# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T16:37:00+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R -3 :H' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000243","5.4201","0.0008","5.4201","0.0008","14.072","0.002","90","","90","","120","","358","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Iron hexafluoroniobate(IV)","","- F6 Fe Nb -","- F6 Fe Nb -","- F18 Fe3 Nb3 -","3","0.166667","","Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G","Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~","Journal of Magnetism and Magnetic Materials","1988","74","","165","176","10.1016/0304-8853(88)90064-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000244","5.3942","0.0007","5.3942","0.0007","14.1457","0.0023","90","","90","","120","","356.5","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Iron hexafluoroniobate(IV)","","- F6 Fe Nb -","- F6 Fe Nb -","- F18 Fe3 Nb3 -","3","0.166667","","Delobbe, V; Chassaing, J; Bizot, D; Quarton, M; Lacorre, P; Calage, Y; Leblanc, M; Ferey, G","Fluorocomplexes of Niobium IV; VI: Moessbauer study and magnetic structure of Fe Nb F~6~","Journal of Magnetism and Magnetic Materials","1988","74","","165","176","10.1016/0304-8853(88)90064-9","","","","","","0.0373","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000354","12.9399","0.0008","12.9399","0.0008","7.1275","0.0003","90","","90","","120","","1033.5","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Copper iron vanadium oxide (6/0.9/6/19)","","- Cu6 Fe0.9 O19 V6 -","- Cu6 Fe0.9 O19 V6 -","- Cu18 Fe2.7 O57 V18 -","3","0.166667","","Permer, L; Laligant, Y; Ferey, G; Calage, Y","Crystal structure, magnetic, and Moessbauer studies of Cu~6~Fe~0.9~V~6~O~19~: a compound with relaxation effect","Journal of Solid State Chemistry","1993","107","","539","546","10.1006/jssc.1993.1379","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000466","9.826","0.002","9.826","0.002","10.106","0.002","90","","90","","120","","845","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaaquairon hexafluorostannate","","- F6 Fe H12 O6 Sn -","- F6 Fe H12 O6 Sn -","- F18 Fe3 H36 O18 Sn3 -","3","0.166667","","Benghalem, A; Leblanc, M; Calage, Y","Room-temperature structure of iron(II) hexafluorostannate(IV) hexahydrate","Acta Crystallographica C (39,1983-)","1990","46","","2453","2454","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000500","17.0051","0.0002","17.0051","0.0002","6.8607","0.0001","90","","90","","120","","1718.1","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lanthanum molybdenum oxide (7/7/30)","","- La7 Mo7 O30 -","- La7 Mo7 O30 -","- La21 Mo21 O90 -","3","0.166667","","Goutenoire, F; Retoux, R; Suard, E; Lacorre, P","Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","0.0418","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000501","17.00639","0.0002","17.00639","0.0002","6.8613","0.0001","90","","90","","120","","1718.5","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lanthanum molybdenum oxide (7/7/30)","","- La7 Mo7 O30 -","- La7 Mo7 O30 -","- La21 Mo21 O90 -","3","0.166667","","Goutenoire, F; Retoux, R; Suard, E; Lacorre, P","Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction","Journal of Solid State Chemistry","1999","142","","228","235","10.1006/jssc.1998.8070","","","","","","0.0515","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001733","17.545","0.002","17.545","0.002","15.714","0.002","90","","90","","120","","4189.1","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Potassium molybdenum tungsten oxide phosphate(V) (6.6/2.3/3.7/15/4)","","- K6.595 Mo2.34 O31 P4 W3.66 -","- K6.595 Mo2.34 O31 P4 W3.66 -","- K39.57 Mo14.04 O186 P24 W21.96 -","6","0.333333","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36 W3.64 O15 (P O4)4","Journal of Solid State Chemistry","1996","127","","1","8","10.1006/jssc.1996.0349","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004003","13.9117","0.0001","13.9117","0.0001","32.4106","0.0002","90","","90","","120","","5432.23","0.06","163","2","163","2","","","","","","","?","7","R -3 :H","-R 3","148","","","","- C44 H90 F6 O2 P7 S8 W6 -","- C44.04 H90 F5.96 O1.98 P7 S8 W6 -","- C132.12 H270 F17.88 O5.94 P21 S24 W18 -","3","0.166667","","Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo","Synthesis and Characterization of Oxidized W6S8L6 Clusters","Inorganic Chemistry","2001","40","","2660","2665","10.1021/ic001099d","","","0.71073","MoKα","","0.0539","0.0451","","0.0774","0.0755","","","","2.052","2.105","2.105","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"1007068","4.945","0.005","4.945","0.005","23.61","0.02","90","","90","","120","","500","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Barium dinickel arsenate","","- As2 Ba Ni2 O8 -","- As2 Ba Ni2 O8 -","- As6 Ba3 Ni6 O24 -","3","0.166667","","Eymond, S; Durif, A; Martin, C","Structure cristalline du monoarseniate de nickelbaryum: Ba Ni~2~ (As O~4~)~2~","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1969","268","","1694","1696","","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008081","13.807","","13.807","","9.429","","90","","90","","120","","1556.7","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Heptasodium hexazirconium fluoride","","- F31 Na7 Zr6 -","- F31 Na7 Zr6 -","- F93 Na21 Zr18 -","3","0.166667","","Burns, J H; Ellison, R D; Levy, H A","The crystal structure of Na~7~ Zr~6~ F~31~","Acta Crystallographica B (24,1968-38,1982)","1968","24","","230","237","10.1107/S0567740868002013","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008202","11.16","","11.16","","17.86","","90","","90","","120","","1926.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaammonium cyclo-triphosphate telluric acid","","- H30 N6 O24 P6 Te -","- H30 N6 O24 P6 Te -","- H90 N18 O72 P18 Te3 -","3","0.166667","","Boudjada, N; Boudjada, A; Guitel, J C","Structure du Trimetaphosphate-Tellurate d'Ammonium, 2(N H~4~)~3~ P~3~ O~9~ * Te (O H)~6~","Acta Crystallographica C (39,1983-)","1983","39","","656","658","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008208","6.482","0.005","6.482","0.005","25.664","0.008","90","","90","","120","","933.8","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Bis(potassium iodate) telluric acid","","- H6 I2 K2 O12 Te -","- H6 I2 K2 O12 Te -","- H18 I6 K6 O36 Te3 -","3","0.166667","","Averbuch-Pouchot, M T","Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid","Journal of Solid State Chemistry","1983","49","","368","378","10.1016/S0022-4596(83)80015-2","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","186633","2020-10-21","18:00:00",""
"1008267","10.4414","0.0004","10.4414","0.0004","6.3433","0.0004","90","","90","","120","","598.9","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","CALCIUM HEXAMANGANESE(III) MANGANESE(IV) DODECAOXIDE","","- Ca Mn7 O12 -","- Ca Mn7 O12 -","- Ca3 Mn21 O36 -","3","0.166667","","Bochu, B; Buevoz, J L; Chenavas, J; Collomb, A; Joubert, J C; Marezio, M","Bond lengths in (Ca Mn~3~) (Mn~4~) O~12~. A new Jahn-Teller distortion of Mn^3+^ octahedra","Solid State Communications","1980","36","","133","138","10.1016/0038-1098(80)90668-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008727","8.46","0.01","8.46","0.01","21.87999","0.04","90","","90","","120","","1356.2","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Copper titanium phosphate(V) (0.5/2/3) - HT","","- Cu0.5 O12 P3 Ti2 -","- Cu0.501 O12 P3 Ti2 -","- Cu3.006 O72 P18 Ti12 -","6","0.333333","","Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L","The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3","Advanced Materials Research","1994","1","","177","188","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008794","5.466","0.001","5.466","0.001","13.982","0.002","90","","90","","120","","361.8","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cobalt hexafluorozirconate - LT","","- Co F6 Zr -","- Co F6 Zr -","- Co3 F18 Zr3 -","3","0.166667","","Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L","Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study","Journal of Physics: Condensed Matter","1990","2","","7373","7386","10.1088/0953-8984/2/36/001","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008849","15.047","0.008","15.047","0.008","12.779","0.008","90","","90","","120","","2505.7","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Trilithium tripotassium cyclo-hexaphosphate hydrate","","- H2 K3 Li3 O19 P6 -","- H2 K3 Li3 O19 P6 -","- H12 K18 Li18 O114 P36 -","6","0.333333","","Averbuch-Pouchot, M T","On the existence of two new mixed-alkali cyclohexaphosphates Li3 Na3 P6 O18 (H2 O)12 and Li3 K3 P6 O18 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","225","234","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008850","15.445","0.01","15.445","0.01","7.553","0.007","90","","90","","120","","1560.4","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Hexaammonium cyclo-hexaphosphate(V) hydrate","","- H26 N6 O19 P6 -","- H26 N6 O19 P6 -","- H78 N18 O57 P18 -","3","0.166667","","Averbuch-Pouchot, M T","Structure of ammonium cyclo-hexaphosphate monohydrate","Acta Crystallographica C (39,1983-)","1989","45","","539","540","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1008851","15.056","0.01","15.056","0.01","16.07999","0.01","90","","90","","120","","3156.7","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Tricadmium cyclo-hexaphosphate(V) hexahydrate","","- Cd3 H12 O24 P6 -","- Cd3 H24 O24 P6 -","- Cd18 H144 O144 P36 -","6","0.333333","","Averbuch-Pouchot, M T","Crystal structure of cadmium cyclohexaphosphate hexahydrate: Cd3 P6 O18 (H2 O)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","570","","138","144","10.1002/zaac.19895700114","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008854","15.172","0.005","15.172","0.005","13.994","0.005","90","","90","","120","","2789.7","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Trisilver triammonium cyclo-hexaphosphate(V) hydrate","","- Ag3 H14 N3 O19 P6 -","- Ag3 H26.3335 N3 O19 P6 -","- Ag18 H158.001 N18 O114 P36 -","6","0.333333","","Averbuch-Pouchot, M T","Crystal chemistry of cyclo-hexaphosphates. XIV.Structure of silver ammonium cyclo-hexaphosphate monohydrate","Acta Crystallographica C (39,1983-)","1991","47","","930","932","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008859","15.854","0.009","15.854","0.009","51.26","0.02","90","","90","","120","","11158","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Guanidinium cyclo-dodecaphosphate - telluric acid - water (1/12/24)","","- C12 H192 N36 O132 P12 Te12 -","- C12 H192 N36 O132 P12 Te12 -","- C36 H576 N108 O396 P36 Te36 -","3","0.166667","","Averbuch-Pouchot, M. T.; Schülke, U.","Preparation and crystal structure of guanidinium cyclododecaphosphate telluric acid hydrate: (C (N H2)3)12 P12 O36. 12Te (O H)6 . 24H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1997","2002","10.1002/zaac.19966221131","","","","","","0.031","","","","","","","","","","","","","","","has coordinates,has disorder","205555","2020-10-21","18:00:00",""
"1008869","14.807","0.01","14.807","0.01","6.597","0.007","90","","90","","120","","1252.6","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Silver cyclohexaphosphate hydrate","","- Ag6 H2 O19 P6 -","- Ag6 H2.333 O19 P6 -","- Ag18 H6.999 O57 P18 -","3","0.166667","","Averbuch-Pouchot, M T","Crystal data and crystal structure of silver cyclohexaphosphate monohydrate: Ag6 P6 O18 * H2 O","Zeitschrift fuer Kristallographie (149,1979-)","1989","189","","17","23","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100054","5.0205","0.0002","5.0205","0.0002","16.3844","0.0001","90","","90","","120","","357.641","0.001","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Barium Titanium Boron Oxide (1/1/2/6)","","- B2 Ba O6 Ti -","- B2 Ba O6 Ti -","- B6 Ba3 O18 Ti3 -","3","0.166667","","Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D","A structural study of BaTi(BO~3~)~2~","Materials Research Bulletin","2003","38","","783","788","10.1016/S0025-5408(03)00073-4","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","198385","2020-10-21","18:00:00",""
"1100196","30.5918","0.0013","30.5918","0.0013","7.7464","0.001","90","","90","","120","","6278.28","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","1-(2-Hydroxyprop-2-yl)pyrene","","- C19 H16 O -","- C19 H16 O -","- C342 H288 O18 -","18","1","","K.Harms; M.Marsch","","Private Communication","2000","","","","","","","","","","","","5.07","","","5.07","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100397","38.401","0.008","38.401","0.008","8.255","0.003","90","","90","","120","","10542.2","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23.48 H30.12 Cr Mn O P2 -","- C40 H43 Cr Mn O P2 -","- C720 H774 Cr18 Mn18 O18 P36 -","18","1","","Elschenbroich, Christoph; Isenburg, Thomas; Metz, Bernhard; Behrendt, Andreas; Harms, Klaus","Metal π complexes of benzene derivatives: XLIII1. Intramolecular interactions between bis(benzene) chromium and cymantrene units in di- and tri-nuclear species containing PMe~2~ spacers, as studied by CV and EPR","Journal of Organometallic Chemistry","1994","481","2","153","165","10.1016/0022-328x(94)85020-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178080","2020-10-21","18:00:00",""
"1100427","20.799","0.001","20.799","0.001","14.501","0.0007","90","","90","","120","","5432.67","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H108 Li12 O24 -","- C288 H648 Li72 O144 -","- C864 H1944 Li216 O432 -","3","0.166667","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael","[Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid","Chemistry - A European Journal","1996","2","5","604","607","10.1002/chem.19960020521","","","","","","","","","","","","","","","","","","","","","has coordinates","177550","2020-10-21","18:00:00",""
"1100734","26.836","0.004","26.836","0.004","53.305","0.011","90","","90","","120","","33246","10","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C65 H46.33 Cl2 Hg2.17 I4.33 N8 O4.17 -","- C65 H46.34 Cl2 Hg2.16667 I4.33333 N8 O4.16667 -","- C1170 H834.12 Cl36 Hg39 I78 N144 O75 -","18","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.1482","0.0954","","","0.2451","0.2819","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100772","22.2714","0.0016","22.2714","0.0016","9.8838","0.0011","90","","90","","120","","4245.7","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H33 Gd N3 O18 P3 -","- C18 H33 Gd N3 O18 P3 -","- C108 H198 Gd6 N18 O108 P18 -","6","0.333333","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.0627","0.0516","","","0.1502","0.1532","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101113","4.827522","0.000018","4.827522","","24.40002","0.00013","90","","90","","120","","492.458","","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","Iron Ammonium Sulfate","","","- Fe H4 N O8 S2 -","- Fe H4.948 N1.237 O8 S2 -","- Fe3 H14.844 N3.711 O24 S6 -","3","0.166667","","Richard L. Harlow; John M. Novak","","Unpublished","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"1101146","19.9915","0.0002","19.9915","0.0002","18.5028","0.0004","90","","90","","120","","6404.1","0.2","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga13 H96 N15 O105 -","- Ga13 H72 N15 O105 -","- Ga39 H216 N45 O315 -","3","0.166667","","Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes","Inorganic Chemistry","2005","44","12","4133","4135","10.1021/ic0502271","","","","","","","","","","","","","","","","","","","","","has coordinates","209435","2020-10-21","18:00:00",""
"1200014","4.812","0.001","4.812","0.001","16.02","0.003","90","","90","","120","","321.3","","","","","","","","","","","","from Oberdorf, Styria, Austria","4","R -3 :H","-R 3","148","","Calcium magnesium carbonate","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Beran, A.; Zemann, J.","Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite","TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","4","279","286","10.1007/BF01081130","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","208883","2020-10-21","18:00:00",""
"1501994","18.6752","0.0012","18.6752","0.0012","10.6107","0.0009","90","","90","","120","","3204.8","0.4","173","2","173","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C60 H42 -","- C60 H42 -","- C180 H126 -","3","0.166667","","Ehlers, Peter; Neubauer, Antje; Lochbrunner, Stefan; Villinger, Alexander; Langer, Peter","Multiple sonogashira reactions of polychlorinated molecules. Synthesis and photophysical properties of the first pentaalkynylpyridines.","Organic letters","2011","13","7","1618","1621","10.1021/ol2000183","","","0.71073","MoKα","","0.0502","0.0418","","","0.1269","0.1338","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502191","15.6","0.002","15.6","0.002","33.184","0.007","90","","90","","120","","6993.7","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H42 N4 O4.5 -","- C60 H42 N4 O4.5 -","- C360 H252 N24 O27 -","6","0.333333","","Zhou, Ying; Jung, Ji Young; Jeon, Hye Ryeong; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung","A novel supermolecular tetrameric vanadate-selective colorimetric and ""off-on"" sensor with pyrene ligand.","Organic letters","2011","13","10","2742","2745","10.1021/ol200846a","","","0.71073","MoKα","","0.202","0.1018","","","0.3049","0.3796","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502217","21.881","0.003","21.881","0.003","21.626","0.003","90","","90","","120","","8967","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H32 O2 Si -","- C18 H32 O2 Si -","- C324 H576 O36 Si18 -","18","1","","Lu, Yin-Suo; Peng, Xiao-Shui","A concise construction of the chlorahololide heptacyclic core.","Organic letters","2011","13","11","2940","2943","10.1021/ol2009973","","","0.71073","MoKα","","0.1242","0.0902","","","0.2521","0.2916","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502305","22.5627","0.0001","22.5627","0.0001","43.5749","0.0005","90","","90","","120","","19211","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C155 H135 Cl9 O2 S6 -","- C154.98 H135 Cl9 O1.99 S6 -","- C929.88 H810 Cl54 O11.94 S36 -","6","0.333333","","Chen, Jia-Hong; Wang, Shao-An; Liu, Yi-Hung; Wong, Ken-Tsung","Synthesis and properties of novel C3-symmetric coplanar chromophores.","Organic letters","2011","13","16","4168","4171","10.1021/ol201466z","","","1.54178","CuKα","","0.085","0.0642","","","0.1852","0.2016","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502429","29.2867","0.0013","29.2867","0.0013","10.8321","0.0005","90","","90","","120","","8046.1","0.6","566","2","566","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H17 N O -","- C24 H17 N O -","- C432 H306 N18 O18 -","18","1","","Hong, Deng; Zhu, Yuanxun; Li, Yao; Lin, Xufeng; Lu, Ping; Wang, Yanguang","Three-component synthesis of polysubstituted pyrroles from α-diazoketones, nitroalkenes, and amines.","Organic letters","2011","13","17","4668","4671","10.1021/ol201891r","","","1.54184","CuKα","","0.0492","0.0389","","","0.1026","0.1088","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502734","39.1553","0.0007","39.1553","0.0007","11.16743","0.00018","90","","90","","120","","14827.4","0.4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C44 H30 -","- C44 H30 -","- C792 H540 -","18","1","","Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang","Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride","The Journal of Physical Chemistry C","2010","114","43","18702","","10.1021/jp1068126","","","1.54184","CuKα","","0.0602","0.0532","","","0.1655","0.1724","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503095","23.8832","0.0002","23.8832","0.0002","6.3231","0.0001","90","","90","","120","","3123.53","0.06","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C162 H180 O18 -","9","0.5","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0492","0.0424","","","0.1566","0.1683","","","","","","1.359","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503097","22.0572","0.0003","22.0572","0.0003","11.2664","0.0002","90","","90","","120","","4746.97","0.12","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","none","R(S)-2-chlorotetracyclo[7.2.1.0^3,8^.0^4,12^]dodecan-4-ol","","- C12 H17 Cl O -","- C12 H17 Cl O -","- C216 H306 Cl18 O18 -","18","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0291","0.0277","","","0.1395","0.1505","","","","","","0.712","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503139","35.8162","0.0015","35.8162","0.0015","12.6101","0.0005","90","","90","","120","","14009","1","100","2","100","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C31 H40 N2 O5 S Si -","- C31 H40 N2 O5 S Si -","- C558 H720 N36 O90 S18 Si18 -","18","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.07","0.033","","","0.0601","0.0644","","","","","","0.742","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503450","29.161","0.0004","29.161","0.0004","17.6054","0.0003","90","","90","","120","","12965.3","0.3","135","2","135","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C90 H102 N6 Si6 -","- C90 H102 N6 Si6 -","- C540 H612 N36 Si36 -","6","0.333333","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71073","MoKα","","0.1038","0.0582","","","0.1458","0.1769","","","","","","0.945","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503489","23.477","0.003","23.477","0.003","12.0406","0.0013","90","","90","","120","","5747.3","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","6-tosyl-1-oxa-6-azaspiro[3.3]heptan-3-ol","","- C12 H15.67 N O4.33 S -","- C12 H15.6667 N O4.33333 S -","- C216 H282 N18 O78 S18 -","18","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0648","0.0518","","","0.1623","0.1772","","","","","","1.299","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1503498","30.0284","0.0004","30.0284","0.0004","9.5833","0.0002","90","","90","","120","","7483.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C15 H24 O3 Si -","- C15 H24 O3 Si -","- C270 H432 O54 Si18 -","18","1","","Bartoli, Alexandra; Chouraqui, Gaëlle; Parrain, Jean-Luc","Collective domino approach toward the core of molecules isolated from the genus Schisandra.","Organic letters","2012","14","1","122","125","10.1021/ol2029146","","x-ray","0.71073","MoKα","","0.0813","0.0516","","","0.1527","0.1925","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503761","29.9907","0.0003","29.9907","0.0003","9.3564","0.0002","90","","90","","120","","7288.07","0.19","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C306 H360 Br18 N18 O18 -","18","1","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Indium (zinc)-copper-mediated Barbier-type alkylation reaction of nitrones in water: synthesis of amines and hydroxylamines.","Organic letters","2009","11","6","1209","1212","10.1021/ol8027362","","","0.71073","MoKα","","0.0747","0.0589","","","0.1666","0.1732","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503762","29.6684","0.0003","29.6684","0.0003","9.2429","0.0003","90","","90","","120","","7045.7","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C306 H360 Cl18 N18 O18 -","18","1","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Indium (zinc)-copper-mediated Barbier-type alkylation reaction of nitrones in water: synthesis of amines and hydroxylamines.","Organic letters","2009","11","6","1209","1212","10.1021/ol8027362","","","0.71073","MoKα","","0.0599","0.0415","","","0.1074","0.1191","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503813","16.798","0.003","16.798","0.003","66.084","0.017","90","","90","","120","","16149","6","292","2","292","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C63 H51 N -","- C63 H51 N -","- C756 H612 N12 -","12","0.666667","","Jiang, Zuoquan; Chen, Yonghua; Yang, Chuluo; Cao, Yue; Tao, Youtian; Qin, Jingui; Ma, Dongge","A fully diarylmethylene-bridged triphenylamine derivative as novel host for highly efficient green phosphorescent OLEDs.","Organic letters","2009","11","7","1503","1506","10.1021/ol9001152","","","0.71073","MoKα","","0.1099","0.0715","","","0.1707","0.1907","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503826","46.5271","0.0019","46.5271","0.0019","26.061","0.002","90","","90","","120","","48858","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C140.64 H73.28 N4 O -","- C140.64 H73.28 N4 O -","- C2531.52 H1319.04 N72 O18 -","18","1","","Clavaguera, Simon; Khan, Saeed I.; Rubin, Yves","Unexpected de-arylation of a pentaaryl fullerene.","Organic letters","2009","11","6","1389","1391","10.1021/ol900224w","","","0.71073","MoKα","","0.1701","0.0717","","","0.1907","0.2154","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503914","22.3219","0.0004","22.3219","0.0004","12.1112","0.0003","90","","90","","120","","5226.13","0.19","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C216 H270 N18 O36 -","18","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0548","0.0411","","0.1077","0.1007","0.1077","","","","","","0.9521","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504150","28.99","0.002","28.99","0.002","10.1877","0.0007","90","","90","","120","","7414.9","0.9","143","1","143","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C288 H468 N36 O72 -","18","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","3-4'-Bipiperidines via sequential [4 + 4]-[3,3]-retro-Mannich reactions.","Organic letters","2009","11","20","4540","4543","10.1021/ol901743p","","","0.71069","MoKα","","0.0432","0.0372","","","0.1008","0.1053","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504205","21.0561","0.0003","21.0561","0.0003","14.3941","0.0002","90","","90","","120","","5526.77","0.14","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H34 O2.96 -","- C30 H34 O2.954 -","- C270 H306 O26.586 -","9","0.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.045","0.0433","","","0.1127","0.1139","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504271","30.1433","0.0015","30.1433","0.0015","18.809","0.003","90","","90","","120","","14801","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H37 Cl O5 -","- C35.6667 H33 Cl O4.5 -","- C642 H594 Cl18 O81 -","18","1","","Zhu, Zhi-Bin; Shi, Min","Palladium(II) acetate catalyzed tandem cycloisomerization and oxidation of arylvinylcyclopropenes using p-benzoquinone as oxidant and pro-nucleophile.","Organic letters","2009","11","22","5278","5281","10.1021/ol902233r","","","0.71073","MoKα","","0.1447","0.0815","","","0.2467","0.2811","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505779","22.6716","0.0019","22.6716","0.0019","21.944","0.003","90","","90","","120","","9768.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22.33 H24.33 Cl N2 O2 Zn -","- C22.3333 H24.3333 Cl N2 O2 Zn -","- C402 H438 Cl18 N36 O36 Zn18 -","18","1","","Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh","Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands","Macromolecules","2006","39","11","3745","3752","10.1021/ma060471r","","","0.71073","MoKα","","0.0724","0.0517","","","0.1431","0.1622","","","","","","1.095","","","","has coordinates","219203","2020-10-21","18:00:00",""
