Fe3 La O12 -","- B12 Fe9 La3 O36 -","3","0.166667","","Campa, J.A.; Rasines, I.; Cascales, C.; Ruiz-Valero, C.; Monge, M.A.; Gutierrez-Puebla, E.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001753","9.578","","9.578","","7.605","","90","","90","","120","","604.198","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Nd Fe3 (B O3)4","","- B4 Fe3 Nd O12 -","- B4 Fe3 Nd O12 -","- B12 Fe9 Nd3 O36 -","3","0.166667","","Monge, M.A.; Rasines, I.; Gutierrez-Puebla, E.; Ruiz-Valero, C.; Cascales, C.; Campa, J.A.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002730","14.1","0.007","14.1","0.007","17.01","0.006","90","","90","","120","","2929","2","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","NaGaIn2Se5","","","- Ga2 In4 Na2 Se10 -","- Ga2.01 In3.99 Na2 Se10 -","- Ga12.06 In23.94 Na12 Se60 -","6","0.333333","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0195","0.0161","","","0.0307","0.0313","","","","","","0.961","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4003159","28.32","0.005","28.32","0.005","12.835","0.003","90","","90","","120","","8915","3","298","","298","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C26 H15 La N O18.39 -","- C26.0001 H14.0001 La N0.9999 O18.3928 -","- C234.001 H126.001 La9 N8.9991 O165.535 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","0.827107","Synchrotron","","","","","","","","","0.0097","1.065","","","","","","","has coordinates","231400","2020-10-21","18:00:00",""
"4003160","24.1843","0.0005","24.1843","0.0005","13.0217","0.0005","90","","90","","120","","6595.8","0.3","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0608","0.0432","","","0.0797","0.0842","","","","","","1.004","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003161","24.2009","0.0007","24.2009","0.0007","12.9648","0.0006","90","","90","","120","","6576","0.4","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H14 La N O9 -","- C21 H14 La N O9 -","- C189 H126 La9 N9 O81 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0578","0.0472","","","0.0979","0.1022","","","","","","1.047","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003162","24.197","0.0006","24.197","0.0006","13.1426","0.0004","90","","90","","120","","6664","0.3","323","2","323","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0582","0.0445","","","0.0928","0.0985","","","","","","1.022","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003163","24.2447","0.0008","24.2447","0.0008","13.1705","0.0008","90","","90","","120","","6704.5","0.5","373","2","373","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.073","0.0479","","","0.1069","0.1166","","","","","","0.976","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003164","24.2372","0.0012","24.2372","0.0012","13.2135","0.0011","90","","90","","120","","6722.2","0.7","423","2","423","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1015","0.0591","","","0.0851","0.094","","","","","","0.979","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003165","24.313","0.002","24.313","0.002","13.184","0.002","90","","90","","120","","6749.2","1.3","473","2","473","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1352","0.0695","","","0.1387","0.1554","","","","","","1.026","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003166","24.25","0.009","24.25","0.009","13.093","0.012","90","","90","","120","","6668","7","500","2","500","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O6 -","- C21 H12 La N O6 -","- C189 H108 La9 N9 O54 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.2265","0.0833","","","0.1168","0.1382","","","","","","0.916","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003167","24.1719","0.0012","24.1719","0.0012","13.011","0.0012","90","","90","","120","","6583.6","0.8","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0911","0.0648","","","0.1059","0.1148","","","","","","0.99","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003168","24.188","0.0009","24.188","0.0009","13.1489","0.0011","90","","90","","120","","6662.2","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 Ce N O7 -","- C21 H12 Ce N O7 -","- C189 H108 Ce9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0668","0.0513","","","0.1102","0.1179","","","","","","1.036","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003169","35.242","0.0019","35.242","0.0019","13.493","0.005","90","","90","","120","","14513","5","298","","298","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C33 H15 Eu O20.9 -","- C33 H15 Eu O20.9098 -","- C297 H135 Eu9 O188.188 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0092","1.581","","","","","","","has coordinates","231402","2020-10-21","18:00:00",""
"4003325","4.982","0.003","4.982","0.003","29.2","0.03","90","","90","","120","","627.7","0.8","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 O3 Rb Zn2 -","- B Br2 O3 Rb Zn2 -","- B3 Br6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0597","0.0546","","","0.1234","0.1262","","","","","","1.079","","","","has coordinates","231518","2020-10-21","18:00:00",""
"4003326","4.9618","0.0006","4.9618","0.0006","28.199","0.007","90","","90","","120","","601.23","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 K O3 Zn2 -","- B Br2 K O3 Zn2 -","- B3 Br6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0322","0.0302","","","0.0591","0.0596","","","","","","0.984","","","","has coordinates","231519","2020-10-21","18:00:00",""
"4003327","4.952","0.006","4.952","0.006","27.05","0.05","90","","90","","120","","574.5","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B Cl2 H4 N O3 Zn2 -","- B Cl2 N O3 Zn2 -","- B3 Cl6 N3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.046","0.0449","","","0.1012","0.1016","","","","","","1.05","","","","has coordinates","231520","2020-10-21","18:00:00",""
"4003328","4.9624","0.0006","4.9624","0.0006","26.386","0.005","90","","90","","120","","562.71","0.14","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 K O3 Zn2 -","- B Cl2 K O3 Zn2 -","- B3 Cl6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0215","0.0197","","","0.0389","0.0394","","","","","","1.034","","","","has coordinates","231521","2020-10-21","18:00:00",""
"4003329","4.9611","0.0005","4.9611","0.0005","27.221","0.006","90","","90","","120","","580.22","0.15","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 O3 Rb Zn2 -","- B Cl2 O3 Rb Zn2 -","- B3 Cl6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0506","0.0472","","","0.124","0.1258","","","","","","1.035","","","","has coordinates","231522","2020-10-21","18:00:00",""
"4003891","12.9567","0.0001","12.9567","0.0001","111.713","0.0014","90","","90","","120","","16241.4","0.3","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Bi2.5 Cl54 Rb23 Sb6.5 -","- Bi2.4955 Cl53.9991 Rb22.9997 Sb6.5045 -","- Bi14.973 Cl323.995 Rb137.998 Sb39.027 -","6","0.333333","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0808","0.0582","","","0.1029","0.1111","","","","","","1.095","","","","has coordinates,has disorder","263262","2021-03-23","23:18:12",""
"4003894","12.9752","0.0006","12.9752","0.0006","112.438","0.007","90","","90","","120","","16393.5","1.5","298","","298","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Bi6.62 Cl54 Rb23 Sb2.38 -","- Bi6.623 Cl53.9991 Rb22.9997 Sb2.377 -","- Bi39.738 Cl323.995 Rb137.998 Sb14.262 -","6","0.333333","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","","0.71073","MoKα","","0.1204","0.0864","","","0.2231","0.2438","","","","","","1.072","","","","has coordinates,has disorder","263265","2021-03-23","23:19:36",""
"4026266","27.0758","0.0004","27.0758","0.0004","26.8021","0.0005","90","","90","","120","","17016.2","0.5","173","2","173","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C61.33 H91 Cu2 N15.67 O8 -","- C46 H68 Cu2 N8 O8 -","- C414 H612 Cu18 N72 O72 -","9","0.5","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.0407","0.0343","","","0.0747","0.0767","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4034315","22.199","0.006","22.199","0.006","18.664","0.006","90","","90","","120","","7965","4","200","2","200","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C75 H90 Cd6 Cl12 N18 O9 -","- C75 H84 Cd6 Cl12 N18 O9 -","- C225 H252 Cd18 Cl36 N54 O27 -","3","0.166667","","Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz","Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane.","The Journal of organic chemistry","2019","84","9","5695","5711","10.1021/acs.joc.9b00614","","","0.71073","MoKα","","0.1119","0.0696","","","0.1898","0.2132","","","","","","1.055","","","","has coordinates,has disorder","222857","2020-10-21","18:00:00",""
"4061589","20.67","0.05","20.67","0.05","29.81","0.11","90","","90","","120","","11035","57","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C30 H62 B20 Ni Rh2 S4 -","- C30 H62 B20 Ni Rh2 S4 -","- C270 H558 B180 Ni9 Rh18 S36 -","9","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4061590","20.882","0.002","20.882","0.002","30.075","0.005","90","","90","","120","","11357","2","298","2","298","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C30 H62 B20 Ni Rh2 Se4 -","- C30 H62 B20 Ni Rh2 Se4 -","- C270 H558 B180 Ni9 Rh18 Se36 -","9","0.5","","Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin","Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","17","4226","4231","10.1021/om0503949","","","","","","","","","","","","","","","","","","","","","has coordinates","209000","2020-10-21","18:00:00",""
"4076216","16.29","0.002","16.29","0.002","11.578","0.002","90","","90","","120","","2660.8","0.7","253","2","253","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C18 H54 Si6 Sn2 -","- C18 H54 Si6 Sn2 -","- C54 H162 Si18 Sn6 -","3","0.166667","","Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich","Structural Aspects of Trimethylsilylated Branched Group 14 Compounds","Organometallics","2005","24","26","6450","","10.1021/om050835o","","","0.71073","MoKα","","0.0356","0.0345","","","0.0934","0.0939","","","","","","1.166","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4103409","29.6688","0.0005","29.6688","0.0005","72.7125","0.0011","90","","90","","120","","55429.3","1.6","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C192 Cl6 Mn6 N12 O38 Zn8 -","- C192 Cl6 Mn6 N12 O38 Zn8 -","- C1152 Cl36 Mn36 N72 O228 Zn48 -","6","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.2226","0.1484","","","0.376","0.4163","","","","","","1.19","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103411","35.8652","0.0019","35.8652","0.0019","87.761","0.008","90","","90","","120","","97764","12","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C204 Cl6 Mn6 N12 O38 Zn8 -","- C1224 Cl36 Mn36 N72 O228 Zn48 -","6","0.333333","","Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin","Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes","Journal of the American Chemical Society","2010","132","","15390","15398","10.1021/ja1069773","","","1.54178","CuKα","","0.1908","0.1271","","","0.2776","0.3102","","","","","","1.149","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4104746","23.6519","0.0003","23.6519","0.0003","39.4914","0.001","90","","90","","120","","19132.2","0.6","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C31.5 H40.83 Ag F N3 O5.83 P0.17 -","- C31.5 H40.83 Ag F N3 O5.83 P0.166667 -","- C567 H734.94 Ag18 F18 N54 O104.94 P3 -","18","1","","Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui","Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","10452","10460","10.1021/ja901154p","","","1.54178","CuKα","","0.0542","0.0521","","","0.1502","0.1535","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105205","34.444","0.003","34.444","0.003","46.286","0.006","90","","90","","120","","47556","9","200","2","200","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Na7[(V=O)7Na7(H2O)7(b-CD)2].65H2O (1)","","- C84 H256 Na14 O149 V7 -","- C84 H112 Na7 O84 V7 -","- C756 H1008 Na63 O756 V63 -","9","0.5","","Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio","Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins","Journal of the American Chemical Society","2009","131","","15100","15101","10.1021/ja9066496","","","0.71073","MoKα","","0.104","0.0709","","","0.1761","0.1912","","","","","","0.924","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4106955","30.128","0.005","30.128","0.005","20.746","0.004","90","","90","","120","","16308","5","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C120 H84 Cl0 F12 N13 -","- C120 H84 F12 N12.99 -","- C720 H504 F72 N77.94 -","6","0.333333","","Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper","Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages","Journal of the American Chemical Society","2011","133","","16566","16571","10.1021/ja2056374","","","0.71073","MoKα","","0.1161","0.0535","","","0.1076","0.1347","","","","","","1.027","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107280","30.9179","0.001","30.9179","0.001","35.2839","0.0015","90","","90","","120","","29209.7","1.8","123","2","123","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C41 H74 F3 N9 O14 -","- C27 H44 N9 O9 -","- C486 H792 N162 O162 -","18","1","","Petra Rzepecki; Katrin Hochdörffer; Torsten Schaller; Jan Zienau; Klaus Harms; Christian Ochsenfeld; Xiulan Xie; Thomas Schrader","Hierarchical Self-Assembly of Aminopyrazole Peptides into Nanorosettes in Water","Journal of the American Chemical Society","2008","130","","586","591","10.1021/ja0744807","","","0.71073","MoKα","","0.0791","0.0434","","","0.0922","0.1001","","","","","","0.752","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4108592","32.104","0.005","32.104","0.005","46.061","0.009","90","","90","","120","","41113","12","173","2","173","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","3","","","- C238 H273 Cl6 Cu6 N35 O54.5 S6 -","- C237.99 H272.94 Cl5.995 Cu6 N34.995 O54.48 S6 -","- C1427.94 H1637.64 Cl35.97 Cu36 N209.97 O326.88 S36 -","6","0.333333","","Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray","Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry","Journal of the American Chemical Society","2008","130","","14366","14367","10.1021/ja804863u","","","0.7107","MoKα","","0.1589","0.1181","","","0.2549","0.2769","","","","","","1.12","","4108627","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108627","32.104","0.005","32.104","0.005","46.061","0.009","90","","90","","120","","41113","12","173","2","173","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","4","","","- C238 H273 Cl6 