"1505999","31.7102","0.0011","31.7102","0.0011","9.791","0.0008","90","","90","","120","","8526.2","0.8","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H38 N2 O10 -","- C40 H36 N2 O10 -","- C360 H324 N18 O90 -","9","0.5","","Lavin, Judith M.; Shimizu, Ken D.","Rapid screening of a receptor with molecular memory.","Organic letters","2006","8","11","2389","2392","10.1021/ol060706j","","","0.71073","MoKα","","0.0931","0.0522","","","0.084","0.0933","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506326","28.3013","0.0003","28.3013","0.0004","7.1646","0.0005","90","","90","","120","","4969.8","0.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C162 H306 Cl18 N36 -","18","1","","Andre, M.; Loidl, J.; Laus, G.; Schottenberger, H.; Bentivoglio, G.; Wurst, K.; Ongania, K.-H.","Ionic liquids as advantageous solvents for headspace gas chromatography of compounds with low vapor pressure.","Analytical chemistry","2005","77","2","702","705","10.1021/ac048737k","","","0.71073","MoKα","","0.0643","0.0553","","","0.1551","0.1605","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506743","25.354","0.002","25.354","0.002","18.437","0.002","90","","90","","120","","10263.9","1.6","143","1","143","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H31 Cl N2 O3 -","- C20 H31 Cl N2 O3 -","- C360 H558 Cl18 N36 O54 -","18","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71069","MoKα","","0.0762","0.0707","","","0.198","0.2048","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507040","33.03","0.001","33.03","0.001","56.6","0.003","90","","90","","120","","53477","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C118 H117 Cl N16 O18 -","- C118 H117 Cl N16 O18 -","- C2124 H2106 Cl18 N288 O324 -","18","1","","Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan","Strained aromatic oligoamide macrocycles as new molecular clips.","Organic letters","2004","6","17","2985","2988","10.1021/ol0488643","","","0.71073","MoKα","","0.2166","0.1258","","","0.3308","0.4137","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507279","20.29","0.01","20.29","0.01","24.25","0.03","90","","90","","120","","8646","12","123.1","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H7 Ag F20 N4 O0.5 -","- C44 H7 Ag F20 N4 O0.5 -","- C396 H63 Ag9 F180 N36 O4.5 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.7107","MoKα","","","0.057","","","","0.081","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507280","19.6856","0.001","19.6856","0.001","24.831","0.003","90","","90","","120","","8333.4","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C396 H72 F180 N36 Ni9 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.71073","MoKα","","0.0894","0.0489","","","0.1207","0.1492","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507281","19.6798","0.001","19.6798","0.001","25.097","0.003","90","","90","","120","","8417.7","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 F20 N4 Pd -","- C44 H8 F20 N4 Pd -","- C396 H72 F180 N36 Pd9 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.71073","MoKα","","0.1001","0.0478","","","0.1148","0.1352","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507282","20.1647","0.0009","20.1647","0.0009","23.941","0.002","90","","90","","120","","8430.6","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki","N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).","Organic letters","2003","5","8","1293","1296","10.1021/ol034227l","","","0.71073","MoKα","","0.1164","0.0707","","","0.1996","0.2552","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507759","5.385","0.001","5.385","0.001","14.399","0.001","90","","90","","120","","361.6","0.1","4.2","","4.2","","","","","","","","","3","R -3 :H","-R 3","148","","","","- F6 Mn Nb -","- F6 Mn Nb -","- F18 Mn3 Nb3 -","3","0.166667","","Bizot, D.; Chassaing, J.; Pannetier, J.; Leblanc, M.; Le Bail, A.; Ferey, G.","Fluorocomplexes of niobium IV - Part V* the magnetic structure of MnNbF6","Solid State Communications","1986","58","1","71","74","10.1016/0038-1098(86)90890-2","","","1.909","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1507787","25.4824","0.0006","25.4824","0.0006","35.0425","0.0011","90","","90","","120","","19706.4","0.9","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36.67 H31 Br2 Cl2 Mn2 N4.33 O14 -","- C36.6667 H30.99 Br2 Cl2 Mn2 N4.33333 O14 -","- C660 H557.82 Br36 Cl36 Mn36 N78 O252 -","18","1","","Corbella, M; Gomez, V; Garcia, B; Rodriguez, E; Albela, B; Maestro, M A","Synthesis, crystal structure and magnetic properties of new dinuclear Mn(III) compounds with 4-ClC6H4COO and 4-BrC6H4COO bridges","Inorganica Chimica Acta","2011","376","1","456","462","10.1016/j.ica.2011.07.016","","","0.71073","MoKα","","0.1455","0.0677","","","0.1421","0.1807","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507855","27.8708","0.0013","27.8708","0.0013","9.5026","0.0005","90","","90","","120","","6392.5","0.5","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C270 H432 O36 -","18","1","","Gao, Peng; Cook, Silas P.","A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.","Organic letters","2012","14","13","3340","3343","10.1021/ol3013167","","","0.71073","MoKα","","0.0683","0.0508","","","0.1361","0.1519","","","","","","1.043","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1508078","41.437","0.0012","41.437","0.0012","7.633","0.0004","90","","90","","120","","11350.2","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound1","tris(di-η5-cyclopentadienyl-ruthenyl)samarium","","- C30 H30 Re3 Sm -","- C30 H30 Re3 Sm -","- C540 H540 Re54 Sm18 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.0827","0.0489","","","0.0849","0.0927","","","","","","1.013","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508080","41.12","0.0015","41.12","0.0015","7.648","0.0004","90","","90","","120","","11199.1","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound2","tris(di-η5-cyclopentadienyl-ruthenyl)lutetium","","- C30 H30 Lu Re3 -","- C30 H30 Lu Re3 -","- C540 H540 Lu18 Re54 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71069","MoKα","","0.066","0.0403","","","0.0833","0.0886","","","","","","0.899","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508081","41.647","0.0014","41.647","0.0014","7.612","0.0004","90","","90","","120","","11434","0.8","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","compound3","tris(di-η5-cyclopentadienyl-ruthenyl)lanthanum","","- C30 H30 La Re3 -","- C30 H30 La Re3 -","- C540 H540 La18 Re54 -","18","1","","Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett","Molecules containing rare-earth atoms solely bonded by transition metals.","Nature chemistry","2010","2","9","741","744","10.1038/nchem.718","","","0.71073","MoKα","","0.0798","0.0417","","","0.0732","0.0809","","","","","","0.976","","","","has coordinates","210196","2020-10-21","18:00:00",""
"1508205","23.127","0.004","23.127","0.004","19.723","0.003","90","","90","","120","","9136","3","148","2","148","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H55 Cu2 N O19 -","- C35 H47.02 Cu2 N O16 -","- C315 H423.18 Cu18 N9 O144 -","9","0.5","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.2182","0.1994","","","0.5549","0.5617","","","","","","2.363","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508293","35.4603","0.0002","35.4603","0.0002","25.4746","0.0002","90","","90","","120","","27741","0.3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C71.33 H53 F6 O0.33 P3 Ru -","- C71.3333 H53 F6 O0.333333 P3 Ru -","- C1284 H954 F108 O6 P54 Ru18 -","18","1","","Ma, Hao-Wei; Lin, Ying-Chih; Huang, Shou-Ling","Sequential allenylidene/vinylidene cyclization for stereoselective construction of bicyclic carbocycles from propargyl alcohol.","Organic letters","2012","14","15","3846","3849","10.1021/ol301493n","","","0.71073","MoKα","","0.0622","0.0528","","","0.1625","0.1748","","","","","","1.176","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508370","31.075","0.002","31.075","0.002","6.1875","0.0004","90","","90","","120","","5174.5","0.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C5 H19.47 N2 O5.24 P -","- C5 H19.46 N2 O5.23 P -","- C90 H350.28 N36 O94.14 P18 -","18","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.0835","0.0444","","","0.097","0.1072","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508387","12.5514","0.001","12.5514","0.001","29.73","0.004","90","","90","","120","","4056.1","0.7","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Lu20 Ru11 -","- Lu20 Ru11 -","- Lu120 Ru66 -","6","0.333333","","Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd","Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms","Crystals","2012","2","2","704","709","10.3390/cryst2020704","","","0.71073","MoKα","","0.063","0.0364","","","0.0786","0.0855","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509237","5.641","","5.641","","16.118","","90","","90","","120","","444.175","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ag (Bi O3)","","- Ag Bi O3 -","- Ag Bi O3 -","- Ag6 Bi6 O18 -","6","0.333333","","Kumada, N.; Sleight, A.W.; Takahashi, N.; Kinomura, N.","Synthesis of new ilmenite-type oxides, Ag M O3 (M = Sb, Si) by ion-exchange reaction","Special Publication - Royal Society of Chemistry","1999","239","","212","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509393","10.443","","10.443","","19.935","","90","","90","","120","","1882.77","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Tl2 (Ag I3)","","- Ag I3 Tl2 -","- Ag I3 Tl2 -","- Ag9 I27 Tl18 -","9","0.5","","Hoyer, M.; Hartl, H.","Die Kristallstrukturen von Tl2 Ag I3 und Na Ag I2 . 3H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","308","312","10.1002/zaac.19966220217","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509588","6.915","","6.915","","18.537","","90","","90","","120","","767.634","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Ag1.3 Na1.7) Y Cl6","","- Ag1.3 Cl6 Na1.7 Y -","- Ag1.29 Cl6 Na1.7 Y -","- Ag3.87 Cl18 Na5.1 Y3 -","3","0.166667","","Stenzel, F.; Meyer, G.","Ternary halides of the A3 M X6 Typ II. The system Ag3-x Nax Y Cl6: Synthesis, structure ionic conductivity","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","652","660","10.1002/zaac.19936190406","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509721","9.962","","9.962","","18.61","","90","","90","","120","","1599.45","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ag2 Sr3 -","- Ag2 Sr3 -","- Ag18 Sr27 -","9","0.5","","Merlo, F.; Fornasini, M.L.","Crystal structure of the phases Sr2 Ag3, Ca5 Au3, Sr7 Au3 and Sr7 Ag3","Revue de Chimie Minerale","1984","21","","273","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509959","14.009","","14.009","","9.79","","90","","90","","120","","1663.9","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ag7 (Zr6 F31)","","- Ag7 F31 Zr6 -","- Ag7 F31 Zr6 -","- Ag21 F93 Zr18 -","3","0.166667","","Koller, D.; Mueller, B.G.","Synthese und Struktur von Ag7 M6 F31 (M = Zr, Hf, Ce)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1426","1428","10.1002/(SICI)1521-3749(200006)626:6<1426::AID-ZAAC1426>3.0.CO;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509979","6.8669","","6.8669","","18.305","","90","","90","","120","","747.518","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ag3 Y Cl6","","- Ag3 Cl6 Y -","- Ag3 Cl6 Y -","- Ag9 Cl18 Y3 -","3","0.166667","","Laqua, W.; Lerch, K.; Meyer, G.","Kristallstruktur und elektrische Leitfaehigkeit von Ag3 Y Cl6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","582","","143","150","10.1002/zaac.19905820118","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510148","7.759","","7.759","","7.117","","90","","90","","120","","371.056","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(O2) (Au F6)","","- Au F6 O2 -","- Au F6 O1.9998 -","- Au3 F18 O5.9994 -","3","0.166667","","Graudejus, O.; Mueller, B.G.","Zur Kristallstruktur von (O2)+ (M F6)- (M= Sb, Ru, Pt, Au)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","1076","1082","10.1002/zaac.19966220623","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510400","7.459","","7.459","","18.337","","90","","90","","120","","883.528","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Au0.7 Ta0.3) Ta14 S2","","- Au0.7 S2 Ta14.3 -","- Au0.7 S2 Ta14.3 -","- Au2.1 S6 Ta42.9 -","3","0.166667","","Wagner, V.; Harbrecht, B.","AuTa14S2 - zentrierte (Au,Ta)13-Ikosaeder organisiert nach dem Motiv einer kubisch dichten Packung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","969","976","10.1002/zaac.19946200603","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510468","9.604","","9.604","","18.36","","90","","90","","120","","1466.59","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Au2 Sr3 -","- Au2 Sr3 -","- Au18 Sr27 -","9","0.5","","Fornasini, M.L.; Merlo, F.; Pani, M.","Structures of Ca3 Au, Ca5 Au2, Sr3 Au2, Ba3 Au2 and alloying behaviour of the alkaline earths with Cu, Ag, Au","Revue de Chimie Minerale","1985","22","","791","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510631","8.418","","8.418","","9.132","","90","","90","","120","","560.421","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr Co3 B2","","- B2 Co3 Zr -","- B2 Co3 Zr -","- B18 Co27 Zr9 -","9","0.5","","Kuz'ma, Yu.B.; Kripyakevich, P.I.; Voroshilov, Yu.V.","Crystal structures of Zr Co3 B2 and Hf Co3 B2","Kristallografiya","1970","15","","934","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510753","4.707","","4.707","","14.93","","90","","90","","120","","286.47","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Mg Sn (B O3)2","","- B2 Mg O6 Sn -","- B2 Mg O6 Sn -","- B6 Mg3 O18 Sn3 -","3","0.166667","","Vicat, J.; Aleonard, S.","Borates Me(IV) Me(II) (B O3)2 de structure dolomite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","1046","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510791","4.771","","4.771","","15.304","","90","","90","","120","","301.685","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","(Mn0.83 Fe0.15 Ca0.02) Sn (B O3)2","","- B2 Ca0.02 Fe0.15 Mn0.83 O6 Sn -","- B2 Ca0.02 Fe0.15 Mn0.83 O6 Sn -","- B6 Ca0.06 Fe0.45 Mn2.49 O18 Sn3 -","3","0.166667","","Konovalenko, S.I.; Pushcharovskii, D.Yu.; Yamnova, N.A.; Kalacheva, L.V.","Crystal structure of a new natural tusionite borate Mn Sn (B O3)2.","Kristallografiya","1992","37","","1557","1558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510801","4.941","","4.941","","16.768","","90","","90","","120","","354.521","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr Sn (B O3)2","","- B2 O6 Sn Sr -","- B2 O6 Sn Sr -","- B6 O18 Sn3 Sr3 -","3","0.166667","","Aleonard, S.; Vicat, J.","Borates Me(IV) Me(II) (B O3)2 de structure dolomite","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","1046","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510871","13.041","","13.041","","9.523","","90","","90","","120","","1402.57","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Dy Ba3 (B O3)3","","- B3 Ba3 Dy O9 -","- B3 Ba3.0002 Dy0.9998 O9 -","- B18 Ba18.0012 Dy5.9988 O54 -","6","0.333333","","Ilyukhin, A.B.; Dzhurinskii, B.F.","Crystal structures of double borates Ln Ba3 (B O3)3 (Ln= Dy, Ho, Tm, Yb, Lu)","Zhurnal Neorganicheskoi Khimii","1993","38","","1625","1630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510877","13.0441","","13.0441","","9.5291","","90","","90","","120","","1404.14","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba3 (Y (B O3)3)","","- B3 Ba3 O9 Y -","- B3 Ba2.9999 O9 Y1.0001 -","- B18 Ba17.9994 O54 Y6.0006 -","6","0.333333","","Xu, Y.P.; Li, X.Z.; Wu, L.; Jian, J.K.; Chen, X.L.; Cao, Y.G.","Thermal stability and crystal structure of beta-(Ba3 Y B3 O9)","Journal of Solid State Chemistry","2004","177","","216","220","10.1016/S0022-4596(03)00415-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511042","13.014","","13.014","","8.899","","90","","90","","120","","1305.25","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc7 Cl12 B","","- B Cl12 Sc7 -","- B Cl12 Sc7 -","- B3 Cl36 Sc21 -","3","0.166667","","Corbett, J.D.; Hwu, S.-J.","Metal-metal bonded scandium cluster (Sc7 Cl12 Z) and infinite chain (Sc4 Cl6 Z) phases stabilized by interstitial boron or nitrogen (Z)","Journal of Solid State Chemistry","1986","64","","331","346","10.1016/0022-4596(86)90077-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511274","4.773","","4.773","","15.48","","90","","90","","120","","305.411","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Tb0.25 Sc0.75) (B O3)","","- B O3 Sc0.75 Tb0.25 -","- B O3 Sc0.75 Tb0.25 -","- B6 O18 Sc4.5 Tb1.5 -","6","0.333333","","Kuz'micheva, G.M.; Panyutin, V.L.; Rybakov, V.B.; Kuz'min, O.V.; Kutovoi, S.A.","Morphotropic series of Ln Sc3 (B O3)4 compounds","Kristallografiya","2000","45","","990","995","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511386","14.71","","14.71","","6.554","","90","","90","","120","","1228.18","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Li5.5 Fe0.5) Fe Pb (B6 O12)2","","- B12 Fe1.5 Li5.5 O24 Pb -","- B12 Fe1.498 Li5.502 O24 Pb -","- B36 Fe4.494 Li16.506 O72 Pb3 -","3","0.166667","","Belokoneva, E.L.; Dimitrova, O.V.; Ruchkina, E.A.","Synthesis and crystal structure of the new lithium-enriched hexaborate (Li5.5 Fe0.5) Fe Pb (B6 O12)2 with the original helical chain (B3(box) B3(Delta) O12)6-(infin)","Zhurnal Neorganicheskoi Khimii","2001","46","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511388","10.1271","","10.1271","","14.6294","","90","","90","","120","","1299.35","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr (B12 H12) (H2 O)8","","- B12 H12 O8 Sr -","- B12 H12 O8 Sr -","- B36 H36 O24 Sr3 -","3","0.166667","","Schleid, T.; Tiritiris, I.","Dodekahydro-closo-dodekaborate der schweren Erdalkalimetalle aus waessriger Loesung: Ca (H2 O)7 (B12 H12) * (H2 O), Sr (H2 O)8 (B12 H12) und Ba (H2 O)6 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1836","1845","10.1002/1521-3749(200108)627:8<1836::AID-ZAAC1836>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511429","20.686","","20.686","","20.915","","90","","90","","120","","7750.71","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Zn (C2 H8 N2)2)6 ((V O)12 O6 B18 O39 (O H)3) (H2 O)13","","- B18 O72.994 V12 Zn6 -","- B18 O72.994 V12 Zn6 -","- B54 O218.982 V36 Zn18 -","3","0.166667","","Zhang, L.; Shi, Z.; Feng, S.-H.; Yang, G.; Chen, X.","Hydrothermal synthesis and X-ry single crystal structure of (Zn (en)2)6 ((V O)12 O6 B18 O39 (O H)3)*13 H2 O","Journal of Solid State Chemistry","1999","148","","450","454","10.1006/jssc.1999.8478","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511639","12.284","","12.284","","9.268","","90","","90","","120","","1211.15","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr6 Y Sc (B O3)6","","- B6 O18 Sc Sr6 Y -","- B6 O18 Sc Sr6 Y -","- B18 O54 Sc3 Sr18 Y3 -","3","0.166667","","Jin, A.-D.; Lin, X.-T.; Huang, J.-F.","Preparation and crystal structure of a new borate Sr6YSc(BO3)6","Jiegon Huaxue","1992","11","","196","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511644","8.605","","8.605","","21.542","","90","","90","","120","","1381.4","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sr3 (B3 S6)2","","- B6 S12 Sr3 -","- B6 S12 Sr3 -","- B18 S36 Sr9 -","3","0.166667","","Puettmann, C.; Hammerschmidt, A.; Krebs, B.; Doech, M.","Sr3 (B S3)2 und Sr3 (B3 S6)2 : zwei neue nicht-oxidische Chalkogenoborate mit trigonal-planar koordiniertem Bor","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","551","555","10.1002/zaac.200390089","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512365","45.361","0.0007","45.361","0.0007","11.08652","0.00017","90","","90","","120","","19755.6","0.5","173","","173","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C46.5 H51.17 Cl4 N2 P2 Ru -","- C46 H50 Cl4 N2 P2 Ru -","- C828 H900 Cl72 N36 P36 Ru18 -","18","1","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","0.71073","MoKα","","0.0374","0.0308","","","0.0774","0.0809","","","","","","1.062","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512465","29.4973","0.0005","29.4973","0.0005","8.4812","0.0002","90","","90","","120","","6390.8","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26 H22 N8 Ni2 O2 S2 -","- C26 H22 N8 Ni2 O2 S2 -","- C234 H198 N72 Ni18 O18 S18 -","9","0.5","","Sayanti Dattaa; Dipravath Kumar Setha; Sudeshna Gangopadhyayb; Parimal Karmakarb; Samaresh Bhattacharya","Nickel complexes of some thiosemicarbazones: Synthesis, structure, catalytic properties and cytotoxicity studies","Inorganica Chimica Acta","2012","392","","118","130","10.1016/j.ica.2012.05.034","","","0.71073","MoKα","","0.0463","0.0325","","","0.0934","0.1101","","","","","","1.113","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512993","11.0211","0.001","11.0211","0.001","31.958","0.006","90","","90","","120","","3361.7","0.8","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ni -","- C24 H48 B2 F8 N24 Ni -","- C72 H144 B6 F24 N72 Ni3 -","3","0.166667","","Nader Hassan; Julia Stelzl; Peter Weinberger; Gabor Molnar; Azzedine Bousseksou; Frank Kubel; Kurt Mereiter; Roman Boca; Wolfgang Linert","Spectroscopic, structural and magnetic investigations of iron(II) complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole ligands","Inorganica Chimica Acta","2013","396","","92","100","10.1016/j.ica.2012.10.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512994","10.8629","0.0003","10.8629","0.0003","36.4816","0.0016","90","","90","","120","","3728.2","0.2","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H60 B2 F8 N24 Ni -","- C30 H60 B2 F8 N24 Ni -","- C90 H180 B6 F24 N72 Ni3 -","3","0.166667","","Nader Hassan; Julia Stelzl; Peter Weinberger; Gabor Molnar; Azzedine Bousseksou; Frank Kubel; Kurt Mereiter; Roman Boca; Wolfgang Linert","Spectroscopic, structural and magnetic investigations of iron(II) complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole ligands","Inorganica Chimica Acta","2013","396","","92","100","10.1016/j.ica.2012.10.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513261","14.6672","0.0004","14.6672","0.0004","46.706","0.002","90","","90","","120","","8701.6","0.5","295","1","295","1","","","","","","","","3","R -3 :H","-R 3","148","2,3-dibutoxy-anthracene","","","- C22 H26 O2 -","- C22 H26 O2 -","- C396 H468 O36 -","18","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.121","0.044","","","0.097","0.166","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513262","14.639","0.002","14.639","0.002","54.435","0.007","90","","90","","120","","10103","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C468 H612 O36 -","18","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.0952","0.0413","","","0.0821","0.0946","","","","","","1.024","","","","has coordinates","288646","2024-01-03","15:10:25",""
"1513383","36.782","0.007","36.782","0.007","14.26","0.003","90","","90","","120","","16708","6","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H49 B N2 O2 Pt -","- C40 H49 B N2 O2 Pt -","- C720 H882 B18 N36 O36 Pt18 -","18","1","","Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning","Chelation-assisted photoelimination of b,n-heterocycles.","Organic letters","2014","16","2","616","619","10.1021/ol403550b","","","0.71073","MoKα","","0.1645","0.0673","","","0.1183","0.1471","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513617","37.852","0.002","37.852","0.002","11.585","0.0006","90","","90","","120","","14374.9","1.3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H342 K6 Mg6 N12 -","- C168.024 H342 K6 Mg6 N12 -","- C504.072 H1026 K18 Mg18 N36 -","3","0.166667","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","0.71073","MoKα","","0.1005","0.0621","","","0.1475","0.1734","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513618","37.8751","0.0015","37.8751","0.0015","11.7865","0.0004","90","","90","","120","","14642.8","1","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C189 H282 K6 Mg6 N12 -","- C189.3 H282 K6 Mg6 N12 -","- C567.9 H846 K18 Mg18 N36 -","3","0.166667","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.0991","0.0842","","","0.243","0.2627","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513714","19.873","0.0005","19.873","0.0005","9.9681","0.0004","90","","90","","120","","3409.34","0.18","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H52 Cl3 Cu6 N13 O6 -","- C33 H52.06 Cl3 Cu6 N13 O6 -","- C99 H156.18 Cl9 Cu18 N39 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0495","0.0356","","","0.0734","0.0813","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513715","20.1726","0.0008","20.1726","0.0008","10.1341","0.0007","90","","90","","120","","3571.4","0.3","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1633","0.0918","","","0.2329","0.3015","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513716","19.8969","0.0003","19.8969","0.0003","9.9518","0.0003","90","","90","","120","","3411.95","0.13","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0748","0.0662","","","0.1915","0.2006","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513806","12.4443","0.0006","12.4443","0.0006","13.0384","0.0006","90","","90","","120","","1748.62","0.14","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:47:43",""
"1513807","12.3948","0.0006","12.3948","0.0006","12.8871","0.0006","90","","90","","120","","1714.61","0.14","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:01",""
"1513808","12.4109","0.00007","12.4109","0.00007","12.99059","0.00011","90","","90","","120","","1732.87","0.02","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:20",""
"1513809","12.3959","0.0005","12.3959","0.0005","12.9208","0.0005","90","","90","","120","","1719.4","0.12","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:28",""
"1513810","12.5077","0.0007","12.5077","0.0007","13.0995","0.0007","90","","90","","120","","1774.76","0.17","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:42",""
"1514235","10.3043","0.0002","10.3043","0.0002","25.7688","0.0005","90","","90","","120","","2369.53","0.08","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Dimanganese Trioxide - Zeta Phase, Hp Ht","","- Mn2 O3 -","- Mn2 O3 -","- Mn96 O144 -","48","2.66667","","Ovsyannikov, Sergey V.; Abakumov, Artem M.; Tsirlin, Alexander A.; Schnelle, Walter; Egoavil, Ricardo; Verbeeck, Jo; Van Tendeloo, Gustaaf; Glazyrin, Konstantin V.; Hanfland, Michael; Dubrovinsky, Leonid","Perovskite-like Mn2 O3: a path to new manganites","Angewandte Chemie. International Edition","2013","52","5","1494","1498","10.1002/anie.201208553","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1515192","23.862","0.0019","23.862","0.0019","14.686","0.0019","90","0.002","90","0.002","120","0.002","7241.8","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 N12 O Zn -","- C8 H10 N12 O Zn -","- C144 H180 N216 O18 Zn18 -","18","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian","N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery","Chemical Science","2012","3","6","2114","","10.1039/c2sc00017b","","","0.71069","MoKα","","0.0509","0.0403","","","0.1377","0.1462","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515258","32.152","0.003","32.152","0.003","31.611","0.003","90","","90","","120","","28300","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C169.5 H273 Mn7 N18 O37.5 -","- C169.5 H262.5 Mn7 N18 O37.5 -","- C1017 H1575 Mn42 N108 O225 -","6","0.333333","","Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten","Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet","Chemical Science","2012","3","9","2868","","10.1039/c2sc20649h","","","0.71073","MoKα","","0.0667","0.0551","","","0.1458","0.1669","","","","","","1.129","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515519","22.054","0.004","22.054","0.004","13.223","0.003","90","","90","","120","","5569.7","1.9","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","anti-5,5'-(1,2-ethenediylidene)bis-5H- dibenzo(a,d)cycloheptene and m-xylene","anti-5,5'-(1,2-ethenediylidene)bis-5H-dibenzo[a,d]cycloheptene and m-xylene","","- C104 H70 -","- C103.98 H60 -","- C311.94 H180 -","3","0.166667","","Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian","Vapochromic and semiconducting solids of a bifunctional hydrocarbon","Chemical Science","2011","2","12","2402","","10.1039/c1sc00494h","","","0.71073","MoKα","","0.1128","0.0586","","","0.1718","0.2087","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515563","17.736","0.002","17.736","0.002","51.913","0.007","90","","90","","120","","14142","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","[Na(thf)6][(Ar[Np]N)3Nb(OC[CPh2])3P]","","","- C105 H138 N3 Na Nb O9 P -","- C105 H138 N3 Na Nb O9 P -","- C630 H828 N18 Na6 Nb6 O54 P6 -","6","0.333333","","Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.","A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes","Chemical Science","2011","2","11","2166","","10.1039/c1sc00375e","","","0.71073","MoKα","","0.0752","0.0495","","","0.1179","0.1362","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515586","30.849","0.0006","30.849","0.0006","23.5478","0.0006","90","","90","","120","","19407.2","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H62 Li N3 O3 Ti -","- C44.92 H61.92 Li N3 O3 Ti -","- C808.56 H1114.56 Li18 N54 O54 Ti18 -","18","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","1.54178","CuKα","","0.0749","0.056","","","0.1485","0.1605","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515639","28.1055","0.0004","28.1055","0.0004","19.1669","0.0006","90","","90","","120","","13111.9","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C132 H126 In8 N84 O39.67 -","- C132 H126 In8 N83.98 O39.96 -","- C396 H378 In24 N251.94 O119.88 -","3","0.166667","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.086","0.058","","","0.1352","0.1526","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515770","15.7834","0.0008","15.7834","0.0008","21.1015","0.0011","90","","90","","120","","4552.4","0.4","125","2","125","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C21 H34 B Cl3 Ga2 N6 S3 -","- C21 H34 B Cl3 Ga2 N6 S3 -","- C126 H204 B6 Cl18 Ga12 N36 S18 -","6","0.333333","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard","Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment","Chemical Science","2010","1","2","210","","10.1039/c0sc00145g","","","0.71073","MoKα","","0.0941","0.04","","","0.0677","0.0747","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516564","24.8585","0.0005","24.8585","0.0005","16.8633","0.0003","90","","90","","120","","9024.5","0.3","228","2","228","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H15 F5 N2 O3 -","- C20 H15 F5 N2 O3 -","- C360 H270 F90 N36 O54 -","18","1","","Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter","Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","6","2422","2427","10.1039/C4SC00697F","","","1.54178","CuKα","","0.0585","0.0428","","","0.1095","0.1229","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516842","27.3168","0.0008","27.3168","0.0008","49.6611","0.0019","90","","90","","120","","32092.7","1.8","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H72 Cl6 Cu3 N18 O13.5 -","- C90 H72 Cl6 Cu3 N18 O13.5 -","- C1080 H864 Cl72 Cu36 N216 O162 -","12","0.666667","","Kuldeep Mahiya; Pavan Mathur","Morphology dependant oxidation of aromatic alcohols by new symmetrical copper(II) metallatriangles formed by self-assembly of a shared bis-benzimidazolyl diamide ligand","Inorganica Chimica Acta","2013","399","","36","44","","","","0.71073","MoKα","","0.1082","0.0678","","","0.2197","0.238","","","","","","1.039","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1517451","27.829","0.003","27.829","0.003","10.1784","0.0012","90","","90","","120","","6826.6","1.3","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H15.33 N O4.17 S -","- C16 H15.3333 N O4.16667 S -","- C288 H275.999 N18 O75 S18 -","18","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","0.1002","0.0698","","","0.1674","0.1882","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517465","26.0349","0.0005","26.0349","","6.85076","0.00018","90","","90","","120","","4021.44","0.13","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.35 H Fe O3.7 -","- C4.35 H Fe O3.7 -","- C78.3 H18 Fe18 O66.6 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.06385","","1.78","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517466","25.8977","0.0009","25.8977","","6.846","0.0004","90","","90","","120","","3976.4","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H Co O4.25 -","- C4.624 H Co O4.248 -","- C83.232 H18 Co18 O76.464 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.06669","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517467","25.8582","0.0007","25.8582","","6.26149","0.0002","90","","90","","120","","3625.81","0.15","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.34 H Cu O3.68 -","- C4.33933 H Cu O3.67867 -","- C78.108 H18 Cu18 O66.216 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.02721","","1.13","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517468","26.3262","0.0016","26.3262","","7.044","0.0005","90","","90","","120","","4227.9","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.54 H Mn O4.07 -","- C4.535 H Mn O4.07 -","- C81.63 H18 Mn18 O73.26 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05388","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517469","25.914","0.0017","25.914","","6.7986","0.0006","90","","90","","120","","3953.8","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.53 H O4.07 Zn -","- C4.535 H O4.07 Zn -","- C81.63 H18 O73.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0431","","1.04","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517470","25.9067","0.0009","25.9067","","6.8548","0.0005","90","","90","","120","","3984.3","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Co O3 -","- C4 H Co O3 -","- C72 H18 Co18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.11323","","1.01","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517471","25.8733","0.0007","25.8733","","6.25768","0.0002","90","","90","","120","","3627.84","0.15","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Cu O3 -","- C4 H Cu O3 -","- C72 H18 Cu18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.03035","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517472","26.0983","0.0004","26.0983","","6.85119","0.00014","90","","90","","120","","4041.3","0.1","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4406","neutron","","","","","","","","0.0619","","1.68","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517473","26.3331","0.0017","26.3331","","7.0477","0.0005","90","","90","","120","","4232.4","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Mn O3 -","- C4 H Mn O3 -","- C72 H18 Mn18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.04952","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517474","25.9292","0.0024","25.9292","","6.7962","0.0009","90","","90","","120","","3957.1","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H O3 Zn -","- C4 H O3 Zn -","- C72 H18 O54 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0452","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517475","25.8728","0.0008","25.8728","","6.87004","0.0003","90","","90","","120","","3982.7","0.2","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.82 H Mg O4.65 -","- C4.825 H Mg O4.65 -","- C86.85 H18 Mg18 O83.7 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.03757","","1.14","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517476","26.001","0.0005","26.001","","6.86071","0.0002","90","","90","","120","","4016.8","0.14","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.26 H Fe O5.53 -","- C5.263 H Fe O5.526 -","- C94.734 H18 Fe18 O99.468 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.08444","","1.36","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517477","25.8735","0.0012","25.8735","","6.8486","0.0004","90","","90","","120","","3970.5","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.5 H Co O6.01 -","- C5.503 H Co O6.006 -","- C99.054 H18 Co18 O108.108 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.09834","","0.99","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517478","25.8504","0.002","25.8504","","6.8072","0.0008","90","","90","","120","","3939.4","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.29 H O5.57 Zn -","- C5.285 H O5.57 Zn -","- C95.13 H18 O100.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05515","","1.12","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517479","25.89776","0.00033","25.89776","","6.27846","0.0001","90","","90","","120","","3646.77","0.07","150","","150","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5.14 Cu O5.27 -","- C5.13517 Cu O5.27033 -","- C92.433 Cu18 O94.866 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","x-ray","0.72959","","","","","","","","","0.05804","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517480","25.994","0.007","25.994","0.007","6.8127","0.0018","90","","90","","120","","3986.5","1.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10.94 H2 Co2 O11.88 -","- C10.94 H2 Co2 O11.88 -","- C98.46 H18 Co18 O106.92 -","9","0.5","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","","","0.7749","synchrotron","","0.1284","0.0977","","","0.2437","0.2628","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1517481","26.0818","0.0013","26.0818","","6.8783","0.0006","90","","90","","120","","4052.2","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.77 H Fe O4.54 -","- C4.769 H Fe O4.538 -","- C85.842 H18 Fe18 O81.684 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.7948","neutron","","","","","","","","0.08379","","1.56","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517482","25.887","0.0016","25.887","","6.821","0.0006","90","","90","","120","","3958.6","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H O4.25 Zn -","- C4.623 H O4.246 Zn -","- C83.214 H18 O76.428 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05421","","1.08","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517795","4.805","0.002","4.805","0.002","16.015","0.009","90","","90","","120","","320.2","0.3","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Calcium Magnesium Carbonate","Dolomite (quenched from 1323 K, 11 kbar)","- C2 Ca Mg O6 -","- C2 Ca1.0014 Mg0.9986 O6 -","- C6 Ca3.0042 Mg2.9958 O18 -","3","0.166667","","Reeder, R.J.; Wenk, H.R.","Structure refinement of some thermally disordered dolomites","American Mineralogist","1983","68","","769","776","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517796","4.808","0.001","4.808","0.001","16.022","0.003","90","","90","","120","","320.76","0.11","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Magnesium Calcium Carbonate (.1/.9/1)","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Effenberger, H.; Kirfel, A.; Will, G.","Untersuchungen zur Elektronendichteverteilung im Dolomit Ca Mg (C O3)2","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1983","31","","151","164","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517797","4.795","","4.795","","15.87","","90","","90","","120","","315.998","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Calcium Magnesium Carbonate","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Wasastjerna, J.A.","Crystal structure of dolomite","Societas Scientiarum Fennica. Commentationes Physicomathematicae II","1925","2","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518520","20.478","0.003","20.478","0.003","36.726","0.007","90","","90","","120","","13338","4","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H168 Au8 O46 P8 Si W12 -","- C168 H168 Au8 O46 P8 Si W12 -","- C504 H504 Au24 O138 P24 Si3 W36 -","3","0.166667","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.0558","0.0547","","","0.1212","0.1217","","","","","","1.311","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518521","20.3813","0.0007","20.3813","0.0007","36.679","0.002","90","","90","","120","","13195.1","1","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H168 Au8 Mo12 O46 P8 Si -","- C168 H168 Au8 Mo12 O46 P8 Si -","- C504 H504 Au24 Mo36 O138 P24 Si3 -","3","0.166667","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.039","0.0376","","","0.0855","0.0862","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518533","23.9571","0.0006","23.9571","0.0006","16.5415","0.0008","90","","90","","120","","8221.9","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C90 H72 Ag12 F18 N6 O12 S6 -","- C90 H72 Ag12 F18 N6 O12 S6 -","- C270 H216 Ag36 F54 N18 O36 S18 -","3","0.166667","","Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W.","A thermochromic silver nanocluster exhibiting dual emission character.","Nanoscale","2015","7","5","1650","1654","10.1039/c4nr05122j","","","0.71073","MoKα","","0.0619","0.0449","","","0.1453","0.1569","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518637","19.9798","0.0003","19.9798","0.0003","12.6217","0.0003","90","","90","","120","","4363.46","0.14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H24 B3 N3 O12 -","- C27 H24 B3 N3 O12 -","- C162 H144 B18 N18 O72 -","6","0.333333","","Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun","1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.","Organic letters","2015","17","3","560","563","10.1021/ol503575t","","","1.54178","CuKα","","0.0742","0.0663","","","0.2386","0.2557","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518741","16.413","0.002","16.413","0.002","23.8","0.006","90","","90","","120","","5552.4","1.7","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 As3 Cl3 S6 -","- C30 H42 As3 Cl3 S6 -","- C180 H252 As18 Cl18 S36 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0731","0.0671","","","0.2213","0.229","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518743","16.458","0.0006","16.458","0.0006","23.9449","0.0008","90","","90","","120","","5616.9","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 Cl3 S6 Sb3 -","- C30 H42 Cl3 S6 Sb3 -","- C180 H252 Cl18 S36 Sb18 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0294","0.025","","","0.0679","0.0706","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518932","32.8171","0.0009","32.8171","0.0009","74.653","0.002","90","","90","","120","","69627","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H162 Mo60 N22.5 O601.26 Se21.57 W72 -","- C45 Mo60 N22.5 O601.26 Se21.57 W72 -","- C135 Mo180 N67.5 O1803.78 Se64.71 W216 -","3","0.166667","","Korenev, Vladimir S.; Abramov, Pavel A.; Vicent, Cristian; Zhdanov, Artem A.; Tsygankova, Alphiya R.; Sokolov, Maxim N.; Fedin, Vladimir P.","Selenate as a novel ligand for keplerate chemistry. New {W72Mo60} keplerates with selenates inside the cavity.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8839","8845","10.1039/c5dt00349k","","x-ray","0.71073","MoKα","","0.091","0.0507","","","0.1414","0.1591","","","","","","1.114","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518950","43.2109","0.0016","43.2109","0.0016","5.0578","0.0002","90","","90","","120","","8178.6","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H42 N2 S4 -","- C42 H42 N2 S4 -","- C378 H378 N18 S36 -","9","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.0707","0.0583","","","0.1502","0.156","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518981","21.646","0.0014","21.646","0.0014","37.995","0.003","90","","90","","120","","15417.4","1.9","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","[PNONPCrCl]2","","","- C52 H80 Cl2 Cr2 N4 O2 P4 -","- C52 H80 Cl2 Cr2 N4 O2 P4 -","- C468 H720 Cl18 Cr18 N36 O18 P36 -","9","0.5","","Reed J. Eisenhart; Rebecca K. Carlson; Kelsey M. Boyle; Laura Gagliardi; Connie C. Lu","Synthesis and redox reactivity of a phosphine-ligated dichromium paddlewheel","Inorganica Chimica Acta","2015","424","","336","344","","","","0.71073","MoKα","","0.065","0.0499","","","0.1543","0.1647","","","","","","1.132","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519317","8.461","0.0006","8.461","0.0006","16.988","0.0006","90","","90","","120","","1053.21","0.11","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10 H10 Fe I3 -","- C12 H12 Fe I3 -","- C36 H36 Fe3 I9 -","3","0.166667","","Bricklebank, Neil; Gelbrich, Thomas; Hursthouse, Michael B.","C10H10FeI3","Crystal Structure Report Archive","2001","","","831","","","","","0.71069","MoKα","","0.0613","0.06","","","0.1485","0.1516","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519392","18.404","0.004","18.404","0.004","29.626","0.007","90","","90","","120","","8690","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H82 Cl2 N3 Na O4.5 Si6 Th -","- C36 H90 Cl2 N3 Na O4.5 Si6 Th -","- C216 H540 Cl12 N18 Na6 O27 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0745","0.0503","","","0.1166","0.1272","","","","","","1","","","","has coordinates","189369","2020-10-21","18:00:00",""
"1519776","24.595","0.002","24.595","0.002","48.278","0.006","90","","90","","120","","25291","4","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H96 B3 F78 Fe4 Ga4 O8 -","- C143.88 H95.85 B3 F78 Fe3.99 Ga4 O7.98 -","- C863.28 H575.1 B18 F468 Fe23.94 Ga24 O47.88 -","6","0.333333","","Aldridge, Simon; Horton, Peter N.; Hursthouse, Michael B.","C144H96B3F78Fe4Ga4O8","Crystal Structure Report Archive","2006","","","1180","","","","","0.71073","MoKα","","0.1306","0.0974","","","0.2097","0.227","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520808","8.701","","8.701","","23.41","","90","","90","","120","","1534.87","","","","","","","","","","","","","7","R -3 :H","-R 3","148","","(La0.7 Eu0.3)0.167 Pb0.333 Zr2 (P O4)2.833 (Si O4)0.167","","- Eu0.0501 La0.1169 O12 P2.833 Pb0.333 Si0.167 Zr2 -","- Eu0.05 La0.11665 O12 P2.8332 Pb0.33335 Si0.1668 Zr2 -","- Eu0.3 La0.6999 O72 P16.9992 Pb2.0001 Si1.0008 Zr12 -","6","0.333333","","Bakhous, K.; Cherkaoui, F.; Benabad, A.; Dexpert-Ghys, J.; Savariault, J.M.; El Jouhari, N.","Structural approach and luminescence properties of La1/6 Pb1/3 Zr2 (P O4)17/6 (Si O4)1/6 : Eu(3+)","Journal of Solid State Chemistry","1999","146","","499","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","140354","2020-10-21","18:00:00",""
"1520809","8.692","","8.692","","23.45","","90","","90","","120","","1534.31","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","La0.167 Pb0.333 Zr2 (P O4)2.833 (Si O4)0.167","","- La0.167 O12 P2.833 Pb0.333 Si0.167 Zr2 -","- La0.16665 O12 P2.8332 Pb0.33335 Si0.1668 Zr2 -","- La0.9999 O72 P16.9992 Pb2.0001 Si1.0008 Zr12 -","6","0.333333","","Bakhous, K.; Cherkaoui, F.; Benabad, A.; Savariault, J.M.","New phosphosilicates with Nasicon structure type","Materials Research Bulletin","1999","34","","263","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","140355","2020-10-21","18:00:00",""
"1521051","9.538","","9.538","","24.66","","90","","90","","120","","1942.85","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Rb2 Mo12 Se14","","- Mo12 Rb2 Se14 -","- Mo12 Rb2 Se14 -","- Mo36 Rb6 Se42 -","3","0.166667","","Gautier, R.; Picard, S.; Gougeon, P.; Potel, M.","Synthesis, crystal and electronic structures, and electrical properties of Rb2 Mo12 Se14 containing trioctahedral Mo12 clusters","Materials Research Bulletin","1999","34","","93","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","140682","2020-10-21","18:00:00",""
"1521121","9.6953","","9.6953","","9.2084","","90","","90","","120","","749.613","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Tm6 Re O12","","- O12 Re Tm6 -","- O12 Re Tm6 -","- O36 Re3 Tm18 -","3","0.166667","","Hartmann, T.; Ehrenberg, H.; Miehe, G.; Wltschek, G.; Fuess, H.","Preparation and characterization of rare earth rhenium oxides Ln6 Re O12, Ln = Ho, Er, Tm, Yb, Lu","Journal of Solid State Chemistry","1999","148","","220","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521374","4.686","","4.686","","13.291","","90","","90","","120","","252.751","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Karki, B.B.; Duan, W.; da Silva, C.R.S.; Wentzcovitch, R.M.","Ab initio structure of Mg Si O3 ilmenite at high pressure","American Mineralogist","2000","85","","317","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521515","8.26988","","8.26988","","22.3573","","90","","90","","120","","1324.18","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","La0.333 Ti2 (P O4)3","","- La0.333 O12 P3 Ti2 -","- La0.3335 O12 P3 Ti2 -","- La2.001 O72 P18 Ti12 -","6","0.333333","","Lightfoot, P.; Jorgensen, J.D.; Woodcock, D.A.; Short, S.","Low thermal expansion materials: a comparison of the structural behaviour of La0.33 Ti2 (P O4)3, Sr0.5 Ti2 (P O4)3 and Na Ti2 (P O4)3","International Journal of Inorganic Materials","1999","1","","53","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","141727","2020-10-21","18:00:00",""
"1521631","8.8352","","8.8352","","22.254","","90","","90","","120","","1504.43","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Cu0.5 Mn0.25 Zr2 (P O4)3","","- Cu0.5 Mn0.25 O12 P3 Zr2 -","- Cu0.501 Mn0.25 O12 P3 Zr2 -","- Cu3.006 Mn1.5 O72 P18 Zr12 -","6","0.333333","","Mouline, A.; Alami, M.; Parent, C.; Brochu, R.; Olazcuaga, R.; le Flem, G.","Structural and luminescent properties of a Nasicon-type phosphate Cu(I)0.5 Mn(II)0.25 Zr2 (P O4)3","Journal of Solid State Chemistry","2000","152","","453","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","141844","2020-10-21","18:00:00",""
"1521670","3.299","","3.299","","26.101","","90","","90","","120","","246.01","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","In Ga Zn O4","","- Ga In O4 Zn -","- Ga In O4 Zn -","- Ga3 In3 O12 Zn3 -","3","0.166667","","Nespolo, M.; Sato, A.; Osawa, T.; Ohashi, H.","Synthesis, crystal structure and charge distribution of In Ga Zn O4. X-ray diffraction of 20 kb single crystal and 50 kb twin by reticular merohedry","Crystal Research and Technology","2000","35","","151","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521832","7.21","","7.21","","26.8189","","90","","90","","120","","1207.38","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Cs (Co (N D3)6) (Cl O4)2 Cl2","","- Cl4 Co Cs D18 N6 O8 -","- Cl4 Co Cs D18 N6 O8 -","- Cl12 Co3 Cs3 D54 N18 O24 -","3","0.166667","","Reynolds, P.A.; Henning, R.W.; Schultz, A.J.","Orientational disordering in Cs Co (N D3)6 (Cl O4)2 Cl2 crystals studied by single crystal neutron diffraction between 20 and 290 K","Journal of Solid State Chemistry","2000","149","","60","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521849","17.484","","17.484","","10.69","","90","","90","","120","","2830.02","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y3 Fe5 O12","","- Fe5 O12 Y3 -","- Fe5 O12 Y3 -","- Fe60 O144 Y36 -","12","0.666667","","Rodic, D.; Mitric, M.; Tellgren, R.; Rundloef, H.; Kremenovic, A.","True magnetic structure of the ferrimagnetic garnet Y3 Fe5 O12 and magnetic moments of iron ions","Journal of Magnetism and Magnetic Materials","1999","191","","137","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","142065","2020-10-21","18:00:00",""