Cu6 N35 O54.5 S6 -","- C237.99 H272.94 Cl5.995 Cu6 N34.995 O53.97 S6 -","- C1427.94 H1637.64 Cl35.97 Cu36 N209.97 O323.82 S36 -","6","0.333333","","Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray","Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry","Journal of the American Chemical Society","2008","130","","14366","14367","10.1021/ja804863u","","","0.7107","MoKα","","0.1328","0.0854","","","0.2184","0.26","","","","","","1.042","","","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4109786","15.646","0.0004","15.646","0.0004","12.5656","0.0007","90","","90","","120","","2663.92","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H26 Mn Mo9 O45 Zn3 -","- Mn Mo9 O45 Zn3 -","- Mn3 Mo27 O135 Zn9 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0487","0.0469","","","0.1383","0.1406","","","","","","1.063","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109787","15.6562","0.0004","15.6562","0.0004","12.5757","0.0007","90","","90","","120","","2669.53","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H26 Mn Mo9 O45 Zn3 -","- Mn Mo9 O45 Zn3 -","- Mn3 Mo27 O135 Zn9 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0504","0.0477","","","0.1394","0.1427","","","","","","1.063","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109788","15.957","0.002","15.957","0.002","12.415","0.003","90","","90","","120","","2737.7","0.8","150","2","150","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H36 Mn Mo9 N6 O38 -","- Mn Mo9 N6 O38 -","- Mn3 Mo27 N18 O114 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0211","0.0196","","","0.0517","0.0528","","","","","","1.054","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109789","15.802","0.002","15.802","0.002","12.404","0.003","90","","90","","120","","2682.4","0.8","150","2","150","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- H30 K3 Mn Mo9 N3 O41 -","- K3 Mn Mo9 N3 O41 -","- K9 Mn3 Mo27 N9 O123 -","3","0.166667","","Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su","Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds","Journal of the American Chemical Society","2007","129","","10066","10067","10.1021/ja073153w","","","0.71073","MoKα","","0.0294","0.0288","","","0.0841","0.0848","","","","","","1.13","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4111938","28.5344","0.0008","28.5344","0.0008","12.2148","0.0005","90","","90","","120","","8613","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","Tb(BTB)(H2O), 2(C6H11OH)","aqua-Terbium(III) trisbenzoate, cyclohexanol solvate","","- C39 H39 O9 Tb -","- C39 H39 O9 Tb -","- C351 H351 O81 Tb9 -","9","0.5","","Thomas Devic; Christian Serre; Nathalie Audebrand; Jérôme Marrot; Gérard Férey","MIL-103, A 3-D Lanthanide-Based Metal Organic Framework with Large One-Dimensional Tunnels and A High Surface Area","Journal of the American Chemical Society","2005","127","","12788","12789","10.1021/ja053992n","","","0.71073","MoKα","","0.0628","0.0427","","","0.1033","0.1288","","","","","","1.11","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4116623","19.173","0.003","19.173","0.003","17.416","0.004","90","","90","","120","","5544.5","1.8","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H61 Cd3 Cl2 N9 O15 -","- C72 H61 Cd3 Cl1.98 N9 O14.92 -","- C216 H183 Cd9 Cl5.94 N27 O44.76 -","3","0.166667","","Wenbin Lin; Zhiyong Wang; Ling Ma","A Novel Octupolar Metal-Organic NLO Material Based on a Chiral 2D Coordination Network","Journal of the American Chemical Society","1999","121","","11249","11250","10.1021/ja9928327","","","0.71073","MoKα","","0.0493","0.0266","","","0.0596","0.0651","","","","","","0.976","","","","has coordinates,has disorder","178937","2020-10-21","18:00:00",""
"4118952","21.4198","0.0008","21.4198","0.0008","17.4178","0.0008","90","","90","","120","","6920.8","0.5","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Co Cr N4 O4 -","- C24 H20 Co Cr N4 O4 -","- C216 H180 Co9 Cr9 N36 O36 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0589","0.0488","","","0.1197","0.1257","","","","","","1.047","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118953","21.1759","0.0003","21.1759","0.0003","17.4734","0.0003","90","","90","","120","","6785.66","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Cr N4 Ni O9.17 -","- C24 H20 Cr N4 Ni O9.17333 -","- C216 H180 Cr9 N36 Ni9 O82.56 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0348","0.0327","","","0.0883","0.0891","","","","","","1.083","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118954","21.3191","0.0003","21.3191","0.0003","17.925","0.0003","90","","90","","120","","7055.5","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C25.33 H20 Co Mo N4.67 O9.36 -","- C25.32 H20 Co Mo N4.66667 O9.359 -","- C227.88 H180 Co9 Mo9 N42 O84.231 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0251","0.0241","","","0.0573","0.0577","","","","","","1.024","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118955","21.0856","0.0009","21.0856","0.0009","17.9678","0.0008","90","","90","","120","","6918.3","0.5","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C26 H20 Mo N5 Ni O7.58 -","- C25.9867 H20 Mo N5 Ni O7.57 -","- C233.88 H180 Mo9 N45 Ni9 O68.13 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","0.41328","synchrotron","","0.0323","0.0322","","","0.0869","0.087","","","","","","1.034","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4121022","21.5456","0.0007","21.5456","0.0007","68.438","0.002","90","","90","","120","","27513.5","1.5","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C942 H828 Ag12 Au36 B24 F96 N72 P36 -","6","0.333333","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.1391","0.084","","","0.2254","0.2796","","","","","","1.117","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121023","21.5216","0.0014","21.5216","0.0014","68.567","0.004","90","","90","","120","","27504","3","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C942 H828 Ag12 Au36 B24 F96 N72 P36 -","6","0.333333","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.1231","0.0901","","","0.2504","0.2833","","","","","","1.153","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121437","35.408","0.005","35.408","0.005","45.801","0.009","90","","90","","120","","49729","14","180","2","180","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C184 H152 Ag8 B8 F32 N32 -","- C184 H152 Ag8 B4.66667 F18.6667 N32 -","- C1656 H1368 Ag72 B42 F168 N288 -","9","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.0712","0.0569","","","0.1441","0.1541","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123969","9.6517","","9.6517","","13.048","","90","","90","","120","","1052.65","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Sr6 Rh5 O15","","- O15 Rh5 Sr6 -","- O15 Rh5 Sr6 -","- O45 Rh15 Sr18 -","3","0.166667","","Stitzer, K.E.; Darriet, J.; El Abed, A.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147931","2020-10-21","18:00:00",""
"4126811","13.0208","0.0014","13.0208","0.0014","15.297","0.003","90","","90","","120","","2246","0.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Lu2 O30 Sr -","- B15 K7 Lu2 O30 Sr -","- B45 K21 Lu6 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0211","0.0205","","","0.0587","0.059","","","","","","1.095","","","","has coordinates","204041","2020-10-21","18:00:00",""
"4126812","13.1142","0.0018","13.1142","0.0018","15.319","0.004","90","","90","","120","","2281.6","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 O30 Sr Y2 -","- B15 K7 O30 Sr Y2 -","- B45 K21 O90 Sr3 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0323","0.0265","","","0.0575","0.0598","","","","","","0.961","","","","has coordinates","204042","2020-10-21","18:00:00",""
"4126813","13.331","0.002","13.331","0.002","14.91","0.005","90","","90","","120","","2294.7","0.9","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Bi2 K7 O30 Pb -","- B15 Bi2 K7 O30 Pb -","- B45 Bi6 K21 O90 Pb3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0435","0.0426","","","0.1182","0.1194","","","","","","1.134","","","","has coordinates","204043","2020-10-21","18:00:00",""
"4126814","13.142","0.002","13.142","0.002","15.099","0.005","90","","90","","120","","2258.4","0.9","296","2","296.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B15 K7.5 O30 Y2.5 -","- B15 K7.5 O30 Y2.5 -","- B45 K22.5 O90 Y7.5 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0546","0.0391","","","0.0849","0.0914","","","","","","1.0162","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126815","13.2182","0.0018","13.2182","0.0018","14.949","0.004","90","","90","","120","","2262","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca K7 O30 Y2 -","- B15 Ca K7 O30 Y2 -","- B45 Ca3 K21 O90 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.027","0.0235","","","0.0475","0.0486","","","","","","0.941","","","","has coordinates","204045","2020-10-21","18:00:00",""
"4126816","12.9705","0.0015","12.9705","0.0015","15.651","0.004","90","","90","","120","","2280.3","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K7 Lu2 O30 -","- B15 Ba K7 Lu2 O30 -","- B45 Ba3 K21 Lu6 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0365","0.0351","","","0.0938","0.0947","","","","","","1.112","","","","has coordinates","204046","2020-10-21","18:00:00",""
"4126817","13.2512","0.0019","13.2512","0.0019","15.288","0.004","90","","90","","120","","2324.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Bi2 K7 O30 Sr -","- B15 Bi2 K7 O30 Sr -","- B45 Bi6 K21 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0217","0.0195","","","0.0437","0.0448","","","","","","1.068","","","","has coordinates","204047","2020-10-21","18:00:00",""
"4126818","13.1433","0.001","13.1433","0.001","14.905","0.002","90","","90","","120","","2229.8","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca K7 Lu2 O30 -","- B15 Ca K7 Lu2 O30 -","- B45 Ca3 K21 Lu6 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0221","0.0213","","","0.0569","0.0575","","","","","","1.096","","","","has coordinates","204048","2020-10-21","18:00:00",""
"4126819","13.265","0.006","13.265","0.008","15.282","0.014","90","","90","","120","","2329","3","296","2","296.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B15 Gd2.5 K7.5 O30 -","- B15 Gd2.5 K7.5 O30 -","- B45 Gd7.5 K22.5 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0223","0.0211","","","0.0437","0.0445","","","","","","1.0298","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4126820","13.31","0.004","13.31","0.004","15.005","0.008","90","","90","","120","","2302.1","1.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca Gd2 K7 O30 -","- B15 Ca Gd2 K7 O30 -","- B45 Ca3 Gd6 K21 O90 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0242","0.0238","","","0.0624","0.0627","","","","","","1.056","","","","has coordinates","204050","2020-10-21","18:00:00",""
"4126821","12.9884","0.0015","12.9884","0.0015","15.718","0.004","90","","90","","120","","2296.4","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ba K7 O30 Y2 -","- B15 Ba K7 O30 Y2 -","- B45 Ba3 K21 O90 Y6 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0549","0.0508","","","0.1367","0.14","","","","","","1.099","","","","has coordinates","204051","2020-10-21","18:00:00",""
"4126822","13.148","0.002","13.148","0.002","15.417","0.005","90","","90","","120","","2308.1","0.9","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Gd2 K7 O30 Sr -","- B15 Gd2 K7 O30 Sr -","- B45 Gd6 K21 O90 Sr3 -","3","0.166667","","Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie","Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11263","","","0.71073","MoKα","","0.0206","0.0192","","","0.0391","0.0396","","","","","","1.055","","","","has coordinates","204052","2020-10-21","18:00:00",""
"4130955","18.3847","0.0003","18.3847","0.0003","48.568","0.0011","90","","90","","120","","14216.5","0.5","120","2","120","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C29 H33 Cu N5 O7 -","- C19 H11 Cu N3 O5 -","- C342 H198 Cu18 N54 O90 -","18","1","","Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P.; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G. W.; Yan, Yong; Parker, Stewart F.; Manuel, Pascal; Lennox, Matthew J.; Mitra, Tamoghna; Easun, Timothy L.; Lewis, William; Blake, Alexander J.; Besley, Elena; Yang, Sihai; Schröder, Martin","Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","45","14828","14831","10.1021/jacs.6b08059","","x-ray","0.71073","MoKα","","0.0342","0.0328","","","0.0969","0.0985","","","","","","1.051","","","","has coordinates,has disorder","241282","2020-10-21","18:00:00",""
"4131521","43.069","0.003","43.069","0.003","27.998","0.003","90","","90","","120","","44977","7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K1.23 Li0.77 O40 -","- C48 H80 K1.233 Li0.767 O40 -","- C864 H1440 K22.194 Li13.806 O720 -","18","1","","Patel, Hasmukh A.; Islamoglu, Timur; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Samanta, Avik; Anamimoghadam, Ommid; Malliakas, Christos D.; Farha, Omar K.; Stoddart, J. Fraser","Noninvasive Substitution of K<sup>+</sup> Sites in Cyclodextrin Metal-Organic Frameworks by Li<sup>+</sup> Ions.","Journal of the American Chemical Society","2017","139","32","11020","11023","10.1021/jacs.7b06287","","","1.54178","CuKα","","0.1147","0.0998","","","0.2625","0.2791","","","","","","0.974","","","","has coordinates","241711","2020-10-21","18:00:00",""
"4133954","43.512","0.006","43.512","0.006","27.788","0.005","90","","90","","120","","45562","12","100","2","100.15","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C48 H80 K2 O40 -","- C48 H80 K2 O40 -","- C864 H1440 K36 O720 -","18","1","","Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser","Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks.","Journal of the American Chemical Society","2020","142","4","2042","2050","10.1021/jacs.9b12527","","","1.54178","CuKα","","0.0779","0.0665","","","0.1939","0.2115","","","","","","1.044","","","","has coordinates,has disorder","247525","2020-10-21","18:00:00",""
"4134951","30.5594","0.0014","30.5594","0.0014","25.331","0.003","90","","90","","120","","20487","3","173","","173","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C58 H38 I0 N0 O17 Zr3 -","- C58 H38 O17 Zr3 -","- C522 H342 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0845","0.0685","","","0.1814","0.204","","","","","","1.058","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4134952","30.654","0.004","30.654","0.004","24.9","0.007","90","","90","","120","","20263","7","173","","173","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C42 H30 O17 Zr3 -","- C42 H30 O17 Zr3 -","- C378 H270 O153 Zr27 -","9","0.5","","Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong","Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.","Journal of the American Chemical Society","2020","142","21","9642","9652","10.1021/jacs.0c00637","","","1.54178","CuKα","","0.0979","0.0543","","","0.1178","0.1356","","","","","","0.931","","","","has coordinates","252594","2020-10-21","18:00:00",""