"1522047","7.843","","7.843","","42.26","","90","","90","","120","","2251.25","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr0.926 (Si0.867 Nb0.132) Nb10 O19","","- Nb10.132 O19 Si0.867 Sr0.926 -","- Nb10.132 O19 Si0.867 Sr0.926 -","- Nb60.792 O114 Si5.202 Sr5.556 -","6","0.333333","","Tortelier, J.; Emge, T.J.; Veith, G.; Greenblatt, M.","Synthesis, crystal structure, and physical properties of Sr0.93 (Six Nb1-x) Nb10 O19 (x=0.87)","Journal of Solid State Chemistry","2000","152","","540","545","","","","","","","","","","","","","","","","","","","","","","has coordinates","142266","2020-10-21","18:00:00",""
"1522053","6.001","","6.001","","14.205","","90","","90","","120","","443.016","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na2 (Hf (O H)6)","","- H6 Hf Na2 O6 -","- H6 Hf Na2 O6 -","- H18 Hf3 Na6 O18 -","3","0.166667","","Troyanov, S.I.; Kostrikin, A.V.; Lin'ko, I.V.; Ezhov, A.I.; Zaitsev, B.E.; Spiridonov, F.M.","Crystal structure of hydroxohafnates Na2 Hf (O H)6 and K2 Hf (O H)6","Kristallografiya","1999","44","","1054","1058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522135","5.62176","","5.62176","","17.31609","","90","","90","","120","","473.942","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","La2 Ca2 Mn O7","","- Ca2 La2 Mn O7 -","- Ca2 La2 Mn O7.0002 -","- Ca6 La6 Mn3 O21.0006 -","3","0.166667","","Wang, Y.-X.; Lin, J.-H.; Du, Y.; Loong, C.-K.; Qin, R.-W.; Han, B.","A hexagonal perovskite intergrowth compound: La2 Ca2 Mn O7","Angew. Chem. Int. ed.","2000","39","","2730","2732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522209","5.10118","","5.10118","","15.959","","90","","90","","120","","359.648","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na2 (Ge Te O6)","","- Ge Na2 O6 Te -","- Ge Na2 O6 Te -","- Ge3 Na6 O18 Te3 -","3","0.166667","","Woodward, P.M.; Sleight, A.W.; Du, L.-S.; Grey, C.P.","Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6","Journal of Solid State Chemistry","1999","147","","99","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522211","5.2201","","5.2201","","15.8375","","90","","90","","120","","373.745","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na2 (Ti Te O6)","","- Na2 O6 Te Ti -","- Na2 O6 Te Ti -","- Na6 O18 Te3 Ti3 -","3","0.166667","","Woodward, P.M.; Grey, C.P.; Sleight, A.W.; Du, L.-S.","Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6","Journal of Solid State Chemistry","1999","147","","99","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522650","12.888","","12.888","","5.629","","90","","90","","120","","809.716","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Pt4 Yb3 -","- Pt4 Yb3 -","- Pt24 Yb18 -","6","0.333333","","Palenzona, A.","The crystal structure and lattice constants of R3 Pt4 compounds","Journal of the Less-Common Metals","1977","53","","133","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522816","11.24","","11.24","","5.077","","90","","90","","120","","555.483","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ni4 Ti3 -","- Ni4 Ti3 -","- Ni24 Ti18 -","6","0.333333","","Saburi, T.; Nenno, S.; Fukuda, T.","Crystal structure and morphology of the metastable X-phase in shape memory Ti-Ni alloys","Journal of the Less-Common Metals","1986","125","","157","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524030","10.8819","","10.8819","","19.2366","","90","","90","","120","","1972.73","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Co.605 Cr.395)38 W15","","- Co22.99 Cr15.01 W15 -","- Co22.989 Cr15.009 W15.002 -","- Co68.967 Cr45.027 W45.006 -","3","0.166667","","Barrows, R.G.; Newkirk, J.B.","Phase equilibria in the Co-Cr-W system with special emphasis on the R-phase","Metallography","1972","5","","515","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","144684","2020-10-21","18:00:00",""
"1524056","9.751","","9.751","","9.332","","90","","90","","120","","768.429","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y6 W O12","","- O12 W Y6 -","- O12 W Y6 -","- O36 W3 Y18 -","3","0.166667","","Beaury, O.; Faucher, M.; Caro, P.","Crystal structure and fluorescence spectrum of 3(Y2 O3), W O3:Eu((3+))","Materials Research Bulletin","1978","13","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524589","9.204","","9.204","","17.384","","90","","90","","120","","1275.36","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Eu3 Pd2 -","- Eu3 Pd2 -","- Eu27 Pd18 -","9","0.5","","Iandelli, A.; Palenzona, A.","The Crystal structure of the intermetallic compound Eu3 Pd2","Journal of the Less-Common Metals","1975","40","","263","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525068","9.0884","","9.0884","","11.2829","","90","","90","","120","","807.098","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ho Mo6 S8","","- Ho2.64 Mo18 S24 -","- Ho2.64 Mo18 S24 -","- Ho2.64 Mo18 S24 -","1","0.0555556","","Pena, O.; Horyn, R.; Potel, M.; Padiou, J.; Sergent, M.","Crystal structure and normal state physical properties of Hox Mo6 S8 (0.88<= x<= 1.0) single crystals","Journal of the Less-Common Metals","1985","105","","105","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","145961","2020-10-21","18:00:00",""
"1525155","9.729","","9.729","","9.103","","90","","90","","120","","746.194","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr (Y4 Zr2) O12","","- O12 Y4 Zr3 -","- O12 Y4.002 Zr2.998 -","- O36 Y12.006 Zr8.994 -","3","0.166667","","Ray, S.P.; Stubican, V.S.; Cox, D.E.","Neutron diffraction investigation of Zr3 Y4 O12","Materials Research Bulletin","1980","15","","1419","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","146057","2020-10-21","18:00:00",""
"1525280","5.336","","5.336","","14.153","","90","","90","","120","","348.988","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ca Cr F6 -","- Ca Cr F6 -","- Ca3 Cr3 F18 -","3","0.166667","","Siebert, G.; Hoppe, R.","Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","391","","126","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525281","5.091","","5.091","","13.143","","90","","90","","120","","295.006","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mg Cr F6","","- Cr F6 Mg -","- Cr F6 Mg -","- Cr3 F18 Mg3 -","3","0.166667","","Siebert, G.; Hoppe, R.","Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","391","","126","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525283","5.14","","5.14","","14.075","","90","","90","","120","","322.037","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cd Cr F6 -","- Cd Cr F6 -","- Cd3 Cr3 F18 -","3","0.166667","","Siebert, G.; Hoppe, R.","Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","391","","126","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525284","5.128","","5.128","","14.265","","90","","90","","120","","324.862","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Hg Cr F6","","- Cr F6 Hg -","- Cr F6 Hg -","- Cr3 F18 Hg3 -","3","0.166667","","Siebert, G.; Hoppe, R.","Ternaere Fluoride mit vierwertigem Chrom: M(II) Cr F6 mit M(II)= Ba, Sr, Ca, Mg, Zn, Cd, Hg, Ni","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","391","","126","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525399","5.543","","5.543","","15.63","","90","","90","","120","","415.891","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li8 (Pb O6)","","- Li8 O6 Pb -","- Li8 O6 Pb -","- Li24 O18 Pb3 -","3","0.166667","","Troemel, M.; Maetz, J.; Muellner, M.","Die Kristallstruktur von Li8 Pb O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","449","","102","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525900","9.7505","","9.7505","","9.3094","","90","","90","","120","","766.489","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y6 O6 (W O6)","","- O12 W Y6 -","- O12 W Y6 -","- O36 W3 Y18 -","3","0.166667","","Diot, N.; Benard-Rocherulle, P.; Marchand, R.","X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)","Powder Diffraction","2000","15","","220","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525901","9.7583","","9.7583","","9.3142","","90","","90","","120","","768.112","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ho6 O6 (W O6)","","- Ho6 O12 W -","- Ho6 O12 W -","- Ho18 O36 W3 -","3","0.166667","","Diot, N.; Benard-Rocherulle, P.; Marchand, R.","X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho)","Powder Diffraction","2000","15","","220","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525972","7.994","","7.994","","24.87","","90","","90","","120","","1376.37","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ge5 O (P O4)6","","- Ge5 O25 P6 -","- Ge5 O25 P6 -","- Ge15 O75 P18 -","3","0.166667","","Mayer, H.; Voellenkle, H.","Die Kristallstruktur von Ge5 O (P O4)6","Monatshefte fuer Chemie (-108,1977)","1972","103","","1560","1571","","","","","","","","","","","","","","","","","","","","","","has coordinates","147059","2020-10-21","18:00:00",""
"1526062","8.85","","8.85","","21.8","","90","","90","","120","","1478.68","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Mn0.5 Zr2 (P O4)3","","- Mn0.5 O12 P3 Zr2 -","- Mn0.5 O12 P3 Zr2 -","- Mn3 O72 P18 Zr12 -","6","0.333333","","Mouline, A.; Alami, M.; Brochu, R.; Olazcuaga, R.; Parent, C.; le Flem, G.","The structure and luminescent properties of Mn0.5 Zr2 (P O4)3","Materials Research Bulletin","2000","35","","899","908","","","","","","","","","","","","","","","","","","","","","","has coordinates","147168","2020-10-21","18:00:00",""
"1526260","5.0786","","5.0786","","13.985","","90","","90","","120","","312.378","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Fe Ti O3)0.8 (Fe2 O3)0.2","","- Fe1.2 O3 Ti0.8 -","- Fe1.2 O3 Ti0.8 -","- Fe7.2 O18 Ti4.8 -","6","0.333333","","Harrison, R.J.; Redfern, S.A.T.; Smith, R.I.","In-situ study of the R3- to R3-c phase transition in the ilmenite -hematite solid solution using time-of-flight neutron powder diffraction","American Mineralogist","2000","85","","194","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","147402","2020-10-21","18:00:00",""
"1526269","5.0828","","5.0828","","14.033","","90","","90","","120","","313.969","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Fe Ti O3)0.9 (Fe2 O3)0.1","","- Fe1.1 O3 Ti0.9 -","- Fe1.1 O3 Ti0.9 -","- Fe6.6 O18 Ti5.4 -","6","0.333333","","Harrison, R.J.; Redfern, S.A.T.; Smith, R.I.","In-situ study of the R3- to R3-c phase transition in the ilmenite -hematite solid solution using time-of-flight neutron powder diffraction","American Mineralogist","2000","85","","194","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","147411","2020-10-21","18:00:00",""
"1526274","5.15116","","5.15116","","14.2522","","90","","90","","120","","327.509","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Fe Ti O3","","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Harrison, R.J.; Redfern, S.A.T.; Smith, R.I.","In-situ study of the R3- to R3-c phase transition in the ilmenite -hematite solid solution using time-of-flight neutron powder diffraction","American Mineralogist","2000","85","","194","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526467","5.951","","5.951","","14.191","","90","","90","","120","","435.235","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na2 (Sn (O H)6)","","- H6 Na2 O6 Sn -","- H6 Na2 O6 Sn -","- H18 Na6 O18 Sn3 -","3","0.166667","","Jacobs, H.; Stahl, R.","Neubestimmung der Kristallstrukturen der Hexahydroxometallate Na2 Sn (O H)6, K2 Sn (O H)6 und K2 Pb (O H)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1863","1866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526469","6.541","","6.541","","12.813","","90","","90","","120","","474.755","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K2 (Sn (O H)6)","","- H6 K2 O6 Sn -","- H6 K2 O6 Sn -","- H18 K6 O18 Sn3 -","3","0.166667","","Jacobs, H.; Stahl, R.","Neubestimmung der Kristallstrukturen der Hexahydroxometallate Na2 Sn (O H)6, K2 Sn (O H)6 und K2 Pb (O H)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1863","1866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526619","13.852","","13.852","","35.19","","90","","90","","120","","5847.56","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K2 In12 Se19","","- In12 K2 Se19 -","- In12 K2 Se19 -","- In72 K12 Se114 -","6","0.333333","","Kienle, L.; Simon, A.","Microdomains and diffuse scattering in K2 In12 Se19","Journal of Solid State Chemistry","2001","161","","385","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","147843","2020-10-21","18:00:00",""
"1526681","12.368","","12.368","","11.83","","90","","90","","120","","1567.16","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","(Co (N H3)6) (Os (S C N)6)","","- C6 H18 Co N12 Os S6 -","- C6 H18 Co N12 Os S6 -","- C18 H54 Co3 N36 Os3 S18 -","3","0.166667","","Staehler, O.; Preetz, W.","Darstellung, Kristallstruktur, Schwingungsspektren und Normalkoordinatenanalyse von (Co (N H3)6) (Os (S C N)6)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2077","2080","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526720","5.561","","5.561","","26.24","","90","","90","","120","","702.749","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","La4 (Ti3 O12)","","- La4 O12 Ti3 -","- La4 O12 Ti3 -","- La12 O36 Ti9 -","3","0.166667","","Konstantinov, P.; Krezhov, K.; Svab, E.; Torok, G.; Meszaros, G.","Neutron powder diffraction refinement of the crystal structure of La4 Ti3 O12","Physik (Berlin)","2000","276","","260","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","147961","2020-10-21","18:00:00",""
"1526779","5.5809","","5.5809","","41.05579","","90","","90","","120","","1107.42","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba2 La4 (Ti5 O18)","","- Ba2 La4 O18 Ti5 -","- Ba2 La4 O18 Ti5 -","- Ba6 La12 O54 Ti15 -","3","0.166667","","Teneze, N.; Mercurio, D.; Frit, B.; Trolliard, G.","Cation-deficient perovskite-related compounds (Ba, La)n Tin-1 O3n (n=4,5 and 6): a Rietveld refinement from neutron powder diffraction data","Materials Research Bulletin","2000","35","","1603","1614","","","","","","","","","","","","","","","","","","","","","","has coordinates","148024","2020-10-21","18:00:00",""
"1526788","5.5672","","5.5672","","15.989","","90","","90","","120","","429.166","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Na (Bi O3)","","- Bi Na O3 -","- Bi Na O3 -","- Bi6 Na6 O18 -","6","0.333333","","Kumada, N.; Kinomura, N.; Sleight, A.W.","Neutron powder diffraction refinement of ilmenite-type bismuth oxides: A Bi O3 (A = Na, Ag)","Materials Research Bulletin","2000","35","","2397","2402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526865","16.214","","16.214","","11.172","","90","","90","","120","","2543.56","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na La6 Os I12","","- I12 La6 Na Os -","- I12 La6 Na Os -","- I36 La18 Na3 Os3 -","3","0.166667","","Uma, S.; Corbett, J.D.","Derivatization of the rhombohedral rare-earth-metal (R) cluster halides R7 (Z) X12: the new Na La6 (Os) I12","Journal of Solid State Chemistry","2001","161","","161","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527062","6.25","","6.25","","17.28","","90","","90","","120","","584.567","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Cr2 Se3 -","- Cr2 Se3 -","- Cr12 Se18 -","6","0.333333","","Adachi, Y.; Funahashi, S.; Kaneko, T.; Ohashi, M.; Yuzuri, M.; Yamaguchi, Y.; Morii, Y.","Magnetic structure of rhombohedral Cr2 Se3","Journal of the Physical Society of Japan","1994","63","","1548","1559","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527081","7.1067","","7.1067","","17.0867","","90","","90","","120","","747.351","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pd15 P2","","- P2 Pd15 -","- P2 Pd15 -","- P6 Pd45 -","3","0.166667","","Andersson, Y.","The crystal structure of Pd15 P2","Acta Chemica Scandinavica, Series A: (28,1974-)","1977","31","","354","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","148386","2020-10-21","18:00:00",""
"1527496","5.181","","5.181","","13.99","","90","","90","","120","","325.219","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li Bi F6","","- Bi F6 Li -","- Bi F6 Li -","- Bi3 F18 Li3 -","3","0.166667","","Hebecker, C.","Ueber Alkalihexafluorobismutate(V)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","376","","236","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527497","5.468","","5.468","","15.16","","90","","90","","120","","392.543","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Na Bi F6","","- Bi F6 Na -","- Bi F6 Na -","- Bi3 F18 Na3 -","3","0.166667","","Hebecker, C.","Ueber Alkalihexafluorobismutate(V)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","376","","236","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527498","7.712","","7.712","","7.889","","90","","90","","120","","406.337","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Rb Bi F6","","- Bi F6 Rb -","- Bi F6 Rb -","- Bi3 F18 Rb3 -","3","0.166667","","Hebecker, C.","Ueber Alkalihexafluorobismutate(V)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","376","","236","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527499","7.93","","7.93","","8.274","","90","","90","","120","","450.601","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs Bi F6","","- Bi Cs F6 -","- Bi Cs F6 -","- Bi3 Cs3 F18 -","3","0.166667","","Hebecker, C.","Ueber Alkalihexafluorobismutate(V)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","376","","236","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527518","5.25","","5.25","","13.96","","90","","90","","120","","333.223","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mg Pb F6","","- F6 Mg Pb -","- F6 Mg Pb -","- F18 Mg3 Pb3 -","3","0.166667","","Homann, R.; Hoppe, R.","Neue Hexafluoroplumbate(IV) Mg Pb F6, Zn Pb F6, Cd Pb F6, Hg Pb F6 und Ni Pb F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","368","","271","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527519","5.21","","5.21","","14.15","","90","","90","","120","","332.631","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zn Pb F6","","- F6 Pb Zn -","- F6 Pb Zn -","- F18 Pb3 Zn3 -","3","0.166667","","Homann, R.; Hoppe, R.","Neue Hexafluoroplumbate(IV) Mg Pb F6, Zn Pb F6, Cd Pb F6, Hg Pb F6 und Ni Pb F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","368","","271","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527520","5.21","","5.21","","14","","90","","90","","120","","329.105","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ni Pb F6","","- F6 Ni Pb -","- F6 Ni Pb -","- F18 Ni3 Pb3 -","3","0.166667","","Homann, R.; Hoppe, R.","Neue Hexafluoroplumbate(IV) Mg Pb F6, Zn Pb F6, Cd Pb F6, Hg Pb F6 und Ni Pb F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","368","","271","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527812","9.258","","9.258","","8.694","","90","","90","","120","","645.334","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Sc5.5 Nb1.5) O12","","- Nb1.5 O12 Sc5.5 -","- Nb1.49 O12 Sc5.51 -","- Nb4.47 O36 Sc16.53 -","3","0.166667","","Michel, D.; Perez y Jorba, M.; Kahn, A.","Etude structurale des phases Sc5.5 Nb1.5 O12 et Sc5.5 Ta1.5 O12. Ordre des cations dans les composes (A, B)7 O12 de type Y6 U O12","Materials Research Bulletin","1976","11","","857","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","149575","2020-10-21","18:00:00",""
"1527894","5.36","","5.36","","14.19","","90","","90","","120","","353.055","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cd Ti F6","","- Cd F6 Ti -","- Cd F6 Ti -","- Cd3 F18 Ti3 -","3","0.166667","","Odenthal, R.H.; Hoppe, R.","Ueber hexafluorotitanate(IV): M Ti F6 mit M=Zn, Cd, Mn, Co, Ni","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","384","","104","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528127","9.68","","9.68","","8.96","","90","","90","","120","","727.092","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Yb4 O12","","- O12 Yb4 Zr3 -","- O12 Yb3.997 Zr3.003 -","- O36 Yb11.991 Zr9.009 -","3","0.166667","","Thornber, M.R.; Bevan, D.J.M.","Mixed oxides of the type M O2 (fluorite)-M2 O3. IV. Crystal structures of the high- and low-temperature forms of Zr3 Yb4 O12","Journal of Solid State Chemistry","1970","1","","536","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","150066","2020-10-21","18:00:00",""
"1528146","5.464","","5.464","","15.267","","90","","90","","120","","394.735","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li8 Sn O6","","- Li8 O6 Sn -","- Li8 O6 Sn -","- Li24 O18 Sn3 -","3","0.166667","","Troemel, M.; Hauck, J.","Die Kristallstruktur von Li8 Sn O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","368","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528239","11.004","","11.004","","34.592","","90","","90","","120","","3627.5","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Ce2 Mg3 (N O3)12 (H2 O)24","","- Ce2 H48 Mg3 N12 O60 -","- Ce2 H48 Mg3 N12 O60 -","- Ce6 H144 Mg9 N36 O180 -","3","0.166667","","Zalkin, A.; Forrester, J.D.; Templeton, D.H.","Crystal structure of cerium magnesium nitrate hydrate","Journal of Chemical Physics","1963","39","","2881","2891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528392","14.1857","","14.1857","","9.4879","","90","","90","","120","","1653.49","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Zn V O4","","- Li1.048 O4 V0.974 Zn0.982 -","- Li1.048 O4 V0.974 Zn0.982 -","- Li18.864 O72 V17.532 Zn17.676 -","18","1","","Capsoni, D.; Bini, M.; Massarotti, V.; Mustarelli, P.; Belotti, F.; Galinetto, P.","Cation distribution in Li Mg V O4 and Li Zn V O4: structural and spectroscopic study","J. Phys. Chem. B","2006","110","","5409","5415","","","","","","","","","","","","","","","","","","","","","","has coordinates","150555","2020-10-21","18:00:00",""
"1528650","15.1755","","15.1755","","64.3817","","90","","90","","120","","12840.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(K Si (Si (C H3)2 (O C H3))3)4","","- C36 H108 K4 O12 Si16 -","- C36 H108 K4 O12 Si16 -","- C216 H648 K24 O72 Si96 -","6","0.333333","","Krempner, C.; Chisholm, M.H.; Gallucci, J.","The multidentate ligand (Me O Me2 Si)3 Si(-): unusual coordination modes in alkali metal silanides","Angew. Chem. Int. ed.","2008","47","","410","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","151157","2020-10-21","18:00:00",""
"1528689","5.09227","","5.09227","","14.04","","90","","90","","120","","315.298","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Zn0.333 Mn0.37 Mg0.3) Ti O3","","- Mg0.3 Mn0.37 O3 Ti Zn0.333 -","- Mg0.3 Mn0.37 O3 Ti Zn0.33 -","- Mg1.8 Mn2.22 O18 Ti6 Zn1.98 -","6","0.333333","","Liferovich, R.P.; Mitchell, R.H.","Mn, Mg, and Zn ilmenite group titanates: a reconnaissance Rietveld study","Kristallografiya","2006","51","","417","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528690","5.06683","","5.06683","","13.9224","","90","","90","","120","","309.54","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Zn0.54 Mg0.46) Ti O3","","- Mg0.46 O3 Ti Zn0.54 -","- Mg0.46 O3 Ti Zn0.54 -","- Mg2.76 O18 Ti6 Zn3.24 -","6","0.333333","","Liferovich, R.P.; Mitchell, R.H.","Mn, Mg, and Zn ilmenite group titanates: a reconnaissance Rietveld study","Kristallografiya","2006","51","","417","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528818","12.857","","12.857","","7.161","","90","","90","","120","","1025.14","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cu6.78 V6 O18.78","","- Cu6.78 O18.78 V6 -","- Cu6.78 O18.7804 V6 -","- Cu20.34 O56.3412 V18 -","3","0.166667","","Rea, J.R.; Kostiner, E.","The crystal structure of alpha-copper vanadate","Journal of Solid State Chemistry","1973","7","","17","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","151530","2020-10-21","18:00:00",""
"1528904","10.615","","10.615","","19.547","","90","","90","","120","","1907.44","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sr4 Lu3 F17","","- F17 Lu3 Sr4 -","- F17.0001 Lu3 Sr4 -","- F102.001 Lu18 Sr24 -","6","0.333333","","Sul'yanova, E.A.; Molchanov, V.N.; Sobolev, B.P.; Sul'yanov, S.N.; Verin, I.A.","Nanostructured crystals of the fluorite phases Sr(1-x) R(x) F(2+x) (R = rare-earth elements) and their ordering: II. Crystal structure of the ordered Sr4 Lu3 F17 phase","Kristallografiya","2009","54","","554","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","151719","2020-10-21","18:00:00",""
"1528944","12.82","","12.82","","32.27","","90","","90","","120","","4593.1","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","C60 Br13.42 Cl10.58 (Ti Cl4)","","- C60 Br13.42 Cl14.58 Ti -","- C60 Br13.404 Cl14.68 Ti -","- C180 Br40.212 Cl44.04 Ti3 -","3","0.166667","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529088","29.5994","0.0013","29.5994","0.0013","52.255","0.004","90","","90","","120","","39648","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper cyanide","","- C133 H99 Cu5.5 N17 O31 -","- C132 H99 Cu5.5 N15 O27 -","- C792 H594 Cu33 N90 O162 -","6","0.333333","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1428","0.0881","","","0.2481","0.2828","","","","","","0.774","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529237","12.9503","0.0003","12.9503","0.0003","32.0771","0.001","90","","90","","120","","4658.9","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Catena-tetrakis(mu~3~-1,3-diethyl-2-thiobarbiturato-O,O',S)-dilead(II)","","- C16 H22 N4 O4 Pb S2 -","- C16 H22 N4 O4 Pb S2 -","- C144 H198 N36 O36 Pb9 S18 -","9","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Golovneva, Irina","The crystal structure of lead(II) 1,3-diethyl-2-thiobarbiturate","Russian Journal of Coordination Chemistry","2015","41","5","300","","10.1134/S1070328415050012","","","0.71073","MoKα","","0.0369","0.0226","","","0.0381","0.0415","","","","","","1.009","","","","has coordinates,has Fobs","152364","2020-10-21","18:00:00",""
"1529261","25.0795","0.0018","25.0795","0.0018","13.9752","0.0013","90","","90","","120","","7612.5","1","135","0.5","135","0.5","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H19 N O -","- C20 H19 N O -","- C360 H342 N18 O18 -","18","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0699","0.0483","","","0.1181","0.1262","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529616","5.068","","5.068","","13.932","","90","","90","","120","","309.897","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Mg0.208 Fe.955 Ti.833 O3","","- Fe0.955 Mg0.208 O3 Ti0.833 -","- Fe0.96 Mg0.21 O3 Ti0.83 -","- Fe5.76 Mg1.26 O18 Ti4.98 -","6","0.333333","","Belokoneva, E.L.; Garanin, V.K.; Simonov, M.A.; Kudryavtseva, G.P.; Belov, N.V.","Crystal structure of ilmenite from yakutsk kimberlites","Doklady Akademii Nauk SSSR","1978","242","","330","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","154092","2020-10-21","18:00:00",""
"1529675","24.78","","24.78","","13.195","","90","","90","","120","","7016.86","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","((N H2 C O N H2)6 Cr) (Co (N H3)2 (N O2)4)3 (H2 O)3","","- C6 H24 Co3 Cr N30 O33 -","- C6 H48 Co3 Cr N30 O33 -","- C36 H288 Co18 Cr6 N180 O198 -","6","0.333333","","Bondar, V.I.; Belov, N.V.; Kurkutova, E.N.; Ilyukhin, V.V.; Rau, V.G.","The crystal structure of the complex compound (Cr (O C N2 H4)6) (Co (N H3)2 (N O2)4)3 (H2 O)3","Doklady Akademii Nauk SSSR","1979","244","","358","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1529753","9.708","","9.708","","10.058","","90","","90","","120","","820.922","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Mn (Ti F6) (H2 O)6","","- F6 H12 Mn O6 Ti -","- F6 H12 Mn O6 Ti -","- F18 H36 Mn3 O18 Ti3 -","3","0.166667","","Chattopadhyay, T.K.; Devreux, F.; Peters, K.; Peters, E.M.; Gmelin, E.; Ghosh, B.","Crystal structure and phase transitions in Mn Ti F6 6(H2 0) and Zn Ti F6 6(H2 O)","Journal of Physics C","1988","21","","1321","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529754","9.584","","9.584","","9.932","","90","","90","","120","","790.062","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Zn (Ti F6) (H2 O)6","","- F6 H12 O6 Ti Zn -","- F6 H12 O6 Ti Zn -","- F18 H36 O18 Ti3 Zn3 -","3","0.166667","","Chattopadhyay, T.K.; Devreux, F.; Peters, K.; Ghosh, B.; Gmelin, E.; Peters, E M.","Crystal structure and phase transitions in Mn Ti F6 6(H2O) and Zn Ti F6 6(H2 O)","Journal of Physics C","1988","21","","1321","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529801","10.817","","10.817","","19.942","","90","","90","","120","","2020.75","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Pb8 Y6 O F32","","- F32 O Pb8 Y6 -","- F32 O Pb8 Y6 -","- F96 O3 Pb24 Y18 -","3","0.166667","","Dib, A.; Aleonard, S.","Structure cristalline de Pb8 Y6 F32 O","Journal of Solid State Chemistry","1986","64","","148","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529820","4.808","","4.808","","14.21","","90","","90","","120","","284.481","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li As O3","","- As Li O3 -","- As Li O3 -","- As6 Li6 O18 -","6","0.333333","","Driss, A.; Jouini, T.","Structure cristalline d'une nouvelle variete polymorphique de Li As O3","Journal of Solid State Chemistry","1989","78","","126","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529843","7.904","","7.904","","8.261","","90","","90","","120","","446.948","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs (Sb F6)","","- Cs F6 Sb -","- Cs F6 Sb -","- Cs3 F18 Sb3 -","3","0.166667","","de Steyn, M.M.V.; English, R.B.; Heyns, A.M.","X-ray and Raman studies of single crystals of Cs Sb F6","Journal of Crystallographic and Spectroscopic Research","1984","14","","505","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529867","17.622","0.005","17.622","0.005","37.634","0.011","90","","90","","120","","10121","5","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H60 Cl9 N6 O6 P3 -","- C66 H60 Cl9 N6 O6 P3 -","- C396 H360 Cl54 N36 O36 P18 -","6","0.333333","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.088","0.0459","","","0.1168","0.1465","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530093","10.468","","10.468","","9.982","","90","","90","","120","","947.274","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","La6 U O12","","- La6 O12 U -","- La6 O12 U -","- La18 O36 U3 -","3","0.166667","","Hinatsu, Y.; Fujino, T.; Masaki, N.","The Crystal Structure of La6 U O12","Journal of Solid State Chemistry","1988","73","","567","571","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530094","12.908","","12.908","","24.82","","90","","90","","120","","3581.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sr9 Nd5 Cl33","","- Cl33 Nd5 Sr9 -","- Cl33.002 Nd5.034 Sr8.964 -","- Cl99.006 Nd15.102 Sr26.892 -","3","0.166667","","Hodorowicz, S.A.; Olejak-Chodan, M.; Eick, H.A.","A preparatory and X-ray diffraction study of the Sr Cl2 Nd Cl3 system","Journal of Solid State Chemistry","1987","71","","205","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","155066","2020-10-21","18:00:00",""
"1530107","7.853","","7.853","","8.14","","90","","90","","120","","434.737","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs Re F6","","- Cs F6 Re -","- Cs F6 Re -","- Cs3 F18 Re3 -","3","0.166667","","Hoskins, B.F.; Linden, A.; Mulvaney, P.C.; O'Donnell, T.A.","The structures of barium hexafluorosilicate and cesium hexafluororhenate(V)","Inorganica Chimica Acta","1984","88","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530471","13.367","","13.367","","19","","90","","90","","120","","2940.03","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Br (Se Br2)2) (As F6)","","- As Br5 F6 Se2 -","- As Br5 F5.99733 Se2 -","- As9 Br45 F53.976 Se18 -","9","0.5","","Murchie, M.; Passmore, J.; White, P.S.","The characterization and X-ray crystal structure of pentabromodiselenium hexafluoroarsenate, Se2 Br5 As F6. Some thermodynamic considerations and the nonexistence of Se2 I5 As F6","Canadian Journal of Chemistry","1987","65","","1584","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530487","5.076","","5.076","","14.032","","90","","90","","120","","313.107","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Fe0.6 Co0.4) (Ti O3)","","- Co0.4 Fe0.6 O3 Ti -","- Co0.4 Fe0.6 O3 Ti -","- Co2.4 Fe3.6 O18 Ti6 -","6","0.333333","","Newsam, J.M.; Takei, H.; Endoh, Y.; Ishikawa, Y.","Powder neutron diffraction studies of the mixed ilmenite system Fe0.6 Co0.4 Ti O3","Journal of Physics C","1986","19","","1273","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530525","17.034","","17.034","","21.26","","90","","90","","120","","5342.29","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Bi0.5 Sb1.5 (P O4)3","","- Bi0.5 O12 P3 Sb1.5 -","- Bi0.5 O12 P3 Sb1.5 -","- Bi12 O288 P72 Sb36 -","24","1.33333","","Oyetola, A.; Verbaere, A.; Guyomard, D.; Piffard, Y.","Bi(III)05 Sb(V)1.5 (P O4)3: A new type of M2 (X O4)3 framework related to garnet and Nasicon","Journal of Solid State Chemistry","1988","77","","102","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","155650","2020-10-21","18:00:00",""
"1530636","4.966","","4.966","","14.0845","","90","","90","","120","","300.805","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cu V O3","","- Cu O3 V -","- Cu O3 V -","- Cu6 O18 V6 -","6","0.333333","","Rea, J.R.; Kostiner, E.","The crystal structure of Cu V O3 (II), a high-pressure Ilmenite phase","Journal of Solid State Chemistry","1973","7","","163","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530786","9.429","","9.429","","22.529","","90","","90","","120","","1734.62","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na4 Zr2 (Ge O4)3","","- Ge3 Na4 O12 Zr2 -","- Ge3 Na4 O12 Zr2 -","- Ge18 Na24 O72 Zr12 -","6","0.333333","","Sizova, R.G.; Blinov, V.A.; Kuznetsov, V.A.; Ilyukhin, V.V.; Voronkov, A.A.; Belov, N.V.","The crystal structure of Na4 Zr2 Ge3 O12","Doklady Akademii Nauk SSSR","1978","238","","855","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","155992","2020-10-21","18:00:00",""
"1530943","7.476","","7.476","","18.315","","90","","90","","120","","886.495","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Pb4.92 Nb4.42 Zn.575 O16.55","","- Nb4.42 O16.55 Pb4.92 Zn0.575 -","- Nb4.419 O16.5516 Pb4.92 Zn0.579 -","- Nb4.419 O16.5516 Pb4.92 Zn0.579 -","1","0.0555556","","Vandenborre, M.T.; Chubb, M.","Etude structurale d'un compose non stoechiometrique de formule Pb1.97 Nb1.77 Zn.23 O6.66","Revue de Chimie Minerale","1984","21","","129","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","156177","2020-10-21","18:00:00",""
"1530983","20.035","","20.035","","32.844","","90","","90","","120","","11417.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Rb8 (As2 Co W20 O68 (H2 O)2) (H2 O)10","","- As2 Co0.99 O75.9999 Rb8.01 W19.98 -","- As2 Co0.99 O75.9999 Rb8.01 W19.98 -","- As12 Co5.94 O455.999 Rb48.06 W119.88 -","6","0.333333","","Weakley, T.J.R.","The crystal structures of rubidium 20-tungstocobalto(II) diarsenate(III) hydrate Rb8 (As2 Co W20 O68 (O H2)2) (H2 O)10 and its zinc analogue","Inorganica Chimica Acta","1984","87","","13","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","156230","2020-10-21","18:00:00",""
"1530984","20.03","","20.03","","32.8","","90","","90","","120","","11396.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Rb8 (As2 Zn W20 O68 (O H2)2) (H2 O)12","","- As2 O75.9999 Rb8.01 W19.98 Zn0.99 -","- As2 O75.9999 Rb8.01 W19.98 Zn0.99 -","- As12 O455.999 Rb48.06 W119.88 Zn5.94 -","6","0.333333","","Weakley, T.J.R.","The crystal structures of rubidium 20-tungstocobalto(II) diarsenate(III) hydrate Rb8 (As2 Co W20 O68 (O H2)2) (H2 O)10 and its zinc analogue","Inorganica Chimica Acta","1984","87","","13","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","156231","2020-10-21","18:00:00",""
"1531048","8.51","","8.51","","21.087","","90","","90","","120","","1322.53","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Mn0.5 Ti2 (P O4)3","","- Mn0.5 O12 P3 Ti2 -","- Mn0.5 O12 P3 Ti2 -","- Mn3 O72 P18 Ti12 -","6","0.333333","","Aatiq, A.; Menetrier, M.; El Jazouli, A.; Delmas, C.","Structural and lithium intercalation studies of Mn0.5-x Cax Ti2 (P O4)3 phases (0 <= x <= 0.5)","Solid State Ionics","2002","150","","391","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","156361","2020-10-21","18:00:00",""
"1531049","8.425","","8.425","","21.576","","90","","90","","120","","1326.3","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Mn0.25 Ca0.25 Ti2 (P O4)3","","- Ca0.25 Mn0.25 O12 P3 Ti2 -","- Ca0.25 Mn0.25 O12 P3 Ti2 -","- Ca1.5 Mn1.5 O72 P18 Ti12 -","6","0.333333","","Aatiq, A.; Menetrier, M.; El Jazouli, A.; Delmas, C.","Structural and lithium intercalation studies of Mn0.5-x Cax Ti2 (P O4)3 phases (0 <= x <= 0.5)","Solid State Ionics","2002","150","","391","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","156362","2020-10-21","18:00:00",""
"1531168","8.07117","","8.07117","","9.513","","90","","90","","120","","536.687","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li3 Al D6","","- Al D6 Li3 -","- Al D6 Li3 -","- Al6 D36 Li18 -","6","0.333333","","Brinks, H.W.; Hauback, B.C.","The structure of Li3 Al D6","Journal of Alloys Compd.","2003","354","","143","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531318","9.1122","","9.1122","","25.178","","90","","90","","120","","1810.5","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Tl2 V (Cl12 (Nb Cl)6)","","- Cl18 Nb6 Tl2 V -","- Cl18 Nb6 Tl2 V -","- Cl54 Nb18 Tl6 V3 -","3","0.166667","","Duraisamy, T.; Qualls, J.S.; Lachgar, A.","A2 V Nb6 Cl18 (A = Rb, In, Tl): synthesis, crystal structure and magnetic properties of a new series of quaternary niobium chloride cluster compounds","Journal of Solid State Chemistry","2003","170","","227","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531406","5.02018","","5.02018","","13.5588","","90","","90","","120","","295.931","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li (Rh F6)","","- F6 Li Rh -","- F6 Li Rh -","- F18 Li3 Rh3 -","3","0.166667","","Fitz, H.; Mueller, B.G.; Grandejus, O.; Bartlett, N.","Einkristalluntersuchungen an Li M F6 (M = Rh, Ir), Li2 Rh F6 und K2 Ir F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","133","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531409","5.06148","","5.06148","","13.626","","90","","90","","120","","302.311","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li (Ir F6)","","- F6 Ir Li -","- F6 Ir Li -","- F18 Ir3 Li3 -","3","0.166667","","Fitz, H.; Mueller, B.G.; Grandejus, O.; Bartlett, N.","Einkristalluntersuchungen an Li M F6 (M = Rh, Ir), Li2 Rh F6 und K2Ir F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","133","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531637","15.958","","15.958","","10.841","","90","","90","","120","","2390.88","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Na0.9 Pr0.1) (Pr6 I12 Ir)","","- I12 Ir Na0.9 Pr6.1 -","- I12 Ir Na0.9 Pr6.1 -","- I36 Ir3 Na2.7 Pr18.3 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Alteration of rare-earth-metal cluster iodides R (R6 I12 Z) through cation substitution","Journal of Solid State Chemistry","2003","172","","132","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531639","16.142","","16.142","","11.122","","90","","90","","120","","2509.74","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Na0.954 La0.046) (La6 I12 Fe)","","- Fe I12 La6.046 Na0.954 -","- Fe I12 La6.046 Na0.954 -","- Fe3 I36 La18.138 Na2.862 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Alteration of rare-earth-metal cluster iodides R (R6 I12 Z) through cation substitution","Journal of Solid State Chemistry","2003","172","","132","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531642","16.009","","16.009","","11.099","","90","","90","","120","","2463.45","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Na0.801 La0.199) (La6 I12 Co)","","- Co I12 La6.199 Na0.801 -","- Co I12 La6.199 Na0.801 -","- Co3 I36 La18.597 Na2.403 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Alteration of rare-earth-metal cluster iodides R (R6 I12 Z) through cation substitution","Journal of Solid State Chemistry","2003","172","","132","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531691","9.486","","9.486","","13.774","","90","","90","","120","","1073.39","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K (Te3 O6 F)","","- F K O6 Te3 -","- F K O6 Te3 -","- F6 K6 O36 Te18 -","6","0.333333","","Laval, J.P.; Guillet, L.; Frit, B.","K Te3 O6 F: a new layer Te O2 structure, stuffed with K F units","Solid State Sciences","2002","4","","549","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531925","5.344","","5.344","","34.327","","90","","90","","120","","848.984","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Cu3 Mg2 Sb O6","","- Cu3 Mg2 O6 Sb -","- Cu3 Mg2 O6 Sb -","- Cu18 Mg12 O36 Sb6 -","6","0.333333","","Nagarajan, R.; Uma, S.; Jayaraj, M.K.; Tate, J.; Sleight, A.W.","New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure","Solid State Sciences","2002","4","","787","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531934","11.607","","11.607","","14.66","","90","","90","","120","","1710.43","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Mn (C4 O4) (H2 O)2","","- C4 H4 Mn O6 -","- C4 Mn O6 -","- C36 Mn9 O54 -","9","0.5","","Neeraj, S.; Noy, M.L.; Rao, C.N.R.; Cheetham, A.K.","Sodalite networks formed by metal squarates","Solid State Sciences","2002","4","","1231","1236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532106","5.02899","","5.02899","","22.345","","90","","90","","120","","489.41","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba (Ni2 V2 O8)","","- Ba Ni2 O8 V2 -","- Ba Ni2 O8 V2 -","- Ba3 Ni6 O24 V6 -","3","0.166667","","Rogado, N.; Lynn, J.W.; Huang, Q.; Ramirez, A.P.; Huse, D.; Cava, R.J.","Ba Ni2 V2 O8 : a two-dimensional honeycomb antiferromagnet","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","65","","144443-1","144443-7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532107","9.088","","9.088","","8.5443","","90","","90","","120","","611.144","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ti3 Sc4 O12","","- O12 Sc4 Ti3 -","- O12 Sc3.9996 Ti2.9998 -","- O36 Sc11.9988 Ti8.9994 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157747","2020-10-21","18:00:00",""
"1532108","9.259","","9.259","","8.7083","","90","","90","","120","","646.535","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Nb1.498 Sc5.502 O12.000","","- Nb1.498 O12 Sc5.502 -","- Nb1.498 O12 Sc5.502 -","- Nb4.494 O36 Sc16.506 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157748","2020-10-21","18:00:00",""
"1532109","9.2746","","9.2746","","8.7224","","90","","90","","120","","649.766","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb Sc6 O11 F","","- F Nb O11 Sc6 -","- F0.9996 Nb O11.0004 Sc6 -","- F2.9988 Nb3 O33.0012 Sc18 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532110","9.2964","","9.2964","","8.7185","","90","","90","","120","","652.532","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb Sc5 Hf O12","","- Hf Nb O12 Sc5 -","- Hf0.9996 Nb O12 Sc4.998 -","- Hf2.9988 Nb3 O36 Sc14.994 -","3","0.166667","","Rossell, H.J.","Crystal structures of some fluorite-related M7 O12 compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532111","9.371","","9.371","","8.706","","90","","90","","120","","662.096","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Hf3 Sc4 O12","","- Hf3 O12 Sc4 -","- Hf3.03 O12 Sc3.97 -","- Hf9.09 O36 Sc11.91 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157751","2020-10-21","18:00:00",""
"1532112","9.657","","9.657","","9.0235","","90","","90","","120","","728.769","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Yb4 O12","","- O12 Yb4 Zr3 -","- O12 Yb4.0002 Zr2.9998 -","- O36 Yb12.0006 Zr8.9994 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157752","2020-10-21","18:00:00",""
"1532113","9.7102","","9.7102","","9.0804","","90","","90","","120","","741.467","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr3 Er4 O12","","- Er4 O12 Zr3 -","- Er4.0002 O12 Zr2.9998 -","- Er12.0006 O36 Zr8.9994 -","3","0.166667","","Rossell, H.J.","Crystal Structures of Some Fluorite-Related M7 O12 Compounds","Journal of Solid State Chemistry","1976","19","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","157753","2020-10-21","18:00:00",""
"1532149","15.4232","","15.4232","","19.1816","","90","","90","","120","","3951.52","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs2 (U4 O12)","","- Cs2 O12 U4 -","- Cs2 O12 U4 -","- Cs24 O144 U48 -","12","0.666667","","Van den Berghe, S.; Laval, J.P.; Verwerft, M.; Gaudreau, B.; Suard, E.","Study of the pyrochlore-related structure of alpha-(Cs2 U4 O12) by powder neutron and X-ray diffraction","Solid State Sciences","2002","4","","1257","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","157803","2020-10-21","18:00:00",""
"1532466","43.2165","0.0013","43.2165","0.0013","12.4664","0.0004","90","","90","","120","","20163.7","1.1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C138 H129 F18 N3 O18 P3 -","- C138 H129 F18 N3 O18 P3 -","- C828 H774 F108 N18 O108 P18 -","6","0.333333","","Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei","Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities","Chem. Sci.","2015","6","12","6731","","10.1039/C5SC03251B","","","1.54178","CuKα","","0.0862","0.0712","","","0.2035","0.2243","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532568","11.1787","","11.1787","","20.5789","","90","","90","","120","","2227.08","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 (Eu3 F17)","","- Ba4 Eu3 F17 -","- Ba4 Eu3 F17.001 -","- Ba24 Eu18 F102.006 -","6","0.333333","","Achary, S.N.; Patwe, S.J.; Tyagi, A.K.","Powder XRD study of Ba4 Eu3 F17","Powder Diffraction","2002","17","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","158500","2020-10-21","18:00:00",""
"1532603","12.6293","","12.6293","","7.0121","","90","","90","","120","","968.584","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba V13 O18","","- Ba O18 V13 -","- Ba O18 V13 -","- Ba3 O54 V39 -","3","0.166667","","Iwasaki, K.; Takizawa, H.; Yamane, H.; Kubota, S.; Takahashi, J.; Endo, T.; Uheda, K.","Synthesis, crystal structure refinement, electrical and magnetic properties of Ba V13 O18 and Sr V13 O18","Materials Research Bulletin","2003","38","","141","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532604","12.5491","","12.5491","","6.9878","","90","","90","","120","","953.007","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sr V13 O18","","- O18 Sr V13 -","- O18 Sr V13 -","- O54 Sr3 V39 -","3","0.166667","","Iwasaki, K.; Takizawa, H.; Takahashi, J.; Yamane, H.; Kubota, S.; Uheda, K.; Endo, T.","Synthesis, crystal structure refinement, electrical and magnetic properties of Ba V13 O18 and Sr V13 O18","Materials Research Bulletin","2003","38","","141","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532615","8.017","","8.017","","9.455","","90","","90","","120","","526.279","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li3 (Al H6)","","- Al H6 Li3 -","- Al H6 Li3 -","- Al6 H36 Li18 -","6","0.333333","","Chung Saicheong; Morioka, H.","Thermochemistry and crystal structures of lithium, sodium and potassium alanates as determined by ab initio simulations","Journal of Alloys Compd.","2004","372","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532656","11.1096","","11.1096","","17.1987","","90","","90","","120","","1838.33","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nd2 Ca2 (Mn O7)","","- Ca2 Mn Nd2 O7 -","- Ca2 Mn Nd2 O7.00005 -","- Ca24 Mn12 Nd24 O84.0006 -","12","0.666667","","Wang Yingxia; Bie Lijian; Du Yu; Lin Jianhua; Richardson, J.W.jr.; You Liping; Loong Chun-K","Hexagonal perovskite-intergrowth manganates: Ln2 Ca2 Mn O7 (Ln= La, Nd and Sm)","Journal of Solid State Chemistry","2004","177","","65","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532682","10.384","","10.384","","26.55","","90","","90","","120","","2479.27","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb2 O3 (S O4)2 (H2 O)0.25","","- H0.5 Nb2 O11.25 S2 -","- H0.25 Nb2 O11.25 S2 -","- H3 Nb24 O135 S24 -","12","0.666667","","Bostroem, M.; Gemmi, M.; Schnelle, W.; Eriksson, L.","Synthesis, properties and structure determination of Nb2 O3 (S O4)2 * 0.25(H2 O) from neutron and synchrotron X-ray powder diffraction data","Journal of Solid State Chemistry","2004","177","","1738","1745","","","","","","","","","","","","","","","","","","","","","","has coordinates","158637","2020-10-21","18:00:00",""
"1532809","8.351","","8.351","","22.87","","90","","90","","120","","1381.26","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr Cr Sn (P O4)3","","- Cr O12 P3 Sn Sr -","- Cr O12 P3 Sn Sr -","- Cr6 O72 P18 Sn6 Sr6 -","6","0.333333","","Buvaneswari, G.; Govindan Kutty, K.V.; Varadaraju, U.V.","Thermal expansion behaviour of sodium zirconium phosphate structure type phosphates containing tin","Materials Research Bulletin","2004","39","","475","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532813","8.398","","8.398","","22.874","","90","","90","","120","","1397.09","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr Fe Sn (P O4)3","","- Fe O12 P3 Sn Sr -","- Fe O12 P3 Sn Sr -","- Fe6 O72 P18 Sn6 Sr6 -","6","0.333333","","Buvaneswari, G.; Govindan Kutty, K.V.; Varadaraju, U.V.","Thermal expansion behaviour of sodium zirconium phosphate structure type phosphates containing tin","Materials Research Bulletin","2004","39","","475","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532824","19.7441","","19.7441","","17.9196","","90","","90","","120","","6049.7","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr49.86 Sc12.14 O118","","- O118 Sc12.14 Zr49.86 -","- O118 Sc12.1426 Zr49.8574 -","- O354 Sc36.4278 Zr149.572 -","3","0.166667","","Wurst, K.; Wallwork, K.S.; Schweda, E.; Bevan, D.J.M.; Mohyla, J.; Hofmann, M.","Single-crystal structure determination of Zr50 Sc12 O118","Solid State Sciences","2003","5","","1491","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","158814","2020-10-21","18:00:00",""