"4135507","18.2062","0.0004","18.2062","0.0004","50.559","0.0019","90","","90","","120","","14513.4","0.7","100","0.1","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H48 N12 O50 Pb4 Zr9 -","- C72 H48 N12 O50 Pb4 Zr9 -","- C216 H144 N36 O150 Pb12 Zr27 -","3","0.166667","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","","1.54184","CuKα","","0.0813","0.0746","","","0.2156","0.2263","","","","","","1.071","","","","has coordinates,has disorder","261501","2021-02-04","03:31:08",""
"4306697","17.8687","0.0004","17.8687","0.0004","26.7725","0.001","90","","90","","120","","7403","0.4","150","2","150","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C106 H90 Cl3 N28 O12 Pr -","- C106 H77.94 Cl3 N28 O12 Pr -","- C318 H233.82 Cl9 N84 O36 Pr3 -","3","0.166667","","Ji-Jun Jiang; Sheng-Run Zheng; Yu Liu; Mei Pan; Wei Wang; Cheng-Yong Su","Self-Assembly of Triple Helical and meso-Helical Cylindrical Arrays Tunable by Bis-Tripodal Coordination Converters","Inorganic Chemistry","2008","47","","10692","10699","10.1021/ic801516b","","","0.71073","MoKα","","0.0768","0.0699","","","0.1753","0.183","","","","","","1.001","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4307414","18.1844","0.0018","18.1844","0.0018","22.747","0.002","90","","90","","120","","6514.1","1.1","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","Tris(N,N-dimethylformamide)(μ~3~-oxo) hexakis(μ~2~-trifluoroacetate)diiron(iii)iron(ii)","","- C21 H21 F18 Fe3 N3 O16 -","- C21 H21 F18 Fe3 N3 O16 -","- C126 H126 F108 Fe18 N18 O96 -","6","0.333333","","Fabio Marchetti; Fabio Marchetti; Bernardo Melai; Guido Pampaloni; Stefano Zacchini","Synthesis and Reactivity of Haloacetato Derivatives of Iron(II) Including the Crystal and the Molecular Structure of [Fe(CF3COOH)2(μ-CF3COO)2]n","Inorganic Chemistry","2007","46","","3378","3384","10.1021/ic061903h","","","0.71073","MoKα","","0.0975","0.0757","","","0.2065","0.2325","","","","","","1.041","","","","has coordinates,has disorder","179112","2020-10-21","18:00:00",""
"4311297","11.7867","","11.7867","0.0006","33.967","0.002","90","","90","0.002","120","0.007","4086.7","0.4","108.1","","","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C18 H30 B2 F8 Fe N10 O3 -","- C18 H24 B2 F7.5 Fe N10 O3 -","- C108 H144 B12 F45 Fe6 N60 O18 -","6","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.057","","","","0.123","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311298","11.9901","0.0005","11.99","0.001","35.553","0.002","90","","90","0.002","120","0.005","4426.4","0.5","293.1","","","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C18 H30 B2 F8 Fe N10 O3 -","- C18 H24 B2 F7.5 Fe N10 O3 -","- C108 H144 B12 F45 Fe6 N60 O18 -","6","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.072","","","","0.164","","","","","","0.887","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313306","15.9466","0.0002","15.9466","0.0002","25.4083","0.0005","90","","90","","120","","5595.55","0.15","173","2","173","2","","","","","","","synthetic","6","R 3 2 :H","R 3 2""","155","","","","- C48 H102 Cr2 I2 N24 Ni3 -","- C48 H30 Cr2 I6 N24 Ni3 -","- C144 H90 Cr6 I18 N72 Ni9 -","3","0.166667","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0493","0.041","","0.1059","0.1027","","","","1.117","1.177","1.177","","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4314552","12.1963","0.0011","12.1963","0.0011","40.064","0.004","90","","90","","120","","5161.1","0.8","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H39 Cl2 Fe2 N12 O11 -","- C24 H39 Cl1.995 Fe2 N12 O11.025 -","- C144 H234 Cl11.97 Fe12 N72 O66.15 -","6","0.333333","","Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri","Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N","Inorganic Chemistry","2010","49","","626","641","10.1021/ic9018426","","","0.71073","MoKα","","0.0849","0.0571","","","0.1117","0.1226","","","","","","1.036","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314558","12.156","0.002","12.156","0.002","39.878","0.006","90","","90","","120","","5103.2","1.4","100","2","100","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C24 H39 Cl2 Co Fe N12 O11 -","- C24 H39 Cl2 Co Fe N12 O10.98 -","- C144 H234 Cl12 Co6 Fe6 N72 O65.88 -","6","0.333333","","Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri","Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N","Inorganic Chemistry","2010","49","","626","641","10.1021/ic9018426","","","0.71073","MoKα","","0.0835","0.072","","","0.1881","0.1981","","","","","","1.086","","","","has coordinates,has disorder","179221","2020-10-21","18:00:00",""
"4320546","13.1465","0.0004","13.1465","0.0004","48.048","0.001","90","","90","","120","","7191.6","0.3","173.2","","173.2","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C9 H16 Au1.5 Cl0.5 Cu N5 O2 -","- C9 H16 Au1.25 Cl0.138667 Cu N5 O1.66667 -","- C162 H288 Au22.5 Cl2.496 Cu18 N90 O30 -","18","1","","Daniel B. Leznoff; Bao-Yu Xue; Raymond J. Batchelor; Frederick W. B. Einstein; Brian O. Patrick","Gold-Gold Interactions as Crystal Engineering Design Elements in Heterobimetallic Coordination Polymers","Inorganic Chemistry","2001","40","","6026","6034","10.1021/ic010756e","","","0.7107","MoKα","","0.0712","0.033","","0.0882","","0.04","","","0.802","","","0.802","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320845","16.5924","0.0002","16.5924","0.0002","21.7663","0.0005","90","","90","","120","","5189.6","0.15","100","1","100","1","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C66 H90 Li2 O12 S6 Zr -","- C66 H42 Li2 O12 S6 Zr -","- C198 H126 Li6 O36 S18 Zr3 -","3","0.166667","","Jan C. Friese; Arndt Krol; Carsten Puke; Kristin Kirschbaum; Dean M. Giolando","Trigonal Prismatic vs Octahedral Coordination Geometry: Syntheses and Structural Characterization of Hexakis(arylthiolato) Zirconate Complexes","Inorganic Chemistry","2000","39","","1496","1500","10.1021/ic991402e","","","0.71073","MoKα","","0.0734","0.0611","","0.1689","0.1579","","","","1.1","1.126","1.126","","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4327246","17.23","0.01","17.23","0.01","39.99","0.05","90","","90","","120","","10281","15","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C118 H240 N24 O44 S2 -","- C102 H162.12 N23 O29 S2 -","- C306 H486.36 N69 O87 S6 -","3","0.166667","","D. Amilan Jose; D. Krishna Kumar; Bishwajit Ganguly; Amitava Das","Rugby-Ball-Shaped Sulfate-Water-Sulfate Adduct Encapsulated in a Neutral Molecular Receptor Capsule","Inorganic Chemistry","2007","46","","5817","5819","10.1021/ic062466+","","","0.71073","MoKα","","0.0878","0.0624","","","0.1633","0.177","","","","","","0.923","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4332137","18.2047","0.0013","18.2047","0.0013","23.637","0.003","90","","90","","120","","6784.1","1.1","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H13 Ag3 N6 O40.5 P W12 -","- C12 H12 Ag3 N6 O40.5 P W12 -","- C72 H72 Ag18 N36 O243 P6 W72 -","6","0.333333","","Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer","Inorganic Chemistry","2006","45","10","4016","4023","10.1021/ic060004q","","","0.71073","MoKα","","0.0456","0.0442","","","0.1082","0.1092","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332537","9.459","0.004","9.459","0.004","34.558","0.014","90","","90","","120","","2677.7","1.9","123","2","123","2","","","","","","","synthesis as described","5","R 3 2 :H","R 3 2""","155","DCHEX","","","- C10 H9 Ag N4 O3 -","- C10 H9 Ag N4 O3 -","- C90 H81 Ag9 N36 O27 -","9","0.5","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine","Inorganic Chemistry","2006","45","19","7651","7664","10.1021/ic060487y","","x-ray","0.71069","MoKα","","0.0536","0.0492","","","0.1237","0.1291","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332821","6.2732","0.0008","6.2732","0.0008","14.681","0.002","90","","90","","120","","500.34","0.11","293","2","293","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","Luthetiumcarbodiimide","","","- C3 Lu2 N6 -","- C3 Lu2 N6 -","- C9 Lu6 N18 -","3","0.166667","","Neukirch, Michael; Tragl, Sonja; Meyer, H.-Jürgen","Syntheses and Structural Properties of Rare Earth Carbodiimides","Inorganic Chemistry","2006","45","20","8188","8193","10.1021/ic0608952","","","0.71073","MoKα","","0.0208","0.0199","","","0.0524","0.0526","","","","","","1.2","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332889","9.2741","0.0013","9.2741","0.0013","7.2184","0.0014","90","","90","","120","","537.67","0.15","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Al3 B4 O12 Tm -","- Al3 B4 O12 Tm -","- Al9 B12 O36 Tm3 -","3","0.166667","","Jia, Guohua; Tu, Chaoyang; Li, Jianfu; You, Zhenyu; Zhu, Zhaojie; Wu, Baichang","Crystal Structure, Judd−Ofelt Analysis, and Spectroscopic Assessment of a TmAl3(BO3)4Crystal as a New Potential Diode-Pumped Laser near 1.9 μm","Inorganic Chemistry","2006","45","23","9326","9331","10.1021/ic061025n","","","0.71073","MoKα","","0.0153","0.0153","","","0.0404","0.0404","","","","","","1.084","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4335556","22.086","0.002","22.086","0.002","20.661","0.002","90","","90","","120","","8728","1.4","120","","120","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 La3 N6 O28 -","- C54 H69.996 Cl9 Cu8 La3 N6 O28 -","- C162 H209.988 Cl27 Cu24 La9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0891","0.0667","","0.1381","0.1235","0.1381","","","","","","0.9089","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335557","22.132","0.003","22.132","0.003","20.854","0.003","90","","90","","120","","8846","2","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 O28 Pr3 -","- C54 H69.996 Cl9 Cu8 N6 O28 Pr3 -","- C162 H209.988 Cl27 Cu24 N18 O84 Pr9 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0919","0.0646","","0.1783","0.1545","0.1783","","","","","","0.9451","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335558","22.135","0.003","22.135","0.003","21.038","0.003","90","","90","","120","","8927","2","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 Nd3 O28 -","- C54 H69.996 Cl9 Cu8 N6 Nd3 O28 -","- C162 H209.988 Cl27 Cu24 N18 Nd9 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0882","0.0507","","0.0995","0.0803","0.0995","","","","","","0.8845","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335559","22.186","0.003","22.186","0.003","20.947","0.002","90","","90","","120","","8929.2","1.9","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Ce3 Cl9 Cu8 N6 O28 -","- C54 H69.996 Ce3 Cl9 Cu8 N6 O28 -","- C162 H209.988 Ce9 Cl27 Cu24 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0998","0.0748","","0.1565","0.1373","0.1565","","","","","","0.9474","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335560","22.086","0.002","22.086","0.002","20.661","0.002","90","","90","","120","","8728","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Eu3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Eu3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Eu9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0761","0.0583","","0.1133","0.0998","0.1133","","","","","","0.8421","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335561","22.146","0.001","22.146","0.001","20.699","0.002","90","","90","","120","","8791.7","1","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Gd3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Gd3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Gd9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0692","0.0565","","0.1096","0.0994","0.1096","","","","","","0.9039","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335562","22.126","0.002","22.126","0.002","20.559","0.002","90","","90","","120","","8716.4","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 O28 Tb3 -","- C54 H69.996 Cl9 Cu8 N6 O28 Tb3 -","- C162 H209.988 Cl27 Cu24 N18 O84 Tb9 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0767","0.0576","","0.1241","0.1063","0.1241","","","","","","0.8351","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335563","22.089","0.002","22.089","0.002","20.674","0.003","90","","90","","120","","8735.9","1.7","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Dy3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Dy3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Dy9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","1.5418","CuKα","","0.0969","0.0803","","0.2125","0.1866","0.2125","","","","","","0.8977","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335564","22.291","0.002","22.291","0.002","20.55","0.002","90","","90","","120","","8843","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Er3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Er3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Er9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0474","0.0421","","0.0922","0.0862","0.0922","","","","","","0.8887","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335565","22.145","0.002","22.145","0.002","20.554","0.002","90","","90","","120","","8729.3","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 O28 Yb3 -","- C54 H69.996 Cl9 Cu8 N6 O28 Yb3 -","- C162 H209.988 Cl27 Cu24 N18 O84 Yb9 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0556","0.0422","","0.078","0.0699","0.078","","","","","","0.9002","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335566","22.195","0.001","22.195","0.001","20.484","0.001","90","","90","","120","","8738.9","0.7","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Lu3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Lu3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Lu9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0608","0.0401","","0.0851","0.0708","0.0851","","","","","","0.8646","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4336838","25.4572","0.0006","25.4572","0.0006","16.5136","0.0004","90","","90","","120","","9268.2","0.4","100","1","100","1","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C101 H88 Cl22 F16 N6 O12 P2 Pd6 -","- C101.02 H88.02 Cl22.05 F15.996 N6 O12 P2 Pd6 -","- C303.06 