"1533035","10.713","","10.713","","60.67","","90","","90","","120","","6030.13","","","","","","","","","","","","","13","R -3 :H","-R 3","148","","(Ba3.6 K2.4) (Ce1.95 Sr0.1 Ca0.05) (Ti2.7 Nb0.3) (Fe0.62 Mn0.38) Na2 (Si2.9 Fe0.1 O9)3 (Si O3 O H)3 (O H)3 ((O H)1.75 (H2 O)4.25)","","- Ba3.6 Ca0.05 Ce1.95 Fe0.92 H16.25 K2.4 Mn0.38 Na2 Nb0.3 O48 Si11.7 Sr0.1 Ti2.7 -","- Ba3.6 Ca0.051 Ce1.95 Fe0.914 K2.4 Mn0.383 Na2 Nb0.3 O48 Si11.703 Sr0.099 Ti2.7 -","- Ba21.6 Ca0.306 Ce11.7 Fe5.484 K14.4 Mn2.298 Na12 Nb1.8 O288 Si70.218 Sr0.594 Ti16.2 -","6","0.333333","","Rastsvetaeva, R.K.; Ma, Z.; Khomyakov, A.P.; Rozenberg, K.A.; Xiong, M.; Shi, N.","Crystal structure of the K, Ti analogue of ilimaussite, the first representative of silicates with isolated (Si3 O9) rings and (Si O3 O H) tetrahedra","Doklady Akad. Nauk","2003","388","","64","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533098","11.23","","11.23","","20.7766","","90","","90","","120","","2269.16","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba4 Bi3 F17 -","- Ba4 Bi3 F17.0001 -","- Ba24 Bi18 F102.001 -","6","0.333333","","Dombrovski, E.N.; Serov, T.V.; Ardashnikova, E.I.; Abakumov, A.M.; Dolgikh, V.A.; van Tendeloo, G.","The structural investigation of Ba4 Bi3 F17","Journal of Solid State Chemistry","2004","177","","312","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533446","21.042","","21.042","","12.159","","90","","90","","120","","4662.33","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y (P O3)3","","- O9 P3 Y -","- O9 P3 Y -","- O216 P72 Y24 -","24","1.33333","","Graia, M.; Driss, A.; Jouini, T.","Crystal structure of three polymorphs of Y (P O3)3","Solid State Sciences","2003","5","","393","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533489","11.2818","","11.2818","","20.7788","","90","","90","","120","","2290.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 (Nd3 F17)","","- Ba4 F17 Nd3 -","- Ba4 F17.001 Nd3 -","- Ba24 F102.006 Nd18 -","6","0.333333","","Grover, V.; Patwe, S.J.; Achary, S.N.; Tyagi, A.K.","Synthesis and structural elucidation of Ba4 Nd3 F17: a powder XRD study","Powder Diffraction","2002","17","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","159734","2020-10-21","18:00:00",""
"1533775","11.0526","","11.0526","","17.1161","","90","","90","","120","","1810.77","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sm2 Ca2 (Mn O7)","","- Ca2 Mn O7 Sm2 -","- Ca2 Mn O7.00005 Sm2 -","- Ca24 Mn12 O84.0006 Sm24 -","12","0.666667","","Bie Lijian; Li Guobao; Liao Fuhui; Lin Jianhua","Structure variation and phase relationship of the hexagonal perovskite system La2 Ca2 Mn O7 - Sm2 Ca2 Mn O7","Gaodeng Xuexiao Huaxue Xuebao","2003","24","","753","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533783","5.5172","","5.5172","","13.2694","","90","","90","","120","","349.8","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","La (Ni0.5 Mn0.5) O3","","- La Mn0.5 Ni0.5 O3 -","- La Mn0.5 Ni0.5 O3 -","- La6 Mn3 Ni3 O18 -","6","0.333333","","Blasco, J.; Garcia, J.; Sanchez, M.C.; Campo, J.; Subias, G.; Perez-Cacho, J.","Magnetic properties of La Ni1-x Mnx O3+d perovskites","The European Physical Journal B","2002","30","","469","479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533787","10.819","","10.819","","19.9513","","90","","90","","120","","2022.44","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Pb4 Er3 F17","","- Er3 F17 Pb4 -","- Er3 F17.0001 Pb4 -","- Er18 F102.001 Pb24 -","6","0.333333","","Tyagi, A.K.; Patwe, S.J.; Achary, S.N.; Mallia, M.B.","Phase relation studies in Pb1-x M'x F2+x systems (0.0 < x < 1.0; M'= Nd(3+), Eu(3+) and Er (3+))","Journal of Solid State Chemistry","2004","177","","1746","1757","","","","","","","","","","","","","","","","","","","","","","has coordinates","160065","2020-10-21","18:00:00",""
"1533819","10.222","","10.222","","19.667","","90","","90","","120","","1779.67","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Al77.69 Fe25.46 Si19.85 -","- Al77.691 Fe25.479 Si19.83 -","- Al77.691 Fe25.479 Si19.83 -","1","0.0555556","","Sugiyama, K.; Kaji, N.; Hiraga, K.","Crystal structure of rhombohedral lambda-(Al Fe Si)","Journal of Alloys Compd.","2004","368","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534150","5.7586","","5.7586","","26.7946","","90","","90","","120","","769.506","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ca6 Al3 (O H)18 (S O4)1.5 (H2 O)9","","- Al3 Ca6 O30 S1.5 -","- Al3 Ca6 O30 S1.5 -","- Al3 Ca6 O30 S1.5 -","1","0.0555556","","Allmann, R.","Die Doppelschichtstruktur der plaettchenfoermigen Calcium-Aluminium-H Salze am Beispiel des (Ca O)3 Al2 O3 Ca S O4 (H2 O)12","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1968","1968","","140","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","160645","2020-10-21","18:00:00",""
"1534179","5.56","","5.56","","16.01999","","90","","90","","120","","428.887","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Na (Bi O3)","","- Bi Na O3 -","- Bi Na O3 -","- Bi6 Na6 O18 -","6","0.333333","","Aurivillius, B.","X-ray studies on 'sodium metabismuthate'","Acta Chemica Scandinavica (1-27,1973-42,1988)","1955","9","","1219","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534384","5.88","","5.88","","16.98","","90","","90","","120","","508.42","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ni Ti3 S6","","- Ni S6 Ti3 -","- Ni S6 Ti3 -","- Ni3 S18 Ti9 -","3","0.166667","","Danot, M.; Bichon, J.; Rouxel, J.","Le systeme nickel-disulfure de titane","Bulletin de la Societe Chimique de France (Vol=Year)","1972","1972","","3063","3066","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534594","20.974","","20.974","","12.134","","90","","90","","120","","4622.71","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Yb4 (P4 O12)3","","- O36 P12 Yb4 -","- O36 P12 Yb4 -","- O216 P72 Yb24 -","6","0.333333","","Anisimova, N.Yu.; Trunov, V.K.; Karmanovskaya, N.B.; Chudinova, N.N.","Synthesis and crystal structure of new modification of Yb (P O3)3","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","441","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","161449","2020-10-21","18:00:00",""
"1534615","18.9241","","18.9241","","10.3725","","90","","90","","120","","3216.95","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Pr9 Se6 (Si3 N9)","","- N9 Pr9 Se6 Si3 -","- N9 Pr9 Se6 Si3 -","- N54 Pr54 Se36 Si18 -","6","0.333333","","Lissner, F.; Schleid, T.","Pr3 Se2 Si N3: Das erste Nitrido-cyclo-Trisilicat mit diskreten (Si3 N9)(15-)-Anionen gemaess Pr9 Se6 (Si3 N9)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2226","2230","","","","","","","","","","","","","","","","","","","","","","has coordinates","161483","2020-10-21","18:00:00",""
"1534643","21.69","","21.69","","9.67","","90","","90","","120","","3939.82","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ca7 (Ca Yb5) Ca18 F67","","- Ca26 F67 Yb5 -","- Ca25.9996 F67 Yb5.0004 -","- Ca77.9988 F201 Yb15.0012 -","3","0.166667","","Golubev, A.M.","The fifth rhombohedral modification of fluoride-like structures built from M8R6F69 clusters","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","939","943","","","","","","","","","","","","","","","","","","","","","","has coordinates","161544","2020-10-21","18:00:00",""
"1534770","10.986","","10.986","","10.846","","90","","90","","120","","1133.65","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Co (N H3)6) (Fe (C N)6)","","- C6 H18 Co Fe N12 -","- C6 H18 Co Fe N12 -","- C18 H54 Co3 Fe3 N36 -","3","0.166667","","Seitz, K.; Peschel, S.; Babel, D.","Ueber die Kristallstrukturen der Cyanokomplexe (Co (N H3)6) (Fe (C N)6), (Co (N H3)6)2 (Ni (C N)4)3 . 2(H2 O) und (Cu (en)2) (Ni (C N)4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","929","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534791","17.72","","17.72","","7.107","","90","","90","","120","","1932.61","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr6 Bi2 (Al O2)12 O3","","- Al12 Bi2 O27 Sr6 -","- Al12 Bi2 O27 Sr6 -","- Al36 Bi6 O81 Sr18 -","3","0.166667","","Bakakin, V.V.; Shaburova, V.P.; Mazus, M.D.; Kozeeva, L.P.; Podberezskaya, N.V.; Malinovskii, T.I.","The structure of frame strontium aluminate Sr6(Al12O24)* Bi2O3 with inclusion of Bi2O3 molecule","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1994","35","","92","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","161784","2020-10-21","18:00:00",""
"1534809","11.4048","","11.4048","","11.4062","","90","","90","","120","","1284.83","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Rb2 (Mo (I O3)6)","","- I6 Mo O18 Rb2 -","- I6 Mo O18 Rb2 -","- I18 Mo3 O54 Rb6 -","3","0.166667","","Shehee, T.C.; Pehler, S.F.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structures of the homoleptic iodate complexes [M (I O)6](2-) (M = Mo, Zr)","Journal of Alloys Compd.","2005","388","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534812","11.7684","","11.7684","","11.7201","","90","","90","","120","","1405.71","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Cs2 (Zr (I O3)6)","","- Cs2 I6 O18 Zr -","- Cs2 I6 O18 Zr -","- Cs6 I18 O54 Zr3 -","3","0.166667","","Shehee, T.C.; Pehler, S.F.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structures of the homoleptic iodate complexes [M (I O)6](2-) (M = Mo, Zr)","Journal of Alloys Compd.","2005","388","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534815","11.5575","","11.5575","","11.4987","","90","","90","","120","","1330.17","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Rb2 (Zr (I O3)6)","","- I6 O18 Rb2 Zr -","- I6 O18 Rb2 Zr -","- I18 O54 Rb6 Zr3 -","3","0.166667","","Shehee, T.C.; Pehler, S.F.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structures of the homoleptic iodate complexes [M (I O)6](2-) (M= Mo, Zr)","Journal of Alloys Compd.","2005","388","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534927","11.075","","11.075","","20.372","","90","","90","","120","","2163.97","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 Y3 F17","","- Ba4 F17 Y3 -","- Ba4 F16.9998 Y3 -","- Ba24 F101.999 Y18 -","6","0.333333","","Maksimov, B.A.; Golubev, A.M.; Solans, H.; Dudka, A.P.; Badria-Font, M.; Genkina, E.A.; Buchinskaya, I.I.; Loshmanov, A.A.; Simonov, V.I.; Font-Altaba, M.","The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure. Ordering of cations and specific features of the anionic motif.","Kristallografiya","1996","41","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","162003","2020-10-21","18:00:00",""
"1534931","11","","11","","20.262","","90","","90","","120","","2123.24","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 Yb3 F17","","- Ba4 F17 Yb3 -","- Ba4 F16.9998 Yb3 -","- Ba24 F101.999 Yb18 -","6","0.333333","","Maksimov, B.A.; Buchinskaya, I.I.; Solans, H.; Dudka, A.P.; Genkina, E.A.; Font-Altaba, M.; Badria-Font, M.; Loshmanov, A.A.; Golubev, A.M.; Simonov, V.I.","The fluorite-matrix-based Ba4 R3 F17 (R= Y, Yb) crystal structure. Ordering of cations and specific features of the anionic motif.","Kristallografiya","1996","41","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","162008","2020-10-21","18:00:00",""
"1535118","16.122","","16.122","","10.768","","90","","90","","120","","2423.84","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","La7.72 I12 Ge","","- Ge I12 La7.72 -","- Ge I12 La7.72 -","- Ge3 I36 La23.16 -","3","0.166667","","Mattausch, H.J.; Simon, A.; Zheng, C.; Ryazanov, M.","Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge","Zeitschrift fuer Anorganische und Allgemeine Chemie","2005","631","","302","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535179","9.738","","9.738","","13.938","","90","","90","","120","","1144.65","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc (I O3)3","","- I3 O9 Sc -","- I3 O9 Sc -","- I18 O54 Sc6 -","6","0.333333","","Hector, A.L.; Webster, M.; Levason, W.; Henderson, S.","Hydrothermal synthesis of scandium, yttrium and lanthanide iodates from the corresponding periodates: X-ray crystal structures of Sc (I O3)3, Y (I O3)3 * 2(H2 O), La (I O3)3 * 1/2(H2 O) and Lu (I O3)3 * 2(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","198","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535197","7.866","","7.866","","8.162","","90","","90","","120","","437.356","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs (Nb F6)","","- Cs F6 Nb -","- Cs F6 Nb -","- Cs3 F18 Nb3 -","3","0.166667","","Berg, R.W.; von Barner, J.H.; Christensen, E.; Nielsen, K.","Crystal Stucture and IR and Raman Spectra of alpha-CsNbF6","Progress in Molten Salt Chemistry 1, ISBN: 2-84299-249-0, Elsevier","2000","2000","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535422","5.859","","5.859","","19.086","","90","","90","","120","","567.404","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li6 Sr2 (Mn2 N6)","","- Li6 Mn2 N6 Sr2 -","- Li6 Mn2 N6 Sr2 -","- Li18 Mn6 N18 Sr6 -","3","0.166667","","Hochrein, O.; Hoehn, P.; Kniep, R.","Control of oxidation states of transition elements (Cr, Mn) in nitridometallates and the solid solution series Li6 (Ca1-x Srx)2 (Mn2 N6)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","923","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","162797","2020-10-21","18:00:00",""
"1535457","10.5","","10.5","","12.837","","90","","90","","120","","1225.67","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Co (N O3)2","","- Co N2 O6 -","- Co N2 O6 -","- Co12 N24 O72 -","12","0.666667","","Tikhomirov, G.A.; Znamenkov, K.O.; Morozov, I.V.; Kemnitz, E.; Troyanov, S.I.","Anhydrous nitrates and nitrosonium nitratometallates of manganese and cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis and crystal structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535571","4.9254","","4.9254","","12.4477","","90","","90","","120","","261.519","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Al F3 -","- Al F3 -","- Al6 F18 -","6","0.333333","","Hoppe, R.; Kissel, D.","Zur Kenntnis von Al F3 und In F3","Journal of Fluorine Chemistry","1984","24","","327","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535626","21.513","","21.513","","17.318","","90","","90","","120","","6941.13","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(S Cl3) (Ti2 Cl9)","","- Cl12 S Ti2 -","- Cl12 S Ti2 -","- Cl216 S18 Ti36 -","18","1","","Troyanov, S.I.; Timoshchenko, N.I.; Rybakov, V.B.; Fokina, Z.A.","Synthesis and crystal structure of nonachlorodititanate(IV) trichlorosulfonium (SCl3) (Ti2Cl9)","Zhurnal Neorganicheskoi Khimii","1990","35","","1683","1685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535636","6.478","","6.478","","18.632","","90","","90","","120","","677.13","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Ti Br3","","- Br3 Ti -","- Br3 Ti -","- Br18 Ti6 -","6","0.333333","","Troyanov, S.I.; Ionov, V.M.; Rybakov, V.B.","Synthesis and crystal structures of TiBr4,TiBr3 and Ti(AlBr4)2","Zhurnal Neorganicheskoi Khimii","1990","35","","882","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535644","6.153","","6.153","","17.599","","90","","90","","120","","577.022","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Ti Cl3","","- Cl3 Ti -","- Cl3 Ti -","- Cl18 Ti6 -","6","0.333333","","Troyanov, S.I.; Snigireva, E.M.; Rybakov, V.B.","X-ray diffraction study of phase transition in alfa-TiCl3","Zhurnal Neorganicheskoi Khimii","1991","36","","1117","1122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535680","8.77451","","8.77451","","10.1333","","90","","90","","120","","675.659","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc3 (Sc0.295 Al0.705) O6","","- Al0.705 O6 Sc3.295 -","- Al0.705 O6 Sc3.295 -","- Al4.23 O36 Sc19.77 -","6","0.333333","","Mueller, D.; Assenmacher, W.; Mader, W.","Darstellung und Struktur von Sc3 (Sc0.31 Al0.69) O6 - einem neuen Abkoemmling des Mg3 Te O6-Strukturtyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2483","2489","","","","","","","","","","","","","","","","","","","","","","has coordinates","163122","2020-10-21","18:00:00",""
"1535681","6.056","","6.056","","17.407","","90","","90","","120","","552.874","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Fe Cl3","","- Cl3 Fe -","- Cl3 Fe -","- Cl18 Fe6 -","6","0.333333","","Troyanov, S.I.","Crystal structure of FeCl3 polytyped modifications","Zhurnal Neorganicheskoi Khimii","1993","38","","1946","1949","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535785","6.621","","6.621","","12.975","","90","","90","","120","","492.59","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K2 (Pb (O H)6)","","- H6 K2 O6 Pb -","- H6 K2 O6 Pb -","- H18 K6 O18 Pb3 -","3","0.166667","","Il'inets, A.M.; Kostrikin, A.V.; Zaitsev, B.E.; Ivanov-Emin, B.N.; Baturin, N.A.; Dolganev, V.P.; Regel', L.L.","Synthesis and crystal structure of potassium hexahydrooxoplumbate","Kristallografiya","1990","35","","491","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1535805","11.059","","11.059","","20.346","","90","","90","","120","","2154.97","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba4 Er3 F17 -","- Ba4 Er3 F17.0001 -","- Ba24 Er18 F102.001 -","6","0.333333","","Tyagi, A.K.; Koehler, J.","Preparation and structural elucidation of the new anion-excess fluorite variant Ba4 Er3 F17","Solid State Sciences","2001","3","","689","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535994","21.05","","21.05","","9.258","","90","","90","","120","","3552.65","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba Cu5.65 S4.5 -","- Ba Cu5.6517 S4.5 -","- Ba18 Cu101.731 S81 -","18","1","","Chang, J.S.; Wang, Y.; Hong, H.Y.-P.; Lee, G.H.","Crystal structure and electric conductiviy of Ba Cu5.65 S4.5","Materials Research Bulletin","1990","25","","863","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536074","13.9244","","13.9244","","14.866","","90","","90","","120","","2496.19","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","V8 Ga38.9 Zn2.1","","- Ga38.9 V8 Zn2.1 -","- Ga38.9 V8 Zn2.1 -","- Ga116.7 V24 Zn6.3 -","3","0.166667","","Viklund, P.; Haeussermann, U.; Hull, S.; Svensson, C.; Berastegui, P.; Simak, S.I.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","163659","2020-10-21","18:00:00",""
"1536078","13.9351","","13.9351","","14.8828","","90","","90","","120","","2502.85","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 V8 -","- Ga41 V8 -","- Ga123 V24 -","3","0.166667","","Viklund, P.; Svensson, C.; Haeussermann, U.; Simak, S.I.; Hull, S.; Berastegui, P.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536081","13.7153","","13.7153","","14.6872","","90","","90","","120","","2392.66","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cr8 Ga29.8 Zn11.2 -","- Cr8 Ga29.69 Zn11.31 -","- Cr24 Ga89.07 Zn33.93 -","3","0.166667","","Viklund, P.; Simak, S.I.; Svensson, C.; Hull, S.; Berastegui, P.; Haeussermann, U.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536135","7.63","","7.63","","22.42","","90","","90","","120","","1130.36","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K4 (Ni (N O2)6)","","- K4 N6 Ni O12 -","- K4 N6 Ni O12 -","- K12 N18 Ni3 O36 -","3","0.166667","","Ferrari, A.; Cavalca, L.; Nardelli, M.","La struttura del nichelesanitrito potassico","Gazzetta Chimica Italiana","1951","81","","945","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536197","6.404","","6.404","","20.194","","90","","90","","120","","717.225","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mg2 (P2 Se6)","","- Mg2 P2 Se6 -","- Mg2 P2 Se6 -","- Mg6 P6 Se18 -","3","0.166667","","Joergens, S.; Mewis, A.","Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums und Zinks","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","163826","2020-10-21","18:00:00",""
"1536201","6.29","","6.29","","19.93","","90","","90","","120","","682.872","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zn2 (P2 Se6)","","- P2 Se6 Zn2 -","- P2 Se6 Zn1.999 -","- P6 Se18 Zn5.997 -","3","0.166667","","Joergens, S.; Mewis, A.","Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums und Zinks","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","163831","2020-10-21","18:00:00",""
"1536241","14.1642","","14.1642","","17.0447","","90","","90","","120","","2961.45","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K6 (Be4 O (C O3)6)","","- C6 Be4 K6 O19 -","- C6 Be4 K6 O19 -","- C36 Be24 K36 O114 -","6","0.333333","","Dahm, M.; Adam, A.","Darstellung und Kristallstrukturen der ersten Alkalimetall-hexacarbonato-oxotetraberyllate: K6 (Be4 O (C O3)6) * 7(H2 O) und K6 (Be4 O (C O3)6)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1861","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","163879","2020-10-21","18:00:00",""
"1536267","17.066","","17.066","","20.883","","90","","90","","120","","5267.29","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs (Ti2 I7)","","- Cs I7 Ti2 -","- Cs I7 Ti2 -","- Cs12 I84 Ti24 -","12","0.666667","","Jongen, L.; Meyer, G.","Cesium heptaiodo-dititanate(III), Cs Ti2 I7","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","211","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536269","11.86","","11.86","","9.58","","90","","90","","120","","1166.99","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ge2 (H2 P O2)6","","- Ge2 H12 O12 P6 -","- Ge2 O12 P6 -","- Ge6 O36 P18 -","3","0.166667","","Weakley, T.J.R.","The Crystal Structure of Germanium(II,IV) Phosphinate","Journal of the Chemical Society of Pakistan","1983","5","","279","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536273","9.2256","","9.2256","","11.3418","","90","","90","","120","","835.991","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Fe0.4 Mo6 Sn S8","","- Fe0.4 Mo6 S8 Sn -","- Fe0.402 Mo6 S8 Sn -","- Fe1.206 Mo18 S24 Sn3 -","3","0.166667","","Jorgensen, J.D.; Hinks, D.G.; Rotella, F.J.","Ternary superconductors","Structure Reports","1981","48","","66","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536283","22.03814","","22.03814","","7.02613","","90","","90","","120","","2955.27","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","H5 Al3 (B6 O12) O1.847 (O H)4","","- Al3 B6 H9 O17.847 -","- Al3 B6 O17.8472 -","- Al27 B54 O160.624 -","9","0.5","","Ju Jing; Lin Jianhua; Li Guobao; Yang Tao; Loong Chun-K; Liao Fuhui; Li Hongmei; You Liping","Aluminoborate-based molecular sieves with 18-octahedral-atom tunnels","Angew. Chem. Int. ed.","2003","42","","5607","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536518","11.8974","","11.8974","","27.965","","90","","90","","120","","3428.07","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(N H4)4 (Pt12 O8 (S O4)12)","","- H16 N4 O56 Pt12 S12 -","- H16 N4 O56 Pt12 S12 -","- H48 N12 O168 Pt36 S36 -","3","0.166667","","Wickleder, M.; Pley, M.","The Cluster Ion [Pt12 O8 (S O4)12]4-","Angewandte Chemie (Edition international)","2004","43","","4168","4170","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536602","5.24","","5.24","","14.78","","90","","90","","120","","351.453","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ca Pt F6","","- Ca F6 Pt -","- Ca F6 Pt -","- Ca3 F18 Pt3 -","3","0.166667","","Wilhelm, V.; Hoppe, R.","Zur Kenntnis neuer Hexafluoroplatinate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","130","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536605","4.98","","4.98","","13.82","","90","","90","","120","","296.823","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zn Pt F6","","- F6 Pt Zn -","- F6 Pt Zn -","- F18 Pt3 Zn3 -","3","0.166667","","Wilhelm, V.; Hoppe, R.","Zur Kenntnis neuer Hexafluoroplatinate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","130","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536607","5.118","","5.118","","14.623","","90","","90","","120","","331.717","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cd (Pt F6)","","- Cd F6 Pt -","- Cd F6 Pt -","- Cd3 F18 Pt3 -","3","0.166667","","Wilhelm, V.; Hoppe, R.","Zur Kenntnis neuer Hexafluoroplatinate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","130","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536610","5.09","","5.09","","14.23","","90","","90","","120","","319.28","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mn Pt F6","","- F6 Mn Pt -","- F6 Mn Pt -","- F18 Mn3 Pt3 -","3","0.166667","","Wilhelm, V.; Hoppe, R.","Zur Kenntnis neuer Hexafluoroplatinate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","130","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536613","5","","5","","13.81","","90","","90","","120","","298.995","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Co Pt F6","","- Co F6 Pt -","- Co F6 Pt -","- Co3 F18 Pt3 -","3","0.166667","","Wilhelm, V.; Hoppe, R.","Zur Kenntnis neuer Hexafluoroplatinate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","130","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536617","4.93","","4.93","","13.68","","90","","90","","120","","287.946","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ni Pt F6","","- F6 Ni Pt -","- F6 Ni Pt -","- F18 Ni3 Pt3 -","3","0.166667","","Wilhelm, V.; Hoppe, R.","Zur Kenntnis neuer Hexafluoroplatinate(IV)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","130","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536623","7.9199","","7.9199","","6.9644","","90","","90","","120","","378.315","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li6 (Te O6)","","- Li6 O6 Te -","- Li6 O6 Te -","- Li18 O18 Te3 -","3","0.166667","","Wisser, T.; Hoppe, R.","Neues ueber Oxotellurate(VI) der Alkalimetalle. Zur Existenz und Konstitution von Li6 Te O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","573","","133","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536670","6.094","","6.094","","21.698","","90","","90","","120","","697.839","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(N H4) H3 (Cu2 Mo2 O10)","","- Cu2 H7 Mo2 N O10 -","- Cu2.001 Mo2 N O10 -","- Cu6.003 Mo6 N3 O30 -","3","0.166667","","Wu Chuande; Lu Canzhong; Lin Xiang; Lu Shaofang; Zhuang Honghui; Huang Jinshun","Synthesis, structural characterization and properties of two new lamellar polymers: (N H4 H3 Cu2 Mo2 O10) and (K H Fe2 Mo2 O10)","Journal of Alloys Compd.","2004","368","","342","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536702","6.384","","6.384","","17.78","","90","","90","","120","","627.55","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Sc Cl3","","- Cl3 Sc -","- Cl3 Sc -","- Cl18 Sc6 -","6","0.333333","","Klemm, W.; Krose, E.","Die Kristallstrukturen von Sc Cl3, Ti Cl3 und V Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1947","253","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536704","6.121","","6.121","","17.5","","90","","90","","120","","567.824","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Ti Cl3","","- Cl3 Ti -","- Cl3 Ti -","- Cl18 Ti6 -","6","0.333333","","Klemm, W.; Krose, E.","Die Kristallstrukturen von Sc Cl3, Ti Cl3 und V Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1947","253","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536705","19.817","","19.817","","18.0559","","90","","90","","120","","6140.81","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr50 Sc12 O118","","- O118 Sc12 Zr50 -","- O118 Sc12.028 Zr49.972 -","- O354 Sc36.084 Zr149.916 -","3","0.166667","","Wurst, K.; Schweda, E.; Bevan, D.J.M.; Mohyla, J.; Hofmann, M.; Wallwork, K.S.","Single-crystal structure determination of Zr50 Sc12 O118","Solid State Sciences","2003","5","","1491","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","164530","2020-10-21","18:00:00",""