H264.06 Cl66.15 F47.988 N18 O36 P6 Pd18 -","3","0.166667","","Michael G. Campbell; Shao-Liang Zheng; Tobias Ritter","One-Dimensional Palladium Wires: Influence of Molecular Changes on Supramolecular Structure","Inorganic Chemistry","2013","52","","13295","13297","10.1021/ic4019635","","","0.71073","MoKα","","0.0401","0.0349","","","0.0779","0.0801","","","","","","1.06","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4337574","29.151","0.003","29.151","0.003","24.933","0.003","90","","90","","120","","18349","3","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C249 H159 F2 N12 O65.25 P Ru2 Zn12 -","- C241.86 H154.188 F2.04 N11.586 O65.25 P1.02 Ru2 Zn12 -","- C725.58 H462.564 F6.12 N34.758 O195.75 P3.06 Ru6 Zn36 -","3","0.166667","","Whittington, Christi L.; Wojtas, Lukasz; Larsen, Randy W.","Ruthenium(II) tris(2,2'-bipyridine)-templated zinc(II) 1,3,5-tris(4-carboxyphenyl)benzene metal organic frameworks: structural characterization and photophysical properties.","Inorganic chemistry","2014","53","1","160","166","10.1021/ic402614w","","","0.41328","synchrotron","","0.0754","0.0531","","","0.1417","0.1527","","","","","","1.03","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337677","14.19","0.004","14.19","0.004","40.593","0.01","90","","90","","120","","7079","3","150","","150","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C36 H18 Mg2 N6 O24 Ru -","- C36 H18 Mg2.005 N6 O24 Ru -","- C216 H108 Mg12.03 N36 O144 Ru6 -","6","0.333333","","Kobayashi, Atsushi; Ohba, Tadashi; Saitoh, Erika; Suzuki, Yui; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Flexible Coordination Polymers Composed of Luminescent Ruthenium(II) Metalloligands: Importance of the Position of the Coordination Site in Metalloligands.","Inorganic chemistry","2014","53","6","2910","2921","10.1021/ic402683j","","","0.689","synchrotron","","","0.0509","","","","0.1661","","","","","","1.131","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337685","14.744","0.0011","14.744","0.0011","42.978","0.003","90","","90","","120","","8091.1","1","173","2","173","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C48 H66 Cl2 N6 Ni O11 S3 -","- C48 H66 Cl2 N6 Ni O11 S3 -","- C288 H396 Cl12 N36 Ni6 O66 S18 -","6","0.333333","","Merten, Christian; McDonald, Robert; Xu, Yunjie","Strong Solvent-Dependent Preference of Δ and Λ Stereoisomers of a Tris(diamine)nickel(II) Complex Revealed by Vibrational Circular Dichroism Spectroscopy.","Inorganic chemistry","2014","53","6","3177","3182","10.1021/ic4031766","","","0.71073","MoKα","","0.0284","0.0264","","","0.0725","0.0739","","","","","","1.05","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4338031","12.0614","0.0007","12.0614","0.0007","36.028","0.005","90","","90","","120","","4539.1","0.7","296","2","296","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","[Cu3(OH)(trala)3(ClO4)0.5](ClO4)1.5•1.5H2O","","","- C15 H22 Cl2 Cu3 N9 O16.5 -","- C15 H19 Cl2 Cu3 N9 O16.5 -","- C90 H114 Cl12 Cu18 N54 O99 -","6","0.333333","","Vasylevs'kyy, Sergiy I.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Jezierska, Julia; Krautscheid, Harald; Domasevitch, Konstantin V.; Ozarowski, Andrew","1,2,4-Triazolyl-Carboxylate-Based MOFs Incorporating Triangular Cu(II)-Hydroxo Clusters: Topological Metamorphosis and Magnetism.","Inorganic chemistry","2014","53","7","3642","","10.1021/ic403148f","","","0.71073","MoKα","","0.0627","0.0458","","","0.1429","0.152","","","","","","1.033","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341939","29.5723","0.001","29.5723","0.001","34.1452","0.0013","90","","90","","120","","25860.1","1.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C165 H93 O48 S2 Zn12 -","- C165 H93 O48 S2 Zn12 -","- C495 H279 O144 S6 Zn36 -","3","0.166667","","Chen, Shuang-Qiu; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Channel Partition into Nanoscale Polyhedral Cages of a Triple-Self-Interpenetrated Metal-Organic Framework with High CO2 Uptake.","Inorganic chemistry","2015","54","1","10","12","10.1021/ic502254c","","","0.71073","MoKα","","0.0734","0.0444","","","0.09","0.0942","","","","","","1.034","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4349177","4.9645","0.0014","4.9645","0.0014","27.207","0.011","90","","90","","120","","580.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 O3 Rb Zn2 -","- B Cl2 O3 Rb Zn2 -","- B3 Cl6 O9 Rb3 Zn6 -","3","0.166667","","Huang, Qian; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian","Beryllium-Free KBBF Family of Nonlinear-Optical Crystals: AZn<sub>2</sub>BO<sub>3</sub>X<sub>2</sub> (A = Na, K, Rb; X = Cl, Br).","Inorganic chemistry","2016","55","24","12496","12499","10.1021/acs.inorgchem.6b02044","","","0.71073","MoKα","","0.0271","0.0256","","","0.0826","0.0832","","","","","","1.205","","","","has coordinates","233669","2020-10-21","18:00:00",""
"4349223","12.9902","0.0002","12.9902","0.0002","13.8863","0.0004","90","","90","","120","","2029.31","0.07","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-2(I)","","","- C12 H27 Ag3 I6 N4 -","- C12 H27 Ag3 I6 N4 -","- C36 H81 Ag9 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0191","0.0189","","","0.0465","0.0466","","","","","","1.034","","","","has coordinates","233732","2020-10-21","18:00:00",""
"4349224","13.0556","0.0002","13.0556","0.0002","14.1761","0.0004","90","","90","","120","","2092.58","0.07","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-3(I)","","","- C12 H25 Ag4 I6 N4 -","- C12 H25 Ag4 I6 N4 -","- C36 H75 Ag12 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0574","0.0572","","","0.1536","0.1538","","","","","","1.013","","","","has coordinates","233734","2020-10-21","18:00:00",""
"4349225","13.0088","0.0004","13.0088","0.0004","13.9137","0.001","90","","90","","120","","2039.14","0.17","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-2(I)","","","- C12 H27 Ag3 I6 N4 -","- C12 H27 Ag3 I6 N4 -","- C36 H81 Ag9 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0211","0.0205","","","0.0504","0.0509","","","","","","1.065","","","","has coordinates","233736","2020-10-21","18:00:00",""
"4349226","12.3313","0.0003","12.3313","0.0003","13.5163","0.0006","90","","90","","120","","1779.94","0.1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-1(Br)","","","- C12 H27 Ag3 Br6 N4 -","- C12 H27 Ag3 Br6 N4 -","- C36 H81 Ag9 Br18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0255","0.0245","","","0.0566","0.0569","","","","","","1.048","","","","has coordinates","233737","2020-10-21","18:00:00",""
"4349227","13.0576","0.0003","13.0576","0.0003","14.1692","0.0008","90","","90","","120","","2092.2","0.14","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-3(I)","","","- C12 H25 Ag4 I6 N4 -","- C12 H25 Ag4 I6 N4 -","- C36 H75 Ag12 I18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0349","0.0336","","","0.1138","0.125","","","","","","1.064","","","","has coordinates","233739","2020-10-21","18:00:00",""
"4349228","12.3368","0.0009","12.3368","0.0009","13.5135","0.0018","90","","90","","120","","1781.2","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","AXZ-1(Br)","","","- C12 H27 Ag3 Br6 N4 -","- C12 H27 Ag3 Br6 N4 -","- C36 H81 Ag9 Br18 N12 -","3","0.166667","","Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin","Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.","Inorganic chemistry","2016","55","21","11593","11599","10.1021/acs.inorgchem.6b02121","","","0.71073","MoKα","","0.0219","0.0201","","","0.0483","0.0488","","","","","","1.03","","","","has coordinates","233740","2020-10-21","18:00:00",""
"4500061","23.338","0.009","23.338","0.009","10.842","0.009","90","","90","","120","","5114","5","280","2","280","2","","","","","","","Synthesized by the authors. See text","5","R 3 2 :H","R 3 2""","155","","","","- C60 H64 N6 O8 S6 -","- C60 H63.9998 N6 O7.9998 S6 -","- C180 H191.999 N18 O23.9994 S18 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest","Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions","Cryst. Growth & Design","2006","6","","461","466","10.1021/cg050384a","","","1.54178","CuKα","","0.0872","0.0732","","","0.1681","0.1701","","","","","","1.063","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4502315","21.545","0.002","21.545","0.002","19.137","0.003","90","","90","","120","","7693","1.6","113","2","113","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C78 H54 Cd Cl2 N12 O8 -","- C78 H54 Cd Cl2 N12 O8 -","- C234 H162 Cd3 Cl6 N36 O24 -","3","0.166667","","Li, Zuo-Xi; Hu, Tong-Liang; Ma, Hong; Zeng, Yong-Fei; Li, Cui-Jin; Tong, Ming-Liang; Bu, Xian-He","Adjusting the Porosity and Interpenetration of Cadmium(II) Coordination Polymers by Ligand Modification: Syntheses, Structures, and Adsorption Properties","Crystal Growth & Design","2010","10","3","1138","","10.1021/cg900980y","","","0.71073","MoKα","","0.0868","0.0845","","","0.2281","0.2311","","","","","","1.258","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4505449","15.822","0.002","15.822","0.002","12.482","0.003","90","","90","","120","","2706.1","0.8","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- H26 Mn4 Mo9 O45 -","- Mn4 Mo9 O45 -","- Mn12 Mo27 O135 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.05","0.0489","","","0.1399","0.1409","","","","","","1.104","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505450","15.841","0.002","15.841","0.002","12.531","0.003","90","","90","","120","","2723.2","0.8","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- H26 Mn4 Mo9 O45 -","- Mn4 Mo9 O45 -","- Mn12 Mo27 O135 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.0464","0.0456","","","0.1318","0.1323","","","","","","1.141","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505451","15.706","0.002","15.706","0.002","12.462","0.003","90","","90","","120","","2662.3","0.8","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H23 Mn Mo9 Ni3 O43.5 -","- Mn Mo9 Ni3 O43.5 -","- Mn3 Mo27 Ni9 O130.5 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.1002","0.0722","","","0.1753","0.194","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505621","15.094","0.008","15.094","0.008","48.91","0.05","90","","90","","120","","9650","12","296","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C40 H46 N4 O8 S -","- C40 H46 N4 O8 S -","- C360 H414 N36 O72 S9 -","9","0.5","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0863","0.0741","","","0.206","0.2148","","","","","","1.055","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4510094","28.0967","0.0008","28.0967","0.0008","22.9666","0.0014","90","","90","","120","","15701.4","1.1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C54 H34 Li2 N0 O12 -","- C27 H17 Li O6 -","- C486 H306 Li18 O108 -","18","1","","Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui","New Lithium Ion Clusters for Construction of Porous MOFs","Crystal Growth & Design","2014","14","3","897","","10.1021/cg4016756","","","0.71073","MoKα","","0.095","0.0677","","","0.1823","0.1971","","","","","","0.954","","","","has coordinates","179647","2020-10-21","18:00:00",""
"7000279","18.5387","0.0003","18.5387","0.0003","30.0782","0.0006","90","","90","","120","","8952.4","0.3","193","2","193","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C30 H48 Au2 Br2 N8 O4 -","- C30 H48 Au2 Br2 N8 O4 -","- C270 H432 Au18 Br18 N72 O36 -","9","0.5","","Jean-Baptiste dit Dominique, François; Gornitzka, Heinz; Sournia-Saquet, Alix; Hemmert, Catherine","Dinuclear gold(i) and gold(iii) complexes of bridging functionalized bis(N-heterocyclic carbene) ligands: synthesis, structural, spectroscopic and electrochemical characterizations","Dalton Transactions","2009","","2","340","352","10.1039/b809943j","","","0.71073","MoKα","","0.0563","0.0478","","","0.0998","0.1032","","","","","","1.094","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7001496","15.9158","0.0013","15.9158","0.0013","43.304","0.003","90","","90","","120","","9499.8","1.3","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C48 H92.5 Ag3 N9 O22.25 -","- C48 H90 Ag3 N9 O22.25 -","- C288 H540 Ag18 N54 O133.5 -","6","0.333333","","Zhu, Bi-Xue; Zhang, Qi-Long; Zhang, Yun-Qian; Tao, Zhu; Clegg, Jack K.; Reimers, Jeffrey R.; Lindoy, Leonard F.; Wei, Gang","Polymeric di- and discrete trinuclear silver(I) assemblies incorporating γ-carbon bonded, neutral acetylacetone-imine motifs assembled from racemic and diastereopure N,N′-bis(acetylacetone)cyclohexanediimine units","Dalton Transactions","2009","","25","4896","4900","10.1039/b903467f","","","0.71073","MoKα","","0.0351","0.034","","","0.0953","0.0965","","","","","","1.083","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7007230","10.1113","0.0012","10.1113","0.0012","29.655","0.005","90","","90","","120","","2625.7","0.6","150","2","150","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H57 Cl3 Cu N8 O13 -","- C24 H54 Cl3 Cu N8 O13 -","- C72 H162 Cl9 Cu3 N24 O39 -","3","0.166667","","Farrell, David; Harding, Charles J.; McKee, Vickie; Nelson, Jane","Effect of methylation on the coordination of copper by small azacryptands; the role of geometrically constrained hydrogen bonding in stabilizing terminally coordinated oxygen species.