"1536707","6.012","","6.012","","17.34","","90","","90","","120","","542.772","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","V Cl3","","- Cl3 V -","- Cl3 V -","- Cl18 V6 -","6","0.333333","","Klemm, W.; Krose, E.","Die Kristallstrukturen von Sc Cl3, Ti Cl3 und V Cl3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1947","253","","218","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536852","4.8","","4.8","","23.273","","90","","90","","120","","464.371","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba Ni2 (P O4)2","","- Ba Ni2 O8 P2 -","- Ba Ni2 O8 P2 -","- Ba3 Ni6 O24 P6 -","3","0.166667","","Faza, N.; Treutmann, W.; Babel, D.","Struktur- und magnetochemische Untersuchungen an den ternaeren Phosphaten Ba2 M(II) (P O4)2 (M(II) = Mn, Co) und Strukturverfeinerung von Ba Ni2 (P O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","687","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536942","8.3859","","8.3859","","12.0355","","90","","90","","120","","732.983","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Xe (O Se F5)2","","- F10 O2 Se2 Xe -","- F9.99 O1.998 Se2 Xe -","- F29.97 O5.994 Se6 Xe3 -","3","0.166667","","Fir, B.A.; Mercier, H.P.A.; Schrobilgen, G.J.D.; Sanders, J.C.P.; Dixon, D.A.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536980","9.732","","9.732","","9.109","","90","","90","","120","","747.146","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ho4 Zr3 O12","","- Ho4 O12 Zr3 -","- Ho4.0002 O12 Zr2.9998 -","- Ho12.0006 O36 Zr8.9994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Synthesis and features of Ho4 Zr3 O12","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki","1990","1990","","78","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","164903","2020-10-21","18:00:00",""
"1536984","9.396","","9.396","","8.706","","90","","90","","120","","665.634","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc4 Zr3 O12","","- O12 Sc4 Zr3 -","- O12 Sc4.003 Zr2.997 -","- O36 Sc12.009 Zr8.991 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164907","2020-10-21","18:00:00",""
"1536988","9.636","","9.636","","8.99","","90","","90","","120","","722.909","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lu4 Zr3 O12","","- Lu4 O12 Zr3 -","- Lu4.002 O12 Zr2.998 -","- Lu12.006 O36 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164911","2020-10-21","18:00:00",""
"1536991","9.654","","9.654","","9.021","","90","","90","","120","","728.115","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Yb4 Zr3 O12","","- O12 Yb4 Zr3 -","- O12 Yb4.002 Zr2.998 -","- O36 Yb12.006 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164915","2020-10-21","18:00:00",""
"1536994","9.677","","9.677","","9.042","","90","","90","","120","","733.291","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Tm4 Zr3 O12","","- O12 Tm4 Zr3 -","- O12 Tm4.002 Zr2.998 -","- O36 Tm12.006 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164919","2020-10-21","18:00:00",""
"1536997","9.698","","9.698","","9.054","","90","","90","","120","","737.455","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Er4 Zr3 O12","","- Er4 O12 Zr3 -","- Er4.002 O12 Zr2.998 -","- Er12.006 O36 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164923","2020-10-21","18:00:00",""
"1537000","9.738","","9.738","","9.115","","90","","90","","120","","748.56","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y4 Zr3 O12","","- O12 Y4 Zr3 -","- O12 Y4.002 Zr2.998 -","- O36 Y12.006 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164928","2020-10-21","18:00:00",""
"1537002","9.3694","","9.3694","","8.692","","90","","90","","120","","660.806","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc4 Hf3 O12","","- Hf3 O12 Sc4 -","- Hf3 O12 Sc4 -","- Hf9 O36 Sc12 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164932","2020-10-21","18:00:00",""
"1537004","9.60825","","9.60825","","8.981","","90","","90","","120","","718.032","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lu4 Hf3 O12","","- Hf3 Lu4 O12 -","- Hf2.998 Lu4.002 O12 -","- Hf8.994 Lu12.006 O36 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164936","2020-10-21","18:00:00",""
"1537027","13.9669","","13.9669","","42.0075","","90","","90","","120","","7096.72","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Ni (H2 O)6) (H3 P Mo12 O40)2 (H2 O)30","","- H78 Mo24 Ni O116 P2 -","- Mo24 Ni O116 P2 -","- Mo72 Ni3 O348 P6 -","3","0.166667","","Zhang, Q.-Z.; Lu, C.-Z.; Yang, W.-B.; Wu, C.-D.; Yu, Y.-Q.; Liu, J.-H.; He, X.; Yan, Y.","Synthesis and structure of two Keggin-type heteropolyanions: [V Mo12 O40]n(3n-) (1) and [H3 P Mo(V)Mo(VI)11 O40]1- (2)","Journal of Cluster Science","2003","14","","381","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537114","9.645","","9.645","","9.421","","90","","90","","120","","758.983","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Tl6 Te O12","","- O12 Te Tl6 -","- O12 Te Tl6 -","- O36 Te3 Tl18 -","3","0.166667","","Frit, B.; Roult, G.; Galy, J.","Cristallochimie de Tl(III)6 Te(VI) O12 et Tl(I)6 Te(VI) O6 E6: un exemple original de l'activite stereochimique de la paire electronique 6s2(E) du thallium(I)","Journal of Solid State Chemistry","1983","48","","246","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537116","9.5722","","9.5722","","9.3494","","90","","90","","120","","741.887","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Tl6 Te O6","","- O6 Te Tl6 -","- O6 Te Tl6 -","- O18 Te3 Tl18 -","3","0.166667","","Frit, B.; Roult, G.; Galy, J.","Cristallochimie de Tl(III)6 Te(VI) O12 et Tl(I)6 Te(VI) O6 E6: un exemple original de l'activite stereochimique de la paire electronique 6s2(E) du thallium(I)","Journal of Solid State Chemistry","1983","48","","246","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537130","6.3294","","6.3294","","26.396","","90","","90","","120","","915.786","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ca2 Hf7 O16 -","- Ca2 Hf7 O16 -","- Ca6 Hf21 O48 -","3","0.166667","","Rossell, H.J.; Scott, H.G.","The structure of the fluorite-related phase Ca2 Hf7 O16","Journal of Solid State Chemistry","1975","13","","345","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537266","21.213","","21.213","","8.6","","90","","90","","120","","3351.45","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pt Cl3","","- Cl3 Pt -","- Cl3 Pt -","- Cl108 Pt36 -","36","2","","von Schnering, H.G.; Thiele, G.; Freiberg, M.; Chang Jenhui; Peters, E.M.; Ormeci, A.; Peters, K.; Roehr, C.; Schroeder, L.","Structure and bonding of the mixed-valent platinum trihalides, Pt Cl3 and Pt Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537270","22.318","","22.318","","9.034","","90","","90","","120","","3896.92","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pt Br3","","- Br3 Pt -","- Br3 Pt -","- Br108 Pt36 -","36","2","","von Schnering, H.G.; Peters, K.; Freiberg, M.; Chang Jenhui; Ormeci, A.; Roehr, C.; Peters, E.M.; Thiele, G.; Schroeder, L.","Structure and bonding of the mixed-valent platinum trihalides, Pt Cl3 and Pt Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537338","8.6468","","8.6468","","23.9436","","90","","90","","120","","1550.35","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba0.5 Zr2 (P O4)3","","- Ba0.5 O12 P3 Zr2 -","- Ba0.5 O12 P3 Zr2 -","- Ba3 O72 P18 Zr12 -","6","0.333333","","Gobechiya, E.R.; Kabalov, Yu.K.; Pet'kov, V.I.; Sukhanov, M.V.","Crystal structures of double cesium zirconium and barium zirconium orthophosphates","Kristallografiya","2004","49","","829","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","165429","2020-10-21","18:00:00",""
"1537398","4.98","","4.98","","13.48","","90","","90","","120","","289.52","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mg (Pd F6)","","- F6 Mg Pd -","- F6 Mg Pd -","- F18 Mg3 Pd3 -","3","0.166667","","Henkel, H.; Hoppe, R.","Neue ternaere Fluoride des Palladiums und Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537399","5.19","","5.19","","14.59","","90","","90","","120","","340.346","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ca (Pd F6)","","- Ca F6 Pd -","- Ca F6 Pd -","- Ca3 F18 Pd3 -","3","0.166667","","Henkel, H.; Hoppe, R.","Neue ternaere Fluoride des Palladiums und Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537400","4.95","","4.95","","13.69","","90","","90","","120","","290.499","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zn (Pd F6)","","- F6 Pd Zn -","- F6 Pd Zn -","- F18 Pd3 Zn3 -","3","0.166667","","Henkel, H.; Hoppe, R.","Neue ternaere Fluoride des Palladiums und Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537401","5.08","","5.08","","14.39","","90","","90","","120","","321.602","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cd (Pd F6)","","- Cd F6 Pd -","- Cd F6 Pd -","- Cd3 F18 Pd3 -","3","0.166667","","Henkel, H.; Hoppe, R.","Neue ternaere Fluoride des Palladiums und Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537431","5.41","","5.41","","14.136","","90","","90","","120","","358.304","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mn Sn F6","","- F6 Mn Sn -","- F6 Mn Sn -","- F18 Mn3 Sn3 -","3","0.166667","","Hoppe, R.; Mueller, B.; Wilhelm, V.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537432","5.27","","5.27","","14.063","","90","","90","","120","","338.244","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Fe Sn F6","","- F6 Fe Sn -","- F6 Fe Sn -","- F18 Fe3 Sn3 -","3","0.166667","","Hoppe, R.; Wilhelm, V.; Mueller, B.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537433","5.216","","5.216","","13.801","","90","","90","","120","","325.174","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zn Sn F6","","- F6 Sn Zn -","- F6 Sn Zn -","- F18 Sn3 Zn3 -","3","0.166667","","Hoppe, R.; Wilhelm, V.; Mueller, B.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537435","5.211","","5.211","","13.933","","90","","90","","120","","327.655","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Co Sn F6","","- Co F6 Sn -","- Co F6 Sn -","- Co3 F18 Sn3 -","3","0.166667","","Hoppe, R.; Wilhelm, V.; Mueller, B.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537436","5.152","","5.152","","13.763","","90","","90","","120","","316.37","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ni Sn F6","","- F6 Ni Sn -","- F6 Ni Sn -","- F18 Ni3 Sn3 -","3","0.166667","","Hoppe, R.; Wilhelm, V.; Mueller, B.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537437","5.13","","5.13","","13.82","","90","","90","","120","","314.973","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cu Sn F6","","- Cu F6 Sn -","- Cu F6 Sn -","- Cu3 F18 Sn3 -","3","0.166667","","Hoppe, R.; Wilhelm, V.; Mueller, B.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537438","5.37","","5.37","","14.47","","90","","90","","120","","361.366","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cd Sn F6","","- Cd F6 Sn -","- Cd F6 Sn -","- Cd3 F18 Sn3 -","3","0.166667","","Hoppe, R.; Wilhelm, V.; Mueller, B.","Zur Kenntnis der Verbindungen M Sn F6 mit M = Mn, Fe, Zn, Hg, Pb bzw. Co, Ni, Cu, Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","392","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537510","6.088","","6.088","","16.68","","90","","90","","120","","535.397","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","W Cl6","","- Cl6 W -","- Cl6 W -","- Cl18 W3 -","3","0.166667","","Ketelaar, J.A.A.; van Oosterhout, G.W.","Die Krystallstruktur des Wolframhexachlorids","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1943","62","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537572","9.131","","9.131","","15.357","","90","","90","","120","","1108.85","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(H Si O1.5)8","","- H8 O12 Si8 -","- H8 O12 Si8 -","- H24 O36 Si24 -","3","0.166667","","Larsson, K.","The crystal structure of octa-(silsesquioxane) (H Si O1.5) 8","Arkiv foer Kemi","1960","16","","215","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","165812","2020-10-21","18:00:00",""
"1537987","9.198","","9.198","","11.442","","90","","90","","120","","838.338","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo6 Pb S8 -","- Mo6 Pb S8 -","- Mo18 Pb3 S24 -","3","0.166667","","Fedorov, V.E.; Mishchenko, A.V.; Kirik, S.D.; Logvinenko, Z.M.","Stoichiometry of ternary molybdenum sulfide Pb Mo6 S8","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1982","18","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538793","7.844","","7.844","","70.65","","90","","90","","120","","3764.59","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na3 Al2 Nb34 O64","","- Al2 Na3 Nb34 O64 -","- Al2 Na3 Nb34 O64 -","- Al6 Na9 Nb102 O192 -","3","0.166667","","Koehler, J.; Simon, A.","Na3 Al2 Nb34 O64 und Na (Si, Nb) Nb10 O19: Clusterverbindungen mit isolierten Nb6 - Oktaedern","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","106","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","167480","2020-10-21","18:00:00",""
"1538796","7.841","","7.841","","42.218","","90","","90","","120","","2247.87","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na.17 Si.22 Nb9.44 O18.33","","- Na0.17 Nb9.44 O18.33 Si0.22 -","- Na0.167 Nb9.442 O18.334 Si0.225 -","- Na1.002 Nb56.652 O110.004 Si1.35 -","6","0.333333","","Koehler, J.; Simon, A.","Na3 Al2 Nb34 O64 und Na (Si, Nb) Nb10 O19: Clusterverbindungen mit isolierten Nb6 - Oktaedern","Zeitschrift fuer Anorganische und Allgemeine Chemie","1987","553","","106","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","167483","2020-10-21","18:00:00",""
"1538920","5.038","","5.038","","14.316","","90","","90","","120","","314.68","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Pd Pt F6","","- F6 Pd Pt -","- F6 Pd Pt -","- F18 Pd3 Pt3 -","3","0.166667","","Mueller, B.G.","Zur Kenntnis komplexer Fluoride mit Cu2+ und Pd2+: M Pt F6 (M=Pd, Cu) und Rb Cu Pd F5.","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","556","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538985","9.0674","","9.0674","","11.2933","","90","","90","","120","","804.113","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ho Mo6 S8 -","- Ho Mo6 S8 -","- Ho3 Mo18 S24 -","3","0.166667","","Pena, O.; Horyn, R.; Potel, M.; Sergent, M.; Padiou, J.","Crystal structure and normal state physical properties of Hox Mo6 S8 (0.88<= x<= 1.0) single crystals","Journal of the Less-Common Metals","1985","105","","105","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539033","9.2","","9.2","","10.88","","90","","90","","120","","797.508","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Mo3 S4 -","- Mo3 S4 -","- Mo18 S24 -","6","0.333333","","Potel, M.; Gougeon, P.; Chevrel, R.; Sergent, M.","Labilite des cations dans les chalcogenures ternaires de molybdene: voies d'acces a de nouvelles syntheses","Revue de Chimie Minerale","1984","21","","509","536","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539630","9.545","","9.545","","11.21","","90","","90","","120","","884.48","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Mo3 Se4 -","- Mo3 Se4 -","- Mo18 Se24 -","6","0.333333","","Bars, O.; Guillevic, J.; Grandjean, D.","Etude structurale de combinaisons sulfurees et seleniees du molybdene: I. Structure cristalline de Mo3 Se4","Journal of Solid State Chemistry","1973","6","","48","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539801","5.907","","5.907","","22.549","","90","","90","","120","","681.384","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(N H4)3 H (S O4)2","","- H13 N3 O8 S2 -","- H13 N3 O7.9998 S2 -","- H39 N9 O23.9994 S6 -","3","0.166667","","Fukami, T.; Horiuchi, K.; Nakasone, K.; Furukawa, K.","Crystal structure of (N H4)3 H (S O4)2 in phase I","Japanese Journal of Applied Physics, Part 1","1996","35","","2253","2254","","","","","","","","","","","","","","","","","","","","","","has coordinates","168844","2020-10-21","18:00:00",""
"1539845","15.106","","15.106","","9.254","","90","","90","","120","","1828.77","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K7 Nb (S O4)6","","- K7 Nb O24 S6 -","- K7 Nb O24 S6 -","- K21 Nb3 O72 S18 -","3","0.166667","","Borup, F.; Nielson, K.; Berg, R.W.","The crystal structure of K7 Nb (S O4)6 and K7 Ta (S O4) 6","Acta Chemica Scandinavica (43,1989-)","1990","44","","328","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539847","14.969","","14.969","","9.283","","90","","90","","120","","1801.38","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K7 Ta (S O4)6","","- K7 O24 S6 Ta -","- K7 O24 S6 Ta -","- K21 O72 S18 Ta3 -","3","0.166667","","Borup, F.; Berg, R.W.; Nielson, K.","The crystal structure of K7Nb(SO4)6 and K7Ta(SO4) 6","Acta Chemica Scandinavica (43,1989-)","1990","44","","328","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539865","8.8386","","8.8386","","22.286","","90","","90","","120","","1507.75","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Cd0.5 Zr2 (P O4)3","","- Cd0.5 O12 P3 Zr2 -","- Cd0.5 O12 P3 Zr2 -","- Cd3 O72 P18 Zr12 -","6","0.333333","","Brochu, R.; Serghini, A.; Louer, M.; El-Yacoubi, M.; Alami, M.; Louer, D.","Crystal chemistry and thermal expansion of Cd0.5 Zr2 (P O4) and Cd0.25 Sr0.25 Zr2 (P O4)3 ceramics","Materials Research Bulletin","1997","32","","15","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","168946","2020-10-21","18:00:00",""
"1539867","8.0066","","8.0066","","22.566","","90","","90","","120","","1252.8","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K Ge2 (P O4)3","","- Ge2 K O12 P3 -","- Ge2 K O12 P3 -","- Ge12 K6 O72 P18 -","6","0.333333","","Brochu, R.; Louer, M.; Alami, M.; Alqaraoui, M.; Louer, D.","Structure and thermal expansion of K Ge (P O4)3","Materials Research Bulletin","1997","32","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540385","12.4121","0.0008","12.4121","0.0008","57.067","0.004","90","","90","","120","","7613.9","0.9","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","[NiCr][BF4]","","","- C39 H60 B Cr F4 N4 Ni P3 -","- C39 H60 B Cr F4 N4 Ni P3 -","- C234 H360 B6 Cr6 F24 N24 Ni6 P18 -","6","0.333333","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","0.71073","MoKα","","0.0518","0.0359","","","0.085","0.0898","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540390","37.115","0.008","37.115","0.008","8.929","0.0019","90","","90","","120","","10652","4","103","2","103","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.0951","0.056","","","0.1134","0.1371","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540495","18.861","0.011","18.861","0.011","7.446","0.005","90","","90","","120","","2294","2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","6Me-[6]CMP","","- C44 H39 N -","- C44 H39.0001 N -","- C132 H117 N3 -","3","0.166667","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0725","0.0517","","","0.1287","0.1494","","","","","","1.078","","","","has coordinates,has disorder","175897","2020-10-21","18:00:00",""
"1541291","13.797","","13.797","","14.849","","90","","90","","120","","2447.92","","","","","","","","","","","","","8","R -3 :H","-R 3","148","","Co.16 (Si.16 Al.84 P.84 O4) (H2 O).2 (C3 H7 (N H2)).18","","- C0.54 H2.02 Al0.84 Co0.16 N0.18 O4.2 P0.84 Si0.16 -","- C0.54 Al0.84 Co0.16 N0.18 O4.2 P0.84 Si0.16 -","- C9.72 Al15.12 Co2.88 N3.24 O75.6 P15.12 Si2.88 -","18","1","","Nardin, G.; Kaucic, V.; Randaccio, L.; Rajic, N.","The structure of CoSAPO-34, containing i-propylamine as a template","Zeolites","1991","11","","192","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","172585","2020-10-21","18:00:00",""
"1541864","6.917","","6.917","","18.539","","90","","90","","120","","768.161","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ag Na2 Y Cl6","","- Ag0.928 Cl6 Na2.07 Y -","- Ag0.928 Cl6 Na2.07 Y -","- Ag2.784 Cl18 Na6.21 Y3 -","3","0.166667","","Meyer, G.; Stenzel, F.","Ternary halides of the A3 M X6 Typ II. The system Ag3-x Nax Y Cl6: Synthesis, structure ionic conductivity Conductivity","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","652","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542050","9.358","","9.358","","9.712","","90","","90","","120","","736.555","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Co (H2 O)6) (Si F6)","","- Co F6 H12 O6 Si -","- Co F6 H12 O6 Si -","- Co3 F18 H36 O18 Si3 -","3","0.166667","","Lynton, H.; Siew, P.Y.","Crystal and molecular structure of hexaaquocobalt(II) hexafluorosilicate(IV), (Co (H2 O)6) (Si F6)","Canadian Journal of Chemistry","1973","51","","227","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542063","11.7547","","11.7547","","11.1769","","90","","90","","120","","1337.44","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Yb (N O3)3 (H2 O)3","","- H6 N3 O12 Yb -","- N3 O12 Yb -","- N18 O72 Yb6 -","6","0.333333","","Meyer, G.; Jacobsen, H.","Molecular and Crystal Structure of Ytterbium(III)triaqua-trinitrate, Yb (H2O)3 (NO3)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","615","","16","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542064","6.973","","6.973","","18.684","","90","","90","","120","","786.756","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Na3 Y Cl6","","- Cl6 Na3 Y -","- Cl6 Na3 Y -","- Cl18 Na9 Y3 -","3","0.166667","","Meyer, G.; Stenzel, F.","Ternary halides of the A3 M X6 typ II. The system Ag(3-x) Nax Y Cl6: Synthesis, structure ionic conductivity","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","652","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543733","6.809","0.001","6.809","0.001","20.4439","0.003","90","","90","","120","","820.8","0.2","270","","","","","","","","","","","3","R -3 :H","-R 3","148","","Phyllo-dichromiumhexatellurodigermanate","","- Cr2 Ge2 Te6 -","- Cr2 Ge2 Te6 -","- Cr6 Ge6 Te18 -","3","0.166667","","Carteaux, V.; Brunet, D.; Ouvrard, G.; Andre, G.","Crystallographic, magnetic and electronic structures of a new layered ferromagnetic compound Cr2 Ge2 Te6","Journal of Physics: Condensed Matter","1995","7","","69","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"1544208","15.97714","0.00005","15.97714","0.00005","5.581157","0.000002","90","","90","","120","","1233.82","0.005","","","90","","","","","","","","","2","R -3 :H","-R 3","148","","","Benzene:ethane co-crystal","- C20 H24 -","- C20 H24 -","- C60 H72 -","3","0.166667","","Maynard-Casely, H.E.; Hodyss, R.; Cable, M.L.; Vu, T.H.; Rahm, M.","A co-crystal between benzene and ethane, an potential evaporite material for Saturn's moon Titan","IuCrJ","2016","3","","192","199","10.1107/S2052252516002815","","","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","197618","2020-10-21","18:00:00",""
"1544810","19.724","0.004","19.724","0.004","45.031","0.009","90","","90","","120","","15172","5","84","2","85","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C252 H432 F108 Fe18 N432 O108 S36 -","18","1","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0609","0.0403","","","0.094","0.1087","","","","","","1.082","","","","has coordinates","196371","2020-10-21","18:00:00",""
"1545909","16.4836","0.0019","16.4836","0.0019","26.069","0.003","90","","90","","120","","6134.2","1.2","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C40 H54 Cu N6 Si3 -","- C40 H54 Cu N6 Si3 -","- C240 H324 Cu6 N36 Si18 -","6","0.333333","","Ruccolo, Serge; Rauch, Michael; Parkin, Gerard","Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field","Chem. Sci.","2017","","","","","10.1039/C7SC00499K","","","0.71073","MoKα","","0.0358","0.0325","","","0.0861","0.0903","","","","","","0.96","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1546007","28.764","0.004","28.764","0.004","7.479","0.0011","90","","90","","120","","5358.9","1.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C252 H252 N36 O18 -","18","1","","Purkait, Anisha; Roy, Subhra Kanti; Srivastava, Hemant Kumar; Jana, Chandan K.","Metal-Free Sequential C(sp2)‒H/OH and C(sp3)‒H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00832","","","0.71073","MoKα","","0.2253","0.0585","","","0.0717","0.0929","","","","","","1.084","","","","has coordinates","196601","2020-10-21","18:00:00",""
"1546208","28.8798","0.0002","28.8798","0.0002","25.2097","0.0003","90","","90","","120","","18209","0.3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H70 I2 N36 O16 -","- C66 H70 I2 N36 O16 -","- C594 H630 I18 N324 O144 -","9","0.5","","Jelínková, Kristýna; Surmová, Heda; Matelová, Alena; Rouchal, Michal; Prucková, Zdeňka; Dastychová, Lenka; Nečas, Marek; Vícha, Robert","Cubane Arrives on the Cucurbituril Scene.","Organic letters","2017","19","10","2698","2701","10.1021/acs.orglett.7b01029","","","0.71073","MoKα","","0.0474","0.0359","","","0.0876","0.0935","","","","","","1.026","","","","has coordinates","197353","2020-10-21","18:00:00",""
"1546331","9.0471","0.0013","9.0471","0.0013","15.162","0.004","90","","90","","120","","1074.7","0.4","","","100","","","","","","","","","3","R -3 :H","-R 3","148","","","","- H8 O12 Si8 -","- H8 O12 Si8 -","- H24 O36 Si24 -","3","0.166667","","Auf der Heyde, Thomas P. E.; Burgi, Hans-Beat; Burgy, Heribert; Tornroos, Karl, W.","The crystal and molecular structure of the symmetrical silasesquioxane H8Si8O12 at 100K, a molecular building block of some zeolites","Chimia","1991","45","","38","40","","","x-ray","0.56083","AgKα","","","0.0314","","","0.0302","0.0504","","","","","","","","","","has coordinates","197887","2020-10-21","18:00:00",""