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3204","3211","10.1039/b602003h","","","0.71073","MoKα","","0.0407","0.0367","","","0.0957","0.0977","","","","","","1.13","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7009457","16.403","0.002","16.403","0.002","27.497","0.005","90","","90","","120","","6407.1","1.6","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C78 H70 Cl3 N20 Nd O14 -","- C78 H66 Cl3 N20 Nd O14 -","- C234 H198 Cl9 N60 Nd3 O42 -","3","0.166667","","Su, Cheng-Yong; Kang, Bei-Sheng; Yang, Qing-Chuan; Mak, Thomas C. W.","Doubly interpenetrating stereoisomeric three-dimensional frameworks of tripodal neodymium(III) complexes from potentially spacer-controlled enantioselective self-assembly","Journal of the Chemical Society, Dalton Transactions","2000","","12","1857","","10.1039/b001236j","","","0.71073","MoKα","","0.0523","0.0478","","0.1466","0.123","","","","1.062","1.06","1.06","","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7011765","12.618","0.0018","12.618","0.0018","27.903","0.006","90","","90","","120","","3847.4","1.1","123","2","123","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C51 H42 Ce I3 N12 -","- C51 H33 Ce I3 N12 -","- C153 H99 Ce3 I9 N36 -","3","0.166667","","Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine","The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes","J. Chem. Soc., Dalton Trans.","2002","","16","3265","3272","10.1039/b203725d","","","0.71073","MoKα","","0.0349","0.0333","","","0.0815","0.0828","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7019740","23.7522","0.0003","23.7522","0.0003","44.6195","0.0015","90","","90","","120","","21800.3","0.8","93","2","93","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H116 Cl14 Co5 O62 Sb12 -","- C72 H48 Cl13.995 Co5 O62 Sb12 -","- C432 H288 Cl83.97 Co30 O372 Sb72 -","6","0.333333","","Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania","Isopolyoxometalates derived from arylstibonic acids with ""reverse-Keggin ion"" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii).","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9964","9970","10.1039/c2dt30341h","","","0.71073","MoKα","","0.0314","0.0294","","","0.0826","0.0839","","","","","","1.051","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019964","28.2738","0.0004","28.2738","0.0004","79.4732","0.0015","90","","90","","120","","55019.9","1.5","123","2","123","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C180 H244 Mn12 N18 O98 Yb6 -","- C174 H190 Mn12 N16 O74 Yb6 -","- C1566 H1710 Mn108 N144 O666 Yb54 -","9","0.5","","Zheng, Yong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Stepwise assembly of homochiral coordination polymers based on the precursor of an enantiopure Yb(3)Mn(6) cluster.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10518","10520","10.1039/c2dt30667k","","","0.71073","MoKα","","0.0678","0.0478","","","0.1158","0.1268","","","","","","0.999","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7021551","13.9687","0.0009","13.9687","0.0009","57.126","0.008","90","","90","","120","","9653.3","1.6","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H108 Bi4 I24 Na4 O18 Pt2 -","- C45 H90 Bi4 I24 Na4 O15 Pt2 -","- C135 H270 Bi12 I72 Na12 O45 Pt6 -","3","0.166667","","Adonin, Sergey A.; Sokolov, Maxim N.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Fedin, Vladimir P.","[PtBi2I12](2-): the first polyiodobismuthate containing an octahedral heterometallic unit.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9818","9821","10.1039/c3dt51048d","","","0.71073","MoKα","","0.0979","0.0775","","","0.1885","0.2043","","","","","","0.981","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7023565","28.011","0.0017","28.011","0.0017","25.438","0.003","90","","90","","120","","17285","3","100","2","100","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C205 H145 F36 Fe17 N71 O16 P6 -","- C189 H117 F36 Fe17 N63 O16 P6 -","- C567 H351 F108 Fe51 N189 O48 P18 -","3","0.166667","","Shiga, Takuya; Noguchi, Mao; Sato, Hiroki; Matsumoto, Takuto; Newton, Graham N.; Oshio, Hiroki","Triple-stranded ferric helices: a π-π interaction-driven structural hierarchy of Fe5, Fe7, and Fe17 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16185","16193","10.1039/c3dt51480c","","","0.71073","MoKα","","0.1054","0.0877","","","0.2034","0.2141","","","","","","0.982","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023687","16.2935","0.0005","16.2935","0.0005","28.842","0.0013","90","","90","","120","","6631.1","0.4","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C66 H94 Cd2 Cl6 N14 Na2 O32 -","- C66 H90 Cd2 Cl6 N14 Na2 O31.98 -","- C198 H270 Cd6 Cl18 N42 Na6 O95.94 -","3","0.166667","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.1103","0.1023","","","0.2514","0.2578","","","","","","1.129","","","","has coordinates,has disorder","291143","2024-04-09","08:48:23",""
"7027946","9.5146","0.0003","9.5146","0.0003","22.109","0.0009","90","","90","","120","","1733.33","0.1","150","2","150","2","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled to 150K at a rate of 120 Khr^-1^ for single-crystal X-ray diffraction analysis.","","","3","R 3 2 :H","R 3 2""","155","U(Pn*)2","U(Pn*)2","","- C28 H36 U -","- C27.72 H35.64 U -","- C83.16 H106.92 U3 -","3","0.166667","","Chadwick, F. Mark; Ashley, Andrew; Wildgoose, Gregory; Goicoechea, Jose M.; Randall, Simon; O'Hare, Dermot","Bis(permethylpentalene)uranium","Dalton Transactions","2010","39","29","6789","6793","10.1039/c0dt00012d","","","0.71073","MoKα","","0.0313","0.0313","","","0.073","0.073","","","","","","1.091","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7036236","13.9508","0.0019","13.9508","0.0019","22.402","0.007","90","0.01","90","0.009","120","0.008","3775.9","1.4","195","2","195","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Compound1","","- C18 H6 In3 N0.5 O23.5 -","- C18 H6 In3 N0.5 O23.5 -","- C54 H18 In9 N1.5 O70.5 -","3","0.166667","","Bu, Fei; Lin, Qipu; Zhai, Quan-Guo; Bu, Xianhui; Feng, Pingyun","Charge-tunable indium-organic frameworks built from cationic, anionic, and neutral building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16671","16674","10.1039/c5dt02861b","","","0.71073","MoKα","","0.0471","0.0464","","","0.1323","0.1331","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7044706","16.21","0.008","16.21","0.008","18.208","0.018","90","","90","","120","","4143","5","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C42 H43 Fe4 N3 O22.5 -","- C42 H42 Fe4 N3 O22.5 -","- C126 H126 Fe12 N9 O67.5 -","3","0.166667","","Xue, Yuanshan; Tan, Xu; Zhou, Mengjie; Mei, Hua; Xu, Yan","Synthesis, structures and magnetic properties of two chiral mixed-valence iron(II, III) coordination networks","Dalton Transactions","2017","","","","","10.1039/C7DT03411C","","","0.71073","MoKα","","0.065","0.0636","","","0.1782","0.1795","","","","","","1.071","","","","has coordinates","202944","2020-10-21","18:00:00",""
"7044707","16.343","0.02","16.343","0.02","18.41","0.03","90","","90","","120","","4258","10","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C42 H43 Fe4 N3 O22.5 -","- C42 H42 Fe4 N3 O22.5 -","- C126 H126 Fe12 N9 O67.5 -","3","0.166667","","Xue, Yuanshan; Tan, Xu; Zhou, Mengjie; Mei, Hua; Xu, Yan","Synthesis, structures and magnetic properties of two chiral mixed-valence iron(II, III) coordination networks","Dalton Transactions","2017","","","","","10.1039/C7DT03411C","","","0.71073","MoKα","","0.0536","0.0493","","","0.1228","0.1257","","","","","","1.101","","","","has coordinates","202944","2020-10-21","18:00:00",""
"7045444","24.812","0.005","24.812","0.005","67.434","0.007","90","","90","","120","","35953","11","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C30 H67 Co2 Cr0.33 Cu3 N6 O20.5 S6 -","- C30 H54 Co2 Cr0.333333 Cu3 N6 O14 S6 -","- C540 H972 Co36 Cr6 Cu54 N108 O252 S108 -","18","1","","Oya, Naoyuki; Yamada, Mihoko; Surinwong, Sireenart; Kuwamura, Naoto; Konno, Takumi","A stable thiolato-Cu<sup>I</sup>-thiolato triple linkage that bridges two cobalt(iii) centres.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2497","2500","10.1039/c7dt04760f","","","0.701","synchrotron","","0.2139","0.076","","","0.1667","0.2217","","","","","","0.834","","","","has coordinates","229394","2020-10-21","18:00:00",""
"7052593","21.0741","0.0003","21.0741","0.0003","33.459","0.0006","90","","90","","120","","12868.9","0.3","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C53 H76 Cl2 N2 O20 -","- C52.96 H75.96 Cl1.66667 N2 O18.6667 -","- C476.64 H683.64 Cl15 N18 O168 -","9","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K.","Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition","New Journal of Chemistry","2011","35","3","724","","10.1039/c0nj00780c","","","1.54178","CuKα","","0.0647","0.0628","","","0.1753","0.179","","","","","","1.053","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7061566","22.6343","0.0013","22.6343","0.0013","67.098","0.003","90","","90","","120","","29770","3","150","2","150","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C183 H156 N24 O3 Zn3 -","- C183 H156 N24 O3 Zn3 -","- C1098 H936 N144 O18 Zn18 -","6","0.333333","","Yang, Wei; Wang, Chen; Liu, Kunhui; Liu, Chao; Jiang, Jianzhuang","Photophysical behaviors of a shape-persistent zinc porphyrin organic cage","New Journal of Chemistry","2022","46","24","11782","11787","10.1039/D2NJ00734G","","","1.54184","CuKα","","0.1307","0.0955","","","0.2587","0.2987","","","","","","0.897","","","","has coordinates","276638","2022-07-06","08:19:36",""
"7061567","22.6043","0.0006","22.6043","0.0006","66.9671","0.0016","90","","90","","120","","29632.9","1.3","150","","150","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C183 H156 N24 O3 Zn3 -","- C183 H156 N24 O3 Zn3 -","- C1098 H936 N144 O18 Zn18 -","6","0.333333","","Yang, Wei; Wang, Chen; Liu, Kunhui; Liu, Chao; Jiang, Jianzhuang","Photophysical behaviors of a shape-persistent zinc porphyrin organic cage","New Journal of Chemistry","2022","46","24","11782","11787","10.1039/D2NJ00734G","","","0.71073","MoKα","","0.1271","0.0962","","","0.2523","0.2759","","","","","","0.985","","","","has coordinates","276638","2022-07-06","08:19:39",""
"7101842","9.4931","0.0003","9.4931","0.0003","22.1762","0.0008","90","","90","","120","","1730.75","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled to 100K at a rate of 120 Khr^-1^ for single-crystal X-ray diffraction analysis.","","synthesis as described","3","R 3 2 :H","R 3 2""","155","","","","- C28 H36 Ce -","- C27.9972 H35.9964 Ce -","- C83.9916 H107.989 Ce3 -","3","0.166667","","Ashley, Andrew; Balazs, Gabor; Cowley, Andrew; Green, Jennifer; Booth, Corwin H; O'Hare, Dermot","Bis(permethylpentalene)cerium‒another ambiguity in lanthanide oxidation state.","Chemical communications (Cambridge, England)","2007","","15","1515","1517","10.1039/b700303j","","","0.71073","MoKα","","0.0267","0.0267","","0.0282","0.0282","0.0282","","","","","","0.9774","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104310","21.4718","0.0018","21.4718","0.0018","22.42","0.004","90","","90","","120","","8951.7","1.8","173","2","173","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C102 H109 N10 O38.5 Zn9 -","- C81 H57 N3 O33 Zn9 -","- C243 H171 N9 O99 Zn27 -","3","0.166667","","Park, Mira; Moon, Dohyun; Yoon, Ji Woong; Chang, Jong-San; Lah, Myoung Soo","A metal-organic framework based on an unprecedented nonanuclear cluster as a secondary building unit: structure and gas sorption behavior.","Chemical communications (Cambridge, England)","2009","34","15","2026","2028","10.1039/b818648k","","","0.71073","MoKα","","0.0398","0.0339","","","0.0996","0.1016","","","","","","1.079","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105394","18.2533","0.0014","18.2533","0.0014","47.517","0.007","90","","90","","120","","13711","3","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C48 H52.5 Ag B Cl N4.5 O4 -","- C48 H52.5 Ag B Cl N4.5 O4 -","- C576 H630 Ag12 B12 Cl12 N54 O48 -","12","0.666667","","Liu, Yan; Xu, Xin; Xia, Qingchun; Yuan, Guozan; He, Qizhuang; Cui, Yong","Multiple topological isomerism of three-connected networks in silver-based metal–organoboron frameworks","Chemical Communications","2010","46","15","2608","","10.1039/b923365b","","","0.71073","MoKα","","0.1232","0.0716","","","0.1845","0.2194","","","","","","1.028","","","","has coordinates","287935","2023-12-01","15:08:13",""
"7106229","16.2073","0.0007","16.2073","0.0007","23.4757","0.0018","90","","90","","120","","5340.4","0.5","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C66 H72 Cl12 N6 O6 -","- C66 H72 Cl12 N6 O6 -","- C198 H216 Cl36 N18 O18 -","3","0.166667","","Cecile Givelet; Junling Sun; Di Xu; Thomas J. Emge; Ashwini Dhokte; Ralf Warmuth","Templated dynamic cryptophane formation in water","Chem.Commun.","2011","47","","4511","","10.1039/c1cc10510h","","","0.71073","MoKα","","0.0772","0.0564","","","0.1213","0.1327","","","","","","1.004","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7107112","17.4269","0.0005","17.4269","0.0005","22.3789","0.0006","90","","90","","120","","5885.9","0.3","123","1","123","1","","","","","","","","5","R 3 2 :H","R 3 2""","155","(N4444)3[Ce(dcnm)6]","Tri(tetrabutylammonium) hexakis(dicyanonitrosomethanido)cerium(III)","","- C66 H108 Ce N21 O6 -","- C66 H108 Ce N21 O6 -","- C198 H324 Ce3 N63 O18 -","3","0.166667","","Anthony S. R. Chesman; Mei Yang; Bert Mallick; Tamsyn M. Ross; Ian A. Gass; Glen B. Deacon; Stuart R. Batten; Anja-Verena Mudring","Melting point suppression in new lanthanoid(III) ionic liquids by trapping of kinetic polymorphs: an in situ synchrotron powder diffraction study","Chem.Commun.","2012","48","","124","","10.1039/c1cc14744g","","","0.71073","MoKα","","0.0158","0.0158","","","0.0413","0.0413","","","","","","0.72","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107113","17.5311","0.0011","17.5311","0.0011","22.263","0.0017","90","","90","","120","","5925.6","0.7","123","2","123","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C66 H108 N21 O6 Sm -","- C66 H108 N21 O6 Sm -","- C198 H324 N63 O18 Sm3 -","3","0.166667","","Anthony S. R. Chesman; Mei Yang; Bert Mallick; Tamsyn M. Ross; Ian A. Gass; Glen B. Deacon; Stuart R. Batten; Anja-Verena Mudring","Melting point suppression in new lanthanoid(III) ionic liquids by trapping of kinetic polymorphs: an in situ synchrotron powder diffraction study","Chem.Commun.","2012","48","","124","","10.1039/c1cc14744g","","","0.71073","MoKα","","0.0295","0.0287","","","0.0683","0.0687","","","","","","1.029","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107883","35.14","0.0019","35.14","0.0019","92.24","0.008","90","","90","","120","","98640","11","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C264 N24 O38 Ru6 Zn8 -","- C264 N24 O38 Ru6 Zn8 -","- C1584 N144 O228 Ru36 Zn48 -","6","0.333333","","Joseph M. Falkowski; Sophie Liu; Cheng Wang; Wenbin Lin","Chiral metal-organic frameworks with tunable open channels as single-site asymmetric cyclopropanation catalysts","Chem.Commun.","2012","48","","6508","","10.1039/c2cc32232c","","","1.54178","CuKα","","0.1845","0.1326","","","0.3182","0.3482","","","","","","1.724","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7109890","21.1295","0.0003","21.1295","0.0003","18.0194","0.0003","90","","90","","120","","6967.06","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C25.33 H22 N4.67 Ni O8.67 W -","- C25.32 H21.98 N4.66667 Ni O8.65 W -","- C227.88 H197.82 N42 Ni9 O77.85 W9 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Tony Pham; Katherine A. Forrest; Brant Tudor; Lukasz Wojtas; Brian Space; Michael J. Zaworotko","Pillar substitution modulates CO2 affinity in 'mmo' topology networks","Chem.Commun.","2013","49","","9809","","10.1039/c3cc44745f","","","1.54178","CuKα","","0.0188","0.0187","","","0.0488","0.0488","","","","","","1.072","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109891","21.3175","0.0008","21.3175","0.0008","17.9653","0.0009","90","","90","","120","","7070.3","0.5","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Co N4 O9.08 W -","- C24 H20 Co N4 O9.07667 W -","- C216 H180 Co9 N36 O81.69 W9 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Tony Pham; Katherine A. Forrest; Brant Tudor; Lukasz Wojtas; Brian Space; Michael J. Zaworotko","Pillar substitution modulates CO2 affinity in 'mmo' topology networks","Chem.Commun.","2013","49","","9809","","10.1039/c3cc44745f","","","1.54178","CuKα","","0.0286","0.0271","","","0.0617","0.0622","","","","","","0.999","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7110841","17.661","0.002","17.661","0.002","20.722","0.004","90","","90","","120","","5597.5","1.4","294","2","294","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C48 H54 N12 O12 Zn3 -","- C48 H54 N12 O12 Zn3 -","- C144 H162 N36 O36 Zn9 -","3","0.166667","","Liu, Hong-Ke; Sun, Wei-Yin; Ma, De-Jian; Tang, Wen-Xia; Yu, Kai-Bei","The first X-ray structurally characterized M3L2 cage-like complex with tetrahedral metal centres and its encapsulation of a neutral guest molecule","Chemical Communications","2000","","7","591","","10.1039/b000259n","","","0.71073","MoKα","","0.1476","0.0684","","0.3411","0.1641","","","","0.811","1.083","1.083","","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7112968","9.7504","0.0001","9.7504","0.0001","21.2854","0.0015","90","","90","","120","","1752.5","0.13","123","2","123","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-clambda-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]","","- C9 H18 La2 O24 -","- C9 H18 La2 O24 -","- C27 H54 La6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Höppe, Henning A; Vieth, Jana K.; Sanchiz, Joaquin; Janiak, Christoph","Spontaneous resolution upon crystallization of chiral La(III) and Gd(III) MOFs from achiral dihydroxymalonate.","Chemical communications (Cambridge, England)","2010","46","43","8270","8272","10.1039/c0cc01804j","","","0.71073","MoKα","","0.0126","0.0125","","","0.0296","0.0297","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112969","9.758","0.0003","9.758","0.0003","21.2982","0.0015","90","","90","","120","","1756.29","0.15","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-cdelta-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]","","- C9 H18 La2 O24 -","- C9 H18 La2 O24 -","- C27 H54 La6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Höppe, Henning A; Vieth, Jana K.; Sanchiz, Joaquin; Janiak, Christoph","Spontaneous resolution upon crystallization of chiral La(III) and Gd(III) MOFs from achiral dihydroxymalonate.","Chemical communications (Cambridge, England)","2010","46","43","8270","8272","10.1039/c0cc01804j","","","0.71073","MoKα","","0.02","0.0178","","","0.0378","0.0381","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112970","9.6396","0.0008","9.6396","0.0008","20.7433","0.0016","90","","90","","120","","1669.3","0.2","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-clambda-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')gadolinium(iii))","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')gadolinium(III)]","","- C9 H18 Gd2 O24 -","- C9 H18 Gd2 O24 -","- C27 H54 Gd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Höppe, Henning A; Vieth, Jana K.; Sanchiz, Joaquin; Janiak, Christoph","Spontaneous resolution upon crystallization of chiral La(III) and Gd(III) MOFs from achiral dihydroxymalonate.","Chemical communications (Cambridge, England)","2010","46","43","8270","8272","10.1039/c0cc01804j","","","0.71073","MoKα","","0.019","0.0182","","","0.0408","0.0411","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116022","29.7005","0.0017","29.7005","0.0017","13.7937","0.0008","90","","90","","120","","10537.5","1","100","2","100","2","","","","","","","no","5","R 3 2 :H","R 3 2""","155","","Fe4-NO2(R)","","- C90 H72 Fe4 N12 O24 -","- C90 H72 Fe4 N12 O24 -","- C270 H216 Fe12 N36 O72 -","3","0.166667","","Yuan-Yuan Zhu; Ting-Ting Yin; Shang-Da Jiang; Anne-Laure Barra; Wolfgang Wernsdorfer; Petr Neugebauer; Raphael Marx; Maria Dorfel; Bing-Wu Wang; Zong-Quan Wu; Joris van Slageren; Song Gao","The solvent effect in an axially symmetric FeIII4 single-molecule magnet","Chem.Commun.","2014","50","","15090","","10.1039/C4cc07580C","","","0.71073","MoKα","","0.0485","0.0448","","","0.1167","0.1185","","","","","","1.056","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116023","29.778","0.004","29.778","0.004","13.885","0.003","90","","90","","120","","10663","3","173","2","173","2","","","","","","","no","5","R 3 2 :H","R 3 2""","155","Fe4L6-NO2-S","Fe4-NO2(S)","","- C90 H72 Fe4 N12 O24 -","- C90 H72 Fe4 N12 O24 -","- C270 H216 Fe12 N36 O72 -","3","0.166667","","Yuan-Yuan Zhu; Ting-Ting Yin; Shang-Da Jiang; Anne-Laure Barra; Wolfgang Wernsdorfer; Petr Neugebauer; Raphael Marx; Maria Dorfel; Bing-Wu Wang; Zong-Quan Wu; Joris van Slageren; Song Gao","The solvent effect in an axially symmetric FeIII4 single-molecule magnet","Chem.Commun.","2014","50","","15090","","10.1039/C4cc07580C","","","0.71073","MoKα","","0.0616","0.0607","","","0.1735","0.1743","","","","","","1.089","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116492","23.2738","0.0011","23.2738","0.0011","33.9318","0.0014","90","","90","","120","","15917.4","1.3","291","2","291","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C168 H96 N9 O53 Zn17 -","- C168 H96 N9 O53 Zn17 -","- C504 H288 N27 O159 Zn51 -","3","0.166667","","Hu, Jin-Song; Zhang, Lei; Qin, Ling; Zheng, He-Gen; Zhang, Xiang-Biao","A rare three-coordinated zinc cluster-organic framework with two types of secondary building units.","Chemical communications (Cambridge, England)","2015","51","14","2899","","10.1039/c4cc09782c","","","0.71073","MoKα","","0.0632","0.0492","","","0.103","0.1066","","","","","","1.087","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7118048","26.9207","0.0009","26.9207","0.0009","20.9044","0.0014","90","","90","","120","","13120.2","1.1","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C69 H66 Cd4 N12 O29 -","- C69 H66 Cd4 N12 O29 -","- C414 H396 Cd24 N72 O174 -","6","0.333333","","Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian","Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices","Chemical Communications (Cambridge, United Kingdom)","2015","51","91","16331","16333","10.1039/c5cc06501a","","","0.71073","MoKα","","0.0612","0.0455","","","0.1133","0.1229","","","","","","0.955","","","","has coordinates","210891","2020-10-21","18:00:00",""
"7118049","26.8706","0.0005","26.8706","0.0005","20.9","0.0008","90","","90","","120","","13068.7","0.6","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C69 H66 Cd4 N12 O29 -","- C69 H66 Cd4 N12 O29 -","- C414 H396 Cd24 N72 O174 -","6","0.333333","","Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian","Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices","Chemical Communications (Cambridge, United Kingdom)","2015","51","91","16331","16333","10.1039/c5cc06501a","","","0.71073","MoKα","","0.0785","0.0545","","","0.1206","0.1319","","","","","","1.004","","","","has coordinates","210891","2020-10-21","18:00:00",""
"7122947","18.4169","0.0017","18.4169","0.0017","18.1996","0.0017","90","","90","","120","","5346","0.9","88","2","88","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C36 H90 K N5 O6 Si6 U -","- C36 H90 K N5 O6 Si6 U -","- C108 H270 K3 N15 O18 Si18 U3 -","3","0.166667","","Ryan, Austin J.; Angadol, Mary A.; Ziller, Joseph W.; Evans, William J.","Isolation of U(ii) compounds using strong donor ligands, C5Me4H and N(SiMe3)2, including a three-coordinate U(ii) complex","Chemical Communications","2019","","","","","10.1039/C8CC08767A","","","0.71073","MoKα","","0.0266","0.0238","","","0.0583","0.059","","","","","","1.049","","","","has coordinates,has disorder","213518","2020-10-21","18:00:00",""
"7123431","16.3765","0.0004","16.3765","0.0004","61.2246","0.0015","90","","90","","120","","14220","0.6","173","2","173","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C84 H84 N12 -","- C84 H84 N12 -","- C504 H504 N72 -","6","0.333333","","Wang, Fei; Sikma, Eric; Duan, Zhiming; Sarma, Tridib; Lei, Chuanhu; Zhang, Zhan; Humphrey, Simon M.; Sessler, Jonathan L.","Shape-persistent pyrrole-based covalent organic cages: synthesis, structure and selective gas adsorption properties","Chemical Communications","2019","","","","","10.1039/C9CC02490E","","","1.54184","CuKα","","0.1035","0.0806","","","0.2201","0.2339","","","","","","0.991","","","","has coordinates","215119","2020-10-21","18:00:00",""
"7126211","16.9429","0.0013","16.9429","0.0013","23.233","0.002","90","","90","","120","","5775.8","0.8","116","2","116","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C53 H126 Fe9 N6 O6 -","- C48 H114 Fe9 N6 O6 -","- C144 H342 Fe27 N18 O18 -","3","0.166667","","Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B.","Self-assembly of an organometallic Fe<sub>9</sub>O<sub>6</sub> cluster from aerobic oxidation of (tmeda)Fe(CH<sub>2</sub><sup>t</sup>Bu)<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","37","4994","4997","10.1039/d0cc00011f","","","0.71073","MoKα","","0.0403","0.0274","","","0.0483","0.0519","","","","","","0.972","","","","has coordinates","252689","2020-10-21","18:00:00",""
"7126509","16.2731","0.0005","16.2731","0.0005","66.968","0.003","90","","90","","120","","15358.1","1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C26 H32 La1.11 N4.67 O14.17 -","- C26 H19 La1.1111 N4.6666 O12.3331 -","- C468 H342 La19.9998 N83.9988 O221.996 -","18","1","","Wang, Shanshan; Li, Shuning; Xiong, Junyu; Lin, Zhengguo; Wei, Wei; Xu, Yanqing","Near-infrared photothermal conversion of stable radicals photoinduced from a viologen-based coordination polymer.","Chemical communications (Cambridge, England)","2020","56","54","7399","7402","10.1039/d0cc02193h","","","0.71073","MoKα","","0.0499","0.046","","","0.1265","0.1287","","","","","","1.041","","","","has coordinates,has disorder","254916","2020-10-21","18:00:00",""
"7129892","29.659","0.0004","29.659","0.0004","20.6874","0.0012","90","","90","","120","","15759.8","1","100.01","0.1","100.01","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C90 H60 Co2 N27 -","- C90 H60 Co2 N27 -","- C270 H180 Co6 N81 -","3","0.166667","","Feng, Ying; Zou, Ming-Yan; Hu, Hao-Chen; Li, Wan-Han; Cai, Songliang; Zhang, Wei-Guang; Zheng, Sheng-Run","Amorphous metal-organic frameworks obtained from a crystalline precursor for the capture of iodine with high capacities","Chemical Communications","2022","","","","","10.1039/D1CC07229C","","x-ray","1.54178","CuKα","","0.0906","0.0697","","","0.1969","0.2186","","","","","","0.999","","","","has coordinates","274005","2022-03-25","22:54:27",""
"7132786","38.1751","0.0004","38.1751","0.0004","37.5163","0.0006","90","","90","","120","","47349","1","100.01","0.1","100.01","0.1","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C210 H228 Ag3 B F4 N36 O24 -","- C210 H228 Ag3 B F4 N36 O24 -","- C1260 H1368 Ag18 B6 F24 N216 O144 -","6","0.333333","","Bajpayee, Nikhil; Pophali, Salil; Vijayakanth, Thangavel; Nandi, Shyamapada; Desai, Aamod V.; Kumar, Vinod; Jain, Rahul; Bera, Santu; Shimon, Linda J. W.; Misra, Rajkumar","Metal-driven folding and assembly of a minimal β-sheet into a 3D-porous honeycomb framework.","Chemical communications (Cambridge, England)","2024","60","19","2621","2624","10.1039/d3cc05185d","","","1.54184","CuKα","","0.0595","0.0563","","","0.1744","0.1778","","","","","","1.095","","","","has coordinates","290038","2024-03-04","00:12:17",""
"7201035","9.638","0.002","9.638","0.002","27.84","0.007","90","","90","","120","","2239.6","0.9","289","2","293","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Dy F8 Na5 O21 -","- C12 H12 B2 Dy F8 Na5 O21 -","- C36 H36 B6 Dy3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0257","0.0256","","","0.0554","0.0555","","","","","","1.101","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201036","9.6578","0.0015","9.6578","0.0015","27.923","0.005","90","","90","","120","","2255.5","0.6","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-erbium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-erbium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Er F8 Na5 O21 -","- C12 H12 B2 Er F8 Na5 O21 -","- C36 H36 B6 Er3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0163","0.0149","","","0.0403","0.0691","","","","","","1.428","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201037","9.71","0.002","9.71","0.002","28.17","0.006","90","","90","","120","","2300.1","0.8","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 F8 Na5 O21 Pr -","- C12 H12 B2 F8 Na5 O21 Pr -","- C36 H36 B6 F24 Na15 O63 Pr3 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0321","0.032","","","0.0769","0.0772","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206832","11.63262","0.00009","11.63262","0.00009","39.8175","0.0003","90","","90","","120","","4666.16","0.06","173","2","173","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H42.17 N6 O8.58 S Zn -","- C24 H39 N6 O8.58 S Zn -","- C144 H234 N36 O51.48 S6 Zn6 -","6","0.333333","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0324","0.0324","","","0.0928","0.0928","","","","","","1.038","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7207155","12.472","0.002","12.472","0.002","19.703","0.003","90","","90","","120","","2654.2","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.83 Eu N2 O8.41 -","- C6 H7.828 Eu N2 O8.414 -","- C54 H70.452 Eu9 N18 O75.726 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0137","0.0135","","","0.0329","0.033","","","","","","1.04","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207156","12.439","0.0009","12.439","0.0009","19.67","0.0015","90","","90","","120","","2635.8","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.04 Gd N2 O8.52 -","- C6 H8.036 Gd N2 O8.51867 -","- C54 H72.324 Gd9 N18 O76.668 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0338","0.0339","","","","","","1.017","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207157","12.404","0.001","12.404","0.001","19.6075","0.0016","90","","90","","120","","2612.6","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.06 N2 O8.53 Tb -","- C6 H8.064 N2 O8.532 Tb -","- C54 H72.576 N18 O76.788 Tb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0123","0.0122","","","0.0303","0.0303","","","","","","1.068","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207158","12.359","0.002","12.359","0.002","19.602","0.003","90","","90","","120","","2593","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8 Dy N2 O8.5 -","- C6 H8.008 Dy N2 O8.504 -","- C54 H72.072 Dy9 N18 O76.536 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0126","0.0125","","","0.0291","0.0291","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207159","12.2943","0.0008","12.2943","0.0008","19.556","0.003","90","","90","","120","","2559.9","0.5","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.57 Er N2 O8.79 -","- C6 H8.572 Er N2 O8.78667 -","- C54 H77.148 Er9 N18 O79.08 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0167","0.0166","","","0.0398","0.0398","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207160","12.2284","0.0016","12.2284","0.0016","19.605","0.005","90","","90","","120","","2538.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.93 N2 O8.46 Yb -","- C6 H7.928 N2 O8.46 Yb -","- C54 H71.352 N18 O76.14 Yb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0195","0.0194","","","0.0454","0.0454","","","","","","1.084","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207161","12.4387","0.0009","12.4387","0.0009","19.6706","0.0015","90","","90","","120","","2635.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.94 Gd N2 O8.47 -","- C6 H7.936 Gd N2 O8.46667 -","- C54 H71.424 Gd9 N18 O76.2 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0615","0.0616","","","","","","1.086","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207586","9.7504","0.0001","9.7504","0.0001","21.2854","0.0015","90","","90","","120","","1752.5","0.13","123","2","123","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-clambda-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]","","- C9 H18 La2 O24 -","- C9 H18 La2 O24 -","- C27 H54 La6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0126","0.0125","","","0.0296","0.0297","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207587","9.7193","0.0014","9.7193","0.0014","21.191","0.004","90","","90","","120","","1733.6","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')cerium(III)]","","- C9 H18 Ce2 O24 -","- C9 H18 Ce2 O24 -","- C27 H54 Ce6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","x-ray","0.71073","MoKα","","0.0133","0.0127","","","0.0358","0.0361","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207588","9.7612","0.0004","9.7612","0.0004","21.3097","0.0009","90","","90","","120","","1758.39","0.13","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')praseodymium(III)]","","- C9 H18 O24 Pr2 -","- C9 H18 O24 Pr2 -","- C27 H54 O72 Pr6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0156","0.0145","","","0.0274","0.0276","","","","","","1.176","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207589","9.6974","0.0001","9.6974","0.0001","20.976","0.0005","90","","90","","120","","1708.3","0.05","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')neodymium(III)]","","- C9 H18 Nd2 O24 -","- C9 H18 Nd2 O24 -","- C27 H54 Nd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.016","0.0146","","","0.0292","0.0296","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207590","9.6396","0.0008","9.6396","0.0008","20.7433","0.0016","90","","90","","120","","1669.3","0.2","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')gadolinium(III)]","","- C9 H18 Gd2 O24 -","- C9 H18 Gd2 O24 -","- C27 H54 Gd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0187","0.0179","","","0.0391","0.0394","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207591","9.5813","0.0002","9.5813","0.0002","20.4715","0.0006","90","","90","","120","","1627.53","0.07","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')erbium(III)]","","- C9 H18 Er2 O24 -","- C9 H18 Er2 O24 -","- C27 H54 Er6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0133","0.0132","","","0.0357","0.0357","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207592","9.5548","0.0001","9.5548","0.0001","20.4006","0.0004","90","","90","","120","","1612.93","0.04","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')ytterbium(III)]","","- C9 H18 O24 Yb2 -","- C9 H18 O24 Yb2 -","- C27 H54 O72 Yb6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0137","0.0132","","","0.0366","0.0367","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208162","18.23","0.0004","18.23","0.0004","17.1118","0.0005","90","","90","","120","","4924.9","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C18 H18 N2 O5 Zn -","- C18 H16 N2 O4 Zn -","- C162 H144 N18 O36 Zn9 -","9","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0847","0.0794","","","0.2133","0.2198","","","","","","1.082","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208247","12.7186","0.0018","12.7186","0.0018","14.914","0.003","90","","90","","120","","2089.3","0.6","153","","153","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K6 Li3 O30 Sc2 -","- B15 K6 Li2.996 O30 Sc2 -","- B45 K18 Li8.988 O90 Sc6 -","3","0.166667","","Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng","K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge","CrystEngComm","2012","14","16","5209","","10.1039/c2ce25304f","","","0.71073","MoKα","","0.0663","0.0607","","","0.0925","0.0946","","","","","","1.399","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7215134","13.2068","0.0019","13.2068","0.0019","14.76","0.003","90","","90","","120","","2229.5","0.6","153","2","153","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B45 K21 O90 Yb8 -","- B45 K21 O90 Yb8.031 -","- B45 K21 O90 Yb8.031 -","1","0.0555556","","Feng, Kai; Yin, Wenlong; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","A novel UV nonlinear optical crystal material: K21Yb8B45O90","CrystEngComm","2013","15","25","5064","","10.1039/c3ce40545a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0412","0.0415","","","","","","0.953","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7221490","9.5008","","9.5008","","12.386","","90","","90","","120","","968.238","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Sr Co0.78 O2.48","","- Co0.78 O2.48 Sr -","- Co0.78 O2.48 Sr -","- Co14.04 O44.64 Sr18 -","18","1","","de la Calle, C.; Alonso, J.A.; Fernandez-Diaz, M.T.","Polymorphism of Ba(1-x) Sr(x) Co O(3-delta) (0 <= x <= 1) perovskites: a thermal and structural study by neutron diffraction","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2008","63","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221688","18.985","0.003","18.985","0.003","68.34","0.014","90","","90","","120","","21332","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_origin","","","- C114 H122 N14 O34 Zn8 -","- C90 H66 N6 O26 Zn8 -","- C540 H396 N36 O156 Zn48 -","6","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.7","synchrotron","","0.0757","0.0551","","","0.1717","0.1835","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221689","19.168","0.003","19.168","0.003","67.695","0.013","90","","90","","120","","21540","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_benzene","","","- C366 H318 N12 O52 Zn16 -","- C198 H150 N12 O52 Zn16 -","- C594 H450 N36 O156 Zn48 -","3","0.166667","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.70001","synchrotron","","0.0685","0.0563","","","0.1711","0.1783","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7227786","43.367","0.006","43.367","0.006","28.09","0.005","90","","90","","120","","45751","12","194.98","0.1","194.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.1291","0.1122","","","0.2798","0.2938","","","","","","1.283","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227787","43.643","0.013","43.643","0.013","28.059","0.013","90","","90","","120","","46284","3","219.98","0.1","219.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.0949","0.074","","","0.1509","0.1618","","","","","","1.181","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227788","43.26","0.016","43.26","0.016","28.104","0.016","90","","90","","120","","45548","4","244.98","0.1","244.98","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","1","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.71073","MoKα","","0.1079","0.0812","","","0.1846","0.2034","","","","","","0.995","","","","has coordinates","204138","2020-10-21","18:00:00",""
"7227855","31.812","0.0009","31.812","0.0009","79.5235","0.0019","90","","90","","120","","69696","3","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C151 H132 Cs0 Cu4 N2 O20 -","- C151 H115 Cu4 N2 O20 -","- C2718 H2070 Cu72 N36 O360 -","18","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","1.5418","CuKα","","0.1495","0.1134","","","0.3136","0.3466","","","","","","1.224","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7231034","17.079","0.0013","17.079","0.0013","17.9429","0.0016","90","","90","","120","","4532.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C65 H66 Co N12 O8 -","- C57 H36 Co N12 O4 -","- C171 H108 Co3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0612","0.0506","","","0.133","0.1468","","","","","","1.044","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231037","17.0059","0.0002","17.0059","0.0002","17.2491","0.0002","90","","90","","120","","4320.13","0.09","150","0.1","150","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C57 H44 Fe N12 O5 -","- C57 H39 Fe N12 O4 -","- C171 H117 Fe3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.038","0.0378","","","0.1089","0.1092","","","","","","1.088","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231532","12.8523","0.0004","12.8523","0.0004","45.7558","0.0017","90","","90","","120","","6545.4","0.4","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","Sodium cerium iminodiacetato biphenyl dicarboxylate","Sodium cerium iminodiacetato biphenyl dicarboxylate","","- C54 H36 Ce3 N3 Na3 O28 -","- C54 H36 Ce3 N3 Na3 O28 -","- C162 H108 Ce9 N9 Na9 O84 -","3","0.166667","","Maity, Rahul; Chakraborty, Debanjan; Nandi, Shyamapada; Rinku, Kushwaha; Vaidhyanathan, Ramanathan","Microporous mixed-metal mixed-ligand metal organic framework for selective CO2 capture","CrystEngComm","2018","20","39","6088","","10.1039/C8CE00752G","","","1.54178","CuKα","","0.0359","0.0357","","","0.1199","0.12","","","","","","1.193","","","","has coordinates","228984","2020-10-21","18:00:00",""
"7234242","20.8647","0.0011","20.8647","0.0011","16.3866","0.001","90","","90","","120","","6177.9","0.6","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H57 Mo12 N8 O63.5 Te2 -","- C24 H27 Mo12 N8.01 O69 Te2 -","- C72 H81 Mo36 N24.03 O207 Te6 -","3","0.166667","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0505","0.0483","","","0.1332","0.1359","","","","","","1.062","","","","has coordinates,has disorder","218930","2020-10-21","18:00:00",""
"7238822","18.5676","0.0007","18.5676","0.0007","52.205","0.003","90","","90","","120","","15586.7","1.2","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C18 H7 Cl Cu N0 O6 -","- C18 H7 Cl Cu O6 -","- C324 H126 Cl18 Cu18 O108 -","18","1","","He, Yabing; Xiang, Shengchang; Zhang, Zhangjing; Xiong, Shunshun; Wu, Chuande; Zhou, Wei; Yildirim, Taner; Krishna, Rajamani; Chen, Banglin","A microporous metal‒organic framework assembled from an aromatic tetracarboxylate for H2 purification","Journal of Materials Chemistry A","2013","1","7","2543","","10.1039/c2ta01260j","","","1.54178","CuKα","","0.0962","0.0715","","","0.1895","0.2237","","","","","","0.975","","","","has coordinates","244386","2020-10-21","18:00:00",""
"7242183","10.0469","0.001","10.0469","0.001","17.318","0.0017","90","","90","","120","","1513.9","0.3","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C8 H24 N10 O8 S2 -","- C7.9998 H24 N10.0002 O8 S2 -","- C23.9994 H72 N30.0006 O24 S6 -","3","0.166667","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0265","0.0257","","","0.0629","0.0632","","","","","","1.091","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7243561","11.1487","0.0004","11.1487","0.0004","20.6785","0.0015","90","","90","","120","","2225.9","0.2","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B12 H12 Na O27 Rb5 -","- B12 H12 Na O27 Rb4.9998 -","- B36 H36 Na3 O81 Rb14.9994 -","3","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0266","0.0254","","","0.0678","0.0683","","","","","","1.125","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7701637","10.628","0.003","10.628","0.003","12.506","0.003","90","","90","","120","","1223.4","0.6","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C12 H25 Cl3 Mn N4 -","- C12 H25 Cl3 Mn N4 -","- C36 H75 Cl9 Mn3 N12 -","3","0.166667","","Hay, Moya A.; Sarkar, Arup; Marriott, Katie E. R.; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Investigation of the magnetic anisotropy in a series of trigonal bipyramidal Mn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15480","15486","10.1039/c9dt02187f","","","0.71075","MoKα","","0.0225","0.0221","","","0.0516","0.0518","","","","","","1.06","","","","has coordinates","223324","2020-10-21","18:00:00",""
"7702774","15.1559","0.0001","15.1559","0.0001","37.363","0.0007","90","","90","","120","","7432.52","0.16","183","2","183","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C36 H68 Cu3 N3 O20.5 -","- C36 H68.01 Cu3 N3 O20.5 -","- C216 H408.06 Cu18 N18 O123 -","6","0.333333","","López-Sandoval, Horacio; Contreras, Rosalinda; Escuer, Albert; Vicente, Ramon; Bernès, Sylvain; Nöth, Heinrich; Jeffery Leigh, G.; Barba-Behrens, Noráh","Synthesis, crystal structure and magnetic properties of the triangulo-tricopper(ii) complex [Cu3(cpse)3(H2O)3]·8.5H2O","Journal of the Chemical Society, Dalton Transactions","2002","","13","2648","","10.1039/b110915b","","x-ray","0.71073","MoKα","","0.034","0.0274","","","0.0629","0.0661","","","","","","1.023","","","","has coordinates","244011","2020-10-21","18:00:00",""
"7706272","18.0487","0.0005","18.0487","0.0005","36.3959","0.0011","90","","90","","120","","10267.7","0.5","150","2","150","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C19 H23 Cu N3 O9 -","- C14 H6 Cu N O7 -","- C252 H108 Cu18 N18 O126 -","18","1","","Jiang, Zhenzhen; Fan, Lihui; Zhou, Ping; Xu, Tingting; Chen, Jingxian; Hu, Simin; Chen, De-Li; He, Yabing","An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate framework for the selective capture of C<sub>2</sub>H<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15672","15681","10.1039/d0dt03067h","","","0.71073","MoKα","","0.0263","0.0241","","","0.0669","0.0682","","","","","","1.004","","","","has coordinates","260514","2021-01-05","07:28:33",""
"7712350","13.3256","0.001","13.3256","0.001","14.8199","0.0016","90","","90","","120","","2279","0.3","296.15","","296.15","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 O30 Rb7 Sc2 Sr -","- B15 O30 Rb7 Sc2 Sr -","- B45 O90 Rb21 Sc6 Sr3 -","3","0.166667","","Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong","Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges","Dalton Transactions","2023","","","","","10.1039/D3DT00197K","","","0.71073","MoKα","","0.1084","0.0611","","","0.1575","0.1772","","","","","","1.062","","","","has coordinates","281082","2023-02-22","09:07:08",""
"7712351","13.3114","0.001","13.3114","0.001","14.5992","0.0016","90","","90","","120","","2240.3","0.3","296.15","","296.15","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 Ca O30 Rb7 Sc2 -","- B15 Ca O30 Rb7 Sc2 -","- B45 Ca3 O90 Rb21 Sc6 -","3","0.166667","","Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong","Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges","Dalton Transactions","2023","","","","","10.1039/D3DT00197K","","","0.71073","MoKα","","0.1145","0.0508","","","0.0844","0.0974","","","","","","1.025","","","","has coordinates","281082","2023-02-22","09:07:17",""
"7713419","13.0893","0.0003","13.0893","0.0003","15.2379","0.0006","90","","90","","120","","2260.94","0.12","273.15","","273.15","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K7 Lu2 O30 Pb -","- B15 K7 Lu2 O30 Pb -","- B45 K21 Lu6 O90 Pb3 -","3","0.166667","","Liu, Juhe; Chen, Yuwei; Sun, Mengran; Liu, Wenhao; Meng, Xianghe; Yao, Jiyong","Synthesis and characterization of a new rare earth borate nonlinear optical crystal K<sub>7</sub>PbLu<sub>2</sub>B<sub>15</sub>O<sub>30</sub>.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01740k","","","0.71073","MoKα","","0.0258","0.0218","","","0.0511","0.0516","","","","","","1.17","","","","has coordinates","285127","2023-07-10","22:48:45",""
"7714461","32.5504","0.0006","32.5504","0.0006","40.8188","0.0013","90","","90","","120","","37454.5","1.5","193.15","","193.15","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","HIAM-4034","","- C86 H75 N9 O35 S3 Zr6 -","- C86 H75 N9 O35 S3 Zr6 -","- C774 H675 N81 O315 S27 Zr54 -","9","0.5","","Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan","Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks","Dalton Transactions","2023","","","","","10.1039/D3DT03348A","","","1.34139","GaKα","","0.0736","0.0481","","","0.1206","0.1336","","","","","","0.982","","","","has coordinates,has disorder","287598","2023-11-14","23:55:35",""
"7717288","9.2986","0.0002","9.2986","0.0002","7.2542","0.0002","90","","90","","120","","543.19","0.02","220","","220","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Al3 B4 O12 Tb -","- Al3 B4 O12 Tb -","- Al9 B12 O36 Tb3 -","3","0.166667","","Kuznetsov, Artem B.; Jamous, A. Y.; Rakhmanova, Marianna I.; Simonova, Ekaterina; Svetlichnyi, Valery; Kokh, Alexander E.; Yudin, V. N.; Solodovnikov, Sergey F.; Shevchenko, Vyacheslav; Kokh, Konstantin A.","Nonstoichiometry as a hidden aspect of TbAl3(BO3)4 optical properties","Dalton Transactions","2024","","","","","10.1039/D4DT02695K","","","0.71073","MoKα","","0.0094","0.0094","","","0.0219","0.0219","","","","","","1.1","","","","has coordinates","295613","2024-10-24","22:52:15",""
"8103392","14.488","","14.488","","17.7219","","90","","90","","120","","3221.5","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Na Ag Ga6 Te10","","- Ag Ga6 Na Te10 -","- Ag0.998 Ga5.979 Na0.987 Te9.964 -","- Ag5.988 Ga35.874 Na5.922 Te59.784 -","6","0.333333","","Deiseroth, H.J.; Kienle, L.","Crystal structure of silver sodium hexagallium decatelluride, NaAgGa~6~Te~10~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","1","19","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103477","4.427","","4.427","","18.744","","90","","90","","120","","318.135","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","K Be2 (B O3) F2","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B3 Be6 F6 K3 O9 -","3","0.166667","","Chen, C.; Wu, B.; Mei, L.; Huang, X.; Wu, Q.; Wang, Y.","Crystal structure of K Be2 B O3 F2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","93","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103817","10.708","","10.708","","60.073","","90","","90","","120","","5965.22","","","","","","","","","","","","","12","R 3 2 :H","R 3 2""","155","","(Ba6.68 K2.74 Na1.50 Ca0.72) (Ce2.95 Fe0.55 Th0.35) (Ti4.92 Nb0.6) (Si6 O18)4 (O H)8.6 (H2 O)7.9","","- Ba6.68 Ca0.72 Ce2.95 Fe0.55 H24.4 K2.74 Na1.5 Nb0.6 O88.5 Si24 Th0.35 Ti4.92 -","- Ba6.68 Ca0.72 Ce2.95 Fe0.55 K2.74 Na1.5 Nb0.6 O88.5 Si24.006 Th0.35 Ti4.92 -","- Ba20.04 Ca2.16 Ce8.85 Fe1.65 K8.22 Na4.5 Nb1.8 O265.5 Si72.018 Th1.05 Ti14.76 -","3","0.166667","","Krivovichev, S.V.; Yakovenchuk, V.N.; Armbruster, T.; Pakhomovskii, Ya.A.; Depmeier, W.","Crystal structure of the K, Ti analogue of ilimausite-(Ce), (Ba, K,Na, Ca)11-12 (REE, Fe, Th)4 (Ti, Nb)6 (Si6 O18)4 (O H)12 * 4.5(H2 O): revision of structure model and structural formula","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","392","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104025","14.42","","14.42","","17.64999","","90","","90","","120","","3178.38","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Ca Ga6 Te10 -","- Ca1.00005 Ga6 Te10 -","- Ca6.0003 Ga36 Te60 -","6","0.333333","","Cenzual, K.; Penzo, M.; Gelato, M.N.; Parthe, E.","Overlooked trigonal symmetry in structures reported with monoclinic centered Bravais lattices; trigonal description of Li8 Pb3, Pt Te, Pt3 Te4, Pt2 Te3, Li Fe6 Ge4, Li Fe6 Ge5, Ca Ga6 Te10 and La3.266 Mn1.1 S6","Zeitschrift fuer Kristallographie (149,1979-)","1990","193","","217","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104084","14.323","","14.323","","17.855","","90","","90","","120","","3172.19","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","","","- Ga7 Te10 -","- Ga7 Te10 -","- Ga42 Te60 -","6","0.333333","","Deiseroth, H.J.; Mueller, H.D.","Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","57","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104085","14.873","","14.873","","18.91","","90","","90","","120","","3622.59","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","","","- In7 Te10 -","- In7 Te10 -","- In42 Te60 -","6","0.333333","","Deiseroth, H.J.; Mueller, H.D.","Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","57","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104129","14.58","","14.58","","17.761","","90","","90","","120","","3269.74","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Na Ga3 Te5","","- Ga3 Na Te5 -","- Ga3 Na Te5 -","- Ga36 Na12 Te60 -","12","0.666667","","Kienle, L.; Deiseroth, H.J.","Crystal structure of sodium trigallium pentatelluride, Na Ga3 Te5","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","629","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104180","6.9514","","6.9514","","24.7739","","90","","90","","120","","1036.74","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(N H4)4 (Rh Cl6) (N O3)","","- Cl6 H16 N5 O3 Rh -","- Cl6 H16 N5 O3 Rh -","- Cl18 H48 N15 O9 Rh3 -","3","0.166667","","Reiss, G.J.","A reinvestigation of Wilm's salt, (N H4)4 (Rh Cl6) N O3 - structure, spectrocopy and thermal analysis","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","550","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000312","11.09","","11.09","","21.07","","90","","90","","120","","2244.18","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","Tincalconite","- B2 H5 Na O6 -","- B2 H5 Na O6 -","- B36 H90 Na18 O108 -","18","1","","Giacovazzo, C.; Menchetti, S.; Scordari, F.","The crystal structure of tincalconite","American Mineralogist","1973","58","","523","530","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:15",""
"9002675","11.1402","","11.1402","","21.207","","90","","90","","120","","2279.27","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","Tincalconite","- B4 H8.667 Na2 O11.667 -","- B4 H8.66668 Na2 O11.6667 -","- B36 H78.0001 Na18 O105 -","9","0.5","","Luck, R. L.; Wang, G.","On the nature of tincalconite","American Mineralogist","2002","87","","350","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9004846","10.77","","10.77","","61.05","","90","","90","","120","","6132.64","","","","","","","","","","","","","12","R 3 2 :H","R 3 2""","155","","","Ilimaussite-(Ce)","- Ba7.9 Ce3.7 Fe1.6 H28 K3.42 Na5.82 Nb3.72 O88 Si21 Sr0.1 Th0.3 Ti1.98 -","- Ba7.90002 Ce3.70001 Fe1.59999 H28 K3.42 Na5.82 Nb3.72 O88 Si21 Sr0.1 Th0.3 Ti1.98 -","- Ba23.7001 Ce11.1 Fe4.79997 H84 K10.26 Na17.46 Nb11.16 O264 Si63 Sr0.3 Th0.9 Ti5.94 -","3","0.166667","","Ferraris, G.; Gula, A.; Zubkova, N. V.; Pushcharovsky, D. Y.; Gobetchiya, E. R.; Pekov, I. V.; Eldjarn, K.","The crystal structure of ilimaussite-(Ce), (Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6, and the ""ilimaussite"" problem","The Canadian Mineralogist","2004","42","","787","795","10.2113/gscanmin.42.3.787","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9009550","10.556","","10.556","","15.855","","90","","90","","120","","1530.02","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","Hilairite","- H12 Na3.634 O24 Si6 Zr2 -","- H12 Na3.634 O24 Si6 Zr2 -","- H36 Na10.902 O72 Si18 Zr6 -","3","0.166667","","Ilyushin, G. D.; Voronkov, A. A.; Nevskii, N. N.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of hilairite, Na2ZrSi3O9*3H2O","Doklady Akademii Nauk SSSR","1981","260","","1118","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009557","10.526","","10.526","","15.736","","90","","90","","120","","1509.91","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","Komkovite","- Ba H4.5 O11.43 Si3 Zr -","- Ba H4.86 O11.43 Si3 Zr -","- Ba6 H29.16 O68.58 Si18 Zr6 -","6","0.333333","","Sokolova, E. V.; Araktscheeva, A. V.; Voloshin, A. V.","Crystal structure of komkovite","Doklady Akademii Nauk SSSR","1991","320","","1384","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009804","10.018","","10.018","","44.03","","90","","90","","120","","3826.85","","","","","","","","","","","","Synthetic","4","R 3 2 :H","R 3 2""","155","","","Abhurite","- Cl16 H14 O20 Sn21 -","- Cl16 H14 O20 Sn21 -","- Cl48 H42 O60 Sn63 -","3","0.166667","","Schnering, H. G.; Nesper, R.; Pelshenke, H.","Sn21Cl16(OH)14O6, das sogenannte basische zinn(II)-clorid","Zeitschrift fur Naturforschung B","1981","36","","1551","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009935","5.017","","5.017","","16.77","","90","","90","","120","","365.554","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","Norsethite","- C2 Ba Mg O6 -","- C2 Ba Mg O6 -","- C6 Ba3 Mg3 O18 -","3","0.166667","","Lippmann, F.","Die kristallstruktur des norsethit, BaMg(CO3)2, im vergleich zum dolomit, CaMg(CO3)2","Naturwissenschaften","1967","54","","514","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9011459","5.022","","5.022","","16.77","","90","","90","","120","","366.283","","","","","","","","","","","","Synthetic","4","R 3 2 :H","R 3 2""","155","","","Norsethite","- C2 Ba Mg O6 -","- C2 Ba Mg O6 -","- C6 Ba3 Mg3 O18 -","3","0.166667","","Effenberger, H.; Zemann, J.","Single crystal X-Ray investigation of norsethite, BaMg(CO3)2: one more mineral with an aplanar carbonate group Sample: Model 2","Zeitschrift fur Kristallographie","1985","171","","275","280","10.1524/zkri.1985.171.3-4.275","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011777","10.825","","10.825","","15.809","","90","","90","","120","","1604.32","","","","","","","","","","","","","11","R 3 2 :H","R 3 2""","155","","","Sazykinaite-(Y)","- Dy0.1 Gd0.1 H12 K0.6 Na4.4 Nb0.1 O24 Si6 Ti0.2 Y0.8 Zr0.7 -","- Dy0.1 Gd0.1 H12 K0.6 Na4.4 Nb0.1 O24 Si6 Ti0.2 Y0.8 Zr0.7 -","- Dy0.3 Gd0.3 H36 K1.8 Na13.2 Nb0.3 O72 Si18 Ti0.6 Y2.4 Zr2.1 -","3","0.166667","","Rastsvetaeva, R. K.; Khomyakov, A. P.","Crystal structure of a rare earth analog of hilairite","Kristallografiya","1992","37","","1561","1563","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012654","10.498","","10.498","","7.975","","90","","90","","120","","761.157","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","6","R 3 2 :H","R 3 2""","155","","","Calciohilairite","- Ca0.333 H4 Na0.333 O11 Si3 Zr -","- Ca0.33334 H5.00001 Na0.33334 O11 Si3 Zr -","- Ca1.00002 H15 Na1.00002 O33 Si9 Zr3 -","3","0.166667","","Pushcharovsky, D. Y.; Pekov, I. V.; Pasero, M.; Gobechiya, E. R.; Merlino, S.; Zubkova, N. V.","Crystal structure of cation-deficient calciohilairite and possible mechanisms of decationization in mixed-framework minerals Locality: Lovozero massif, Kola Peninsula, Russia","Crystallography Reports","2002","47","","748","752","10.1134/1.1509388","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9012744","10.696","","10.696","","15.728","","90","","90","","120","","1558.29","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","9","R 3 2 :H","R 3 2""","155","","","Pyatenkoite-(Y)","- Dy0.3 Gd0.2 H12 Na5 Nb0.2 O24 Si6 Ti0.8 Y0.5 -","- Dy0.3 Gd0.2 H12 Na5 Nb0.2 O24 Si6 Ti0.8 Y0.5 -","- Dy0.9 Gd0.6 H36 Na15 Nb0.6 O72 Si18 Ti2.4 Y1.5 -","3","0.166667","","Rastsvetaeva, R. K.; Khomyakov, A. P.","Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the hilairite group: crystal structure","Doklady Chemistry","1996","351","","283","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012820","10.526","","10.526","","15.736","","90","","90","","120","","1509.91","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","Komkovite","- Ba H6 O11.43 Si3 Zr -","- Ba H4.86 O11.43 Si3 Zr -","- Ba6 H29.16 O68.58 Si18 Zr6 -","6","0.333333","","Sokolova, E. V.; Arakcheeva, A. V.; Voloshin, A. V.","Crystal structure of komkovite","Soviet Physics Doklady","1991","36","","666","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9016358","12.877","","12.877","","95.244","","90","","90","","120","","13677.2","","","","","","","","","","","","Valle Biachella, Sacrofano community (Rome, Latium, Italy)","8","R 3 2 :H","R 3 2""","155","","","Kircherite","- Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 -","- Al36 Ca7.004 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 -","- Al108 Ca21.012 H11.28 K37.908 Na90.696 O509.742 S43.968 Si108 -","3","0.166667","","Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A.","Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure","American Mineralogist","2012","97","","1494","1504","10.2138/am.2012.4033","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""