"1546694","26.3932","0.0005","26.3932","0.0005","24.827","0.0005","90","","90","","120","","14977.5","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole","","- C72 H80 N6 O9 -","- C72 H80 N6 O9 -","- C648 H720 N54 O81 -","9","0.5","","Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner","1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole with an unknown solvent","IUCrData","2017","2","3","x170462","","10.1107/S241431461700462X","","","0.71073","MoKα","","0.1707","0.0643","","","0.1765","0.2217","","","","","","0.846","","","","has coordinates,has disorder,has Fobs","199288","2020-10-21","18:00:00",""
"1547892","17.0783","0.0004","17.0783","0.0004","20.3077","0.0011","90","","90","","120","","5129.6","0.3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","Lutecium borate","","","- B24 Lu4 O49 -","- B24 Lu4 O49 -","- B144 Lu24 O294 -","6","0.333333","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0573","0.0364","","","0.0573","0.061","","","","","","1.173","","","","has coordinates","202896","2020-10-21","18:00:00",""
"1548319","36.2479","0.001","36.2479","0.001","17.0202","0.0005","90","","90","","120","","19366.9","0.9","198","","198","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C32.33 H61.67 Cl2 Mo N2 O2.33 P2 -","- C31 H43 Cl2 Mo N2 O3.3334 P2 -","- C558 H774 Cl36 Mo18 N36 O60.0012 P36 -","18","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.079","","","","0.1725","","","","","","1","","","","has coordinates","203782","2020-10-21","18:00:00",""
"1548375","22.4857","0.0003","22.4857","0.0003","11.0509","0.0002","90","","90","","120","","4838.84","0.13","100","2","100","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H18 Cu3 N18 O15 -","- C36 H18 Cu3 N18 O15 -","- C108 H54 Cu9 N54 O45 -","3","0.166667","","Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong","Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework","Nature Communications","2017","8","","1233","","10.1038/s41467-017-01166-3","","","1.54184","CuKα","","0.065","0.0584","","","0.1757","0.1845","","","","","","1.121","","","","has coordinates,has disorder","203938","2020-10-21","18:00:00",""
"1548469","4.7483","0.0005","4.7483","0.0005","13.665","0.001","90","","90","","120","","266.82","0.04","","","296","","","","","","","","","4","R -3 :H","-R 3","148","","","hemleyite","- Fe0.48 Mg0.52 O3 Si -","- Fe0.48 Mg0.52 O3 Si -","- Fe2.88 Mg3.12 O18 Si6 -","6","0.333333","","Luca Bindi; Ming Chen; Xiande Xie","Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite","Scientific Reports","2017","7","","42674","","10.1038/srep42674","","x-ray","0.71073","MoKα","","0.0892","0.0593","","","","","","","","","","","","","","has coordinates","204313","2020-10-21","18:00:00",""
"1549033","8.347","0.0005","8.347","0.0005","10.218","0.0007","90","","90","","120","","616.53","0.07","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C H5 Br3 N2 Pb -","- C Br3 N1.98 Pb -","- C3 Br9 N5.94 Pb3 -","3","0.166667","","Govinda, Sharada; Kore, Bhushan P.; Swain, Diptikanta; Hossain, Akmal; De, Chandan; Guru Row, Tayur N.; Sarma, D. D.","Critical Comparison of FAPbX3 and MAPbX3 (X = Br and Cl): How Do They Differ?","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.8b00602","","","0.71073","MoKα","","0.0369","0.0369","","","0.0842","0.0842","","","","","","1.109","","","","has coordinates","206869","2020-10-21","18:00:00",""
"1549390","27.4634","0.0006","27.4634","0.0006","46.6552","0.0016","90","","90","","120","","30474.7","1.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C159 H108 Ag29 N3 O10 P4 S24 -","- C159 H108 Ag29 N3 O10 P4 S24 -","- C954 H648 Ag174 N18 O60 P24 S144 -","6","0.333333","","Nag, Abhijit; Chakraborty, Papri; Bodiuzzaman, Mohammad; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil","Polymorphism of Ag<sub>29</sub>(BDT)<sub>12</sub>(TPP)<sub>4</sub><sup>3-</sup> cluster: interactions of secondary ligands and their effect on solid state luminescence.","Nanoscale","2018","10","21","9851","9855","10.1039/c8nr02629g","","","1.54178","CuKα","","0.1609","0.0768","","","0.152","0.1907","","","","","","1.059","","","","has coordinates","230158","2020-10-21","18:00:00",""
"1549680","22.4712","0.0007","22.4712","0.0007","62.0494","0.0018","90","","90","","120","","27134.4","1.4","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C288 H378 Cd24 Cl8 N16 O82 P6 S24 -","- C285 H306 Cd24 Cl8 N15 O81 P6 S24 -","- C855 H918 Cd72 Cl24 N45 O243 P18 S72 -","3","0.166667","","Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping","Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity.","Nanoscale","2018","10","30","14448","14454","10.1039/c8nr03474e","","","0.71073","MoKα","","0.0557","0.0491","","","0.1381","0.1435","","","","","","1.047","","","","has coordinates,has disorder","230155","2020-10-21","18:00:00",""
"1549930","37.232","0.008","37.232","0.008","80.093","0.018","90","","90","","120","","96152","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 Co48 N72 O126 S48 -","- C642 H600 Cl12 Co48 N72 O126 S48 -","- C1926 H1800 Cl36 Co144 N216 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.0915","0.0735","","","0.2054","0.2227","","","","","","0.982","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549931","37.799","0.006","37.799","0.006","86.192","0.013","90","","90","","120","","106649","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 N72 Ni48 O126 S48 -","- C642 H600 Cl12 N72 Ni48 O126 S48 -","- C1926 H1800 Cl36 N216 Ni144 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.1109","0.0617","","","0.1536","0.1692","","","","","","1.03","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1550015","17.533","0.004","17.533","0.004","11.484","0.003","90","","90","","120","","3057.3","1.3","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 F6 N4 -","- C16 F6 N4 -","- C144 F54 N36 -","9","0.5","","Li, Jing; Duchemin, Ivan; Roscioni, Otello Maria; Friederich, Pascal; Anderson, Marie; Da Como, Enrico; Kociok-Köhn, Gabriele; Wenzel, Wolfgang; Zannoni, Claudio; Beljonne, David; Blase, Xavier; D'Avino, Gabriele","Host dependence of the electron affinity of molecular dopants","Materials Horizons","2019","6","1","107","","10.1039/C8MH00921J","","","1.54184","CuKα","","0.0729","0.0585","","","0.1643","0.1808","","","","","","1.062","","","","has coordinates,has disorder","225360","2020-10-21","18:00:00",""
"1551064","11.598","0.008","11.598","0.008","25.367","0.018","90","","90","","120","","2955","4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H36 F18 Fe O6 P3 S6 -","- C12 H36 F18.008 Fe O6 P3 S6 -","- C36 H108 F54.024 Fe3 O18 P9 S18 -","3","0.166667","","Shomura, Kaoru; Mitsuhashi, Ryoji; Mikuriya, Masahiro; Kataoka, Yusuke; Handa, Makoto; Sakiyama, Hiroshi","Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylsulfoxide-κ<i>O</i>)iron(III) Tris(hexafluoridophosphate)","X-ray Structure Analysis Online","2019","35","0","31","","10.2116/xraystruct.35.31","","","0.71073","MoKα","","0.0853","0.0509","","","0.1343","0.1565","","","","","","1.046","","","","has coordinates,has disorder","215200","2020-10-21","18:00:00",""
"1551392","48.517","0.005","48.517","0.005","64.134","0.007","90","","90","","120","","130740","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27 -","- C586.5 H489.75 B126 Co12 N101.25 -","- C3519 H2938.5 B756 Co72 N607.5 -","6","0.333333","","Felix J. Rizzuto; Jonathan R. Nitschke","Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron","Nature Chemistry","2017","10","","903","908","10.1038/nchem.2758","","","0.6889","synchrotron","","0.1767","0.1491","","","0.3782","0.3995","","","","","","1.208","","","","has coordinates,has disorder","215921","2020-10-21","18:00:00",""
"1551478","38.1839","0.0002","38.1839","0.0002","57.9645","0.0004","90","","90","","120","","73190.3","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper bromide","","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C2394 H2160 Br108 Cu54 N162 O567 S63 -","9","0.5","","Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie","An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links","Nature Chemistry","2015","7","","526","531","10.1038/nchem.2259","","","1.54184","CuKα","","0.1369","0.1302","","","0.3568","0.3698","","","","","","1.808","","","","has coordinates,has disorder","216050","2020-10-21","18:00:00",""
"1551500","47.726","0.005","47.726","0.005","39.415","0.008","90","","90","","120","","77750","2","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C384 H306 F30 Fe6 N36 O24 P5 -","- C384 F29.9994 Fe6 N36 O24 P4.9999 -","- C2304 F179.996 Fe36 N216 O144 P29.9994 -","6","0.333333","","Liang Zhang; Alexander J. Stephens; Alina L. Nussbaumer; Jean-Francois Lemonnier; Pia Jurcek; Inigo J. Vitorica-Yrezabal; David A. Leigh","Stereoselective synthesis of a composite knot with nine crossings","Nature Chemistry","2018","10","","1083","1088","10.1038/s41557-018-0124-6","","x-ray","0.6889","Synchrotron","","0.343","0.2678","","","0.5742","0.6393","","","","","","2.608","","","","has coordinates,has disorder","216102","2020-10-21","18:00:00",""
"1551618","45.69","0.008","45.69","0.008","12.589","0.002","90","0.004","90","0.004","120","0.003","22760","7","90","2","90","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H64 N2 O21 S2 V4 -","- C28 H45 N O20 S2 V4 -","- C504 H810 N18 O360 S36 V72 -","18","1","","MIKURIYA, Masahiro; FUKUTANI, Masami; OMOTE, Masataka; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of Another Tetranuclear Oxidovanadium(IV) Complex with 2,6-Bis(hydroxymethyl)-4-methylphenol Having an N<sub>2</sub>-Adsorption Property","X-ray Structure Analysis Online","2016","32","0","29","","10.2116/xraystruct.32.29","","","0.71073","MoKα","","0.0988","0.0614","","","0.1516","0.1702","","","","","","0.904","","","","has coordinates","216229","2020-10-21","18:00:00",""
"1551832","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","216453","2020-10-21","18:00:00",""
"1552126","28.857","0.002","28.857","0.002","10.4312","0.0007","90","","90","","120","","7522.6","0.9","170","2","170","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H14 F12 Mn N2 O4 S4 -","- C24 H14 F12 Mn N2 O4 S4 -","- C216 H126 F108 Mn9 N18 O36 S36 -","9","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","1.54178","CuKα","","0.0918","0.069","","","0.1732","0.1935","","","","","","1.066","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552274","20.4365","0.0005","20.4365","0.0005","8.654","0.0002","90","","90","","120","","3130.12","0.13","150","2","150.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H24 B3 N3 -","- C24 H24 B3 N3 -","- C144 H144 B18 N18 -","6","0.333333","","Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Borazatruxenes","Chemical Science","2019","","","","","10.1039/C9SC02489A","","x-ray","1.54184","CuKα","","0.0411","0.0366","","","0.0963","0.0995","","","","","","1.074","","","","has coordinates,has disorder","217802","2020-10-21","18:00:00",""
"1553458","40.354","0.008","40.354","0.008","14.657","0.003","90","","90","","120","","20670","7","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","vs_nts_ru2","","","- C42 H43 Cl2 N3 O4 Ru S -","- C42 H43 Cl2 N3 O4 Ru S -","- C756 H774 Cl36 N54 O72 Ru18 S18 -","18","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0857","0.066","","","0.1839","0.1966","","","","","","1.297","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553536","36.49","0.005","36.49","0.005","21.305","0.004","90","","90","","120","","24567","7","173.15","","173.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H40 Cl N3 Pd -","- C44 H40 Cl N3 Pd -","- C792 H720 Cl18 N54 Pd18 -","18","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0755","0.0652","","","0.2056","0.2162","","","","","","1.072","","","","has coordinates,has disorder","235107","2020-10-21","18:00:00",""
"1553655","24.741","0.005","24.741","0.005","19.826","0.004","90","","90","","120","","10510","4","400","2","400","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C432 H504 N72 -","6","0.333333","","Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.","A solution-processable dissymmetric porous organic cage","Molecular Systems Design & Engineering","2018","3","1","223","","10.1039/C7ME00090A","","x-ray","0.71073","MoKα","","0.0629","0.0538","","","0.142","0.1513","","","","","","1.075","","","","has coordinates","235693","2020-10-21","18:00:00",""
"1553656","24.483","0.0011","24.483","0.0011","19.6123","0.0009","90","","90","","120","","10181","0.8","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C73.1 H89.96 Cl1.55 N12 O1.89 -","- C73.095 H87.765 Cl1.551 N12 O1.893 -","- C438.57 H526.59 Cl9.306 N72 O11.358 -","6","0.333333","","Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.","A solution-processable dissymmetric porous organic cage","Molecular Systems Design & Engineering","2018","3","1","223","","10.1039/C7ME00090A","","x-ray","0.71073","MoKα","","0.0731","0.0608","","","0.1563","0.1666","","","","","","1.074","","","","has coordinates,has disorder","235693","2020-10-21","18:00:00",""
"1553669","14.4761","0.0005","14.4761","0.0005","40.5191","0.0019","90","","90","","120","","7353.5","0.5","294.37","0.1","294.37","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H18 F2 N2.67 O2 -","- C18 H18 F2 N2.66667 O2 -","- C324 H324 F36 N48 O36 -","18","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0755","0.0681","","","0.168","0.179","","","","","","1.064","","","","has coordinates","235880","2020-10-21","18:00:00",""
"1554157","15.5307","0.0005","15.5307","0.0005","16.582","0.0005","90","","90","","120","","3463.77","0.19","123","","123","","","","","","","","see text","3","R -3 :H","-R 3","148","","","","- C27 H39 Y -","- C27 H39 Y -","- C162 H234 Y6 -","6","0.333333","","Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?","Macromolecules","2016","49","5","1582","","10.1021/acs.macromol.5b01937","","x-ray","0.71073","MoKα","","0.0223","0.0217","","","0.0628","0.0632","","","","","","1.137","","","","has coordinates","236696","2020-10-21","18:00:00",""
"1554169","26.8702","0.0005","26.8702","0.0005","35.7526","0.0009","90","","90","","120","","22355.3","0.8","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H60 Br2 N2 Ni -","- C48 H60 Br2 N2 Ni -","- C864 H1080 Br36 N36 Ni18 -","18","1","","Zhong, Liu; Li, Guiliang; Liang, Guodong; Gao, Haiyang; Wu, Qing","Enhancing Thermal Stability and Living Fashion in α-Diimine‒Nickel-Catalyzed (Co)polymerization of Ethylene and Polar Monomer by Increasing the Steric Bulk of Ligand Backbone","Macromolecules","2017","50","7","2675","","10.1021/acs.macromol.7b00121","","","1.54178","CuKα","","0.0567","0.0463","","","0.1214","0.132","","","","","","1.023","","","","has coordinates","236718","2020-10-21","18:00:00",""
"1554504","25.2081","0.0012","25.2081","0.0012","30.11","0.0016","90","","90","","120","","16570","1.4","101","2","101","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C68 H68 Cl6 N4 O10 P2 -","- C68 H68 Cl6 N4 O10 P2 -","- C612 H612 Cl54 N36 O90 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.0688","0.0656","","","0.1913","0.1949","","","","","","0.996","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554508","24.8062","0.0009","24.8062","0.0009","30.0418","0.0011","90","","90","","120","","16009.5","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Cl N2 O7.33 P2 -","- C66 H66 Cl1.00013 N2 O7.33333 P2 -","- C594 H594 Cl9.0012 N18 O66 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.1453","0.1377","","","0.4022","0.4169","","","","","","2.015","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554511","24.7543","0.0007","24.7543","0.0007","30.0212","0.0009","90","","90","","120","","15931.6","0.8","100","","99.99","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Br N2 O4 P2 -","- C66 H66 Br0.990667 N2 O4 P2 -","- C594 H594 Br8.916 N18 O36 P18 -","9","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54184","CuKα","","0.1455","0.1345","","","0.3998","0.4175","","","","","","2.005","","","","has coordinates","237297","2020-10-21","18:00:00",""
"1554596","14.93","0.002","14.93","0.002","68.868","0.014","90","","90","","120","","13294","4","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C78.83 H76.5 F17.5 K0.83 N15.5 O11.5 S3.83 Sb Zn2 -","- C78.147 H76.5 F16.1913 K0.842 N15.5 O9.441 S3.147 Sb0.9608 Zn2 -","- C468.882 H459 F97.1478 K5.052 N93 O56.646 S18.882 Sb5.7648 Zn12 -","6","0.333333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","0.6889","Synchrotron","","0.0566","0.0516","","","0.16","0.1639","","","","","","1.132","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1554609","27.7671","0.0004","27.7671","0.0004","35.7644","0.0005","90","","90","","120","","23880.5","0.6","120","0.1","120","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C312 H312 Cs6 N60 O12 U6 -","- C312 H312 Cs6 N60 O12 U6 -","- C936 H936 Cs18 N180 O36 U18 -","3","0.166667","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","1.54184","CuKα","","0.0808","0.0658","","","0.1669","0.1764","","","","","","1.027","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1555028","26.4383","0.0016","26.4383","0.0016","8.6956","0.0005","90","","90","","120","","5263.8","0.5","170","2","170","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H13 N O -","- C15 H13 N O -","- C270 H234 N18 O18 -","18","1","","Zhang, Yan; Wang, Dahai; Cui, Sunliang","Facile Synthesis of Isoindolinones via Rh(III)-Catalyzed One-Pot Reaction of Benzamides, Ketones, and Hydrazines.","Organic letters","2015","17","10","2494","2497","10.1021/acs.orglett.5b01016","","","0.71073","MoKα","","0.0492","0.038","","","0.0861","0.0943","","","","","","1.048","","","","has coordinates","238279","2020-10-21","18:00:00",""
"1555397","20.9278","0.0013","20.9278","0.0013","11.7428","0.0016","90","","90","","120","","4454","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C62 H73.33 N13 O12 -","- C62 H73.38 N13 O12 -","- C186 H220.14 N39 O36 -","3","0.166667","","Ren, Changliang; Shen, Jie; Zeng, Huaqiang","One-Pot Synthesis of Strained Macrocyclic Pyridone Hexamers and Their High Selectivity toward Cu(2+) Recognition.","Organic letters","2015","17","24","5946","5949","10.1021/acs.orglett.5b02780","","","0.71073","MoKα","","0.0989","0.0838","","","0.2494","0.2672","","","","","","1.108","","","","has coordinates,has disorder","238607","2020-10-21","18:00:00",""
"1555517","29.475","0.011","29.475","0.011","7.245","0.004","90","","90","","120","","5451","4","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C270 H288 O54 -","18","1","","Li, Xiaoyu; Liu, Xiaoyu; Jiao, Xiaozhen; Yang, Hongguang; Yao, Yangyang; Xie, Ping","An approach to (±)-Lingzhiol.","Organic letters","2016","18","8","1944","1946","10.1021/acs.orglett.6b00542","","","1.54178","CuKα","","0.0545","0.0431","","","0.1091","0.1234","","","","","","1.086","","","","has coordinates","238835","2020-10-21","18:00:00",""
"1555684","41.1943","0.0008","41.1943","0.0008","4.9303","0.0004","90","","90","","120","","7245.7","0.6","123","","123","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H28 F6 N4 S2 -","- C32 H28 F6 N4 S2 -","- C288 H252 F54 N36 S18 -","9","0.5","","Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio","Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics.","Organic letters","2016","18","17","4320","4323","10.1021/acs.orglett.6b02070","","","1.54187","CuKα","","0.0951","0.0708","","","0.1818","0.1927","","","","","","1.106","","","","has coordinates","239014","2020-10-21","18:00:00",""
"1555796","31.6291","0.0013","31.6291","0.0013","12.7824","0.0005","90","","90","","120","","11074.3","0.8","170.3","","170.3","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C64 H60 N4 -","- C64 H60 N4 -","- C576 H540 N36 -","9","0.5","","Zhu, Huangtianzhi; Shi, Bingbing; Chen, Kexian; Wei, Peifa; Xia, Danyu; Mondal, Julfikar Hassan; Huang, Feihe","Cyclo[4]carbazole, an Iodide Anion Macrocyclic Receptor.","Organic letters","2016","18","19","5054","5057","10.1021/acs.orglett.6b02500","","","0.71073","MoKα","","0.1051","0.0837","","","0.2344","0.2639","","","","","","1.026","","","","has coordinates,has disorder","239126","2020-10-21","18:00:00",""
"1555995","37.5582","0.0009","37.5582","0.0009","9.9323","0.0003","90","","90","","120","","12133.6","0.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H27 N O2 S -","- C36 H27 N O2 S -","- C648 H486 N18 O36 S18 -","18","1","","Jalal, Swapnadeep; Paul, Kartick; Jana, Umasish","Iron-Catalyzed 1,5-Enyne Cycloisomerization via 5-Endo-Dig Cyclization for the Synthesis of 3-(Inden-1-yl)indole Derivatives.","Organic letters","2016","18","24","6512","6515","10.1021/acs.orglett.6b03544","","","0.71073","MoKα","","0.119","0.053","","","0.1584","0.2213","","","","","","0.984","","","","has coordinates","239316","2020-10-21","18:00:00",""
"1556001","26.495","0.002","26.495","0.002","25.84","0.002","90","","90","","120","","15709","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C540 H540 N36 O54 -","18","1","","Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg","Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.","Organic letters","2017","19","3","674","677","10.1021/acs.orglett.6b03841","","","0.71073","MoKα","","0.2316","0.1185","","","0.2862","0.3575","","","","","","0.973","","","","has coordinates,has disorder","239323","2020-10-21","18:00:00",""
"1556238","35.0181","0.0011","35.0181","0.0011","8.029","0.0002","90","","90","","120","","8526.6","0.4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.17 H5.67 F5 N3 O1.17 P S2 -","- C16.17 H5.68 F5 N3 O1.17 P S2 -","- C291.06 H102.24 F90 N54 O21.06 P18 S36 -","18","1","","He, Xiaoming; Zhang, Ping; Lin, Jian-Bin; Huynh, Huy V.; Navarro Muñoz, Sandra E; Ling, Chang-Chun; Baumgartner, Thomas","Synthesis of P-triazole dithienophospholes and a cyclodextrin-based sensor via click chemistry.","Organic letters","2013","15","20","5322","5325","10.1021/ol402582p","","","0.71073","MoKα","","0.0803","0.062","","","0.1947","0.2202","","","","","","1.007","","","","has coordinates","243585","2020-10-21","18:00:00",""
"1556270","12.5877","0.0004","12.5877","0.0004","29.1803","0.0011","90","","90","","120","","4004.2","0.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H48 F6 O12 S8 Zn -","- C44 H48 F6 O12 S8 Zn -","- C132 H144 F18 O36 S24 Zn3 -","3","0.166667","","Enthaler, Stephan","A straightforward zinc-catalysed reduction of sulfoxides to sulfides","Catalysis Science & Technology","2011","1","1","104","","10.1039/c0cy00039f","","","0.71073","MoKα","","0.0423","0.0301","","","0.0716","0.0746","","","","","","1.001","","","","has coordinates","244135","2020-10-21","18:00:00",""
"1556359","23.055","0.0002","23.055","0.0002","31.0318","0.0004","90","","90","","120","","14284.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C108 H126 Ni2 P8 -","- C108 H126 Ni2 P8 -","- C648 H756 Ni12 P48 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0376","0.0327","","","0.0855","0.0905","","","","","","1.032","","","","has coordinates","244377","2020-10-21","18:00:00",""
"1556360","23.0523","0.0008","23.0523","0.0008","31.4482","0.0011","90","","90","","120","","14472.9","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H126 As2 Ni2 P6 -","- C108 H126 As2 Ni2 P6 -","- C648 H756 As12 Ni12 P36 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0368","0.0277","","","0.0695","0.0766","","","","","","1.028","","","","has coordinates","244377","2020-10-21","18:00:00",""
"1556431","34.0652","0.0003","34.0652","0.0003","18.1656","0.0002","90","","90","","120","","18255.9","0.3","83","2","83","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C1064.7 H599.4 Al18 Cl5.4 N72 O54 -","3","0.166667","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.78224","synchrotron","","0.0957","0.0791","","","0.2134","0.2317","","","","","","1.124","","","","has coordinates,has disorder","244928","2020-10-21","18:00:00",""
"1556919","24.5798","0.0009","24.5798","0.0009","11.7412","0.0005","90","","90","","120","","6143.3","0.4","208","","208","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C234 H198 N54 O36 -","18","1","","Desta, Israel Tilahun; Chizhik, Stanislav A.; Sidelnikov, Anatoli A.; Karothu, Durga Prasad; Boldyreva, Elena V.; Naumov, Pance","Mechanically Responsive Crystals: Analysis of Macroscopic Strain Reveals ""Hidden"" Processes.","The journal of physical chemistry. A","2019","","","","","10.1021/acs.jpca.9b10365","","","1.54178","CuKα","","0.0528","0.0518","","","0.1629","0.1639","","","","","","1.146","","","","has coordinates","246500","2020-10-21","18:00:00",""
"1557021","12.046","0.002","12.046","0.002","28.705","0.006","90","","90","","120","","3607.2","1.1","","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H16 Al Na O10 -","- C10 H16 Al Na O10 -","- C90 H144 Al9 Na9 O90 -","9","0.5","","Karlsson, Magnus; Bostrom, Dan; Clausen, Maria; Ohman, Lars-Olof","Equilibrium and Structural Studies of Silicon(IV) and Aluminium(III) in Aqueous Solution. 34. A Crystal Structure Determination of the Al(methylmalonate)2(CH3OH)2- Complex with Na+ as Counter-Ion","Acta Chemica Scandinavica","1998","52","","1116","1121","10.3891/acta.chem.scand.52-1116","","x-ray","0.71069","MoKα","","","0.064","","","0.066","","","","","","","1","","","","has coordinates","246774","2020-10-21","18:00:00",""
"1557395","22.979","0.005","22.979","0.005","15.496","0.004","90","","90","","120","","7086","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H68 N18 O27 Zn8 -","- C102 H68.0004 N18 O27 Zn8 -","- C306 H204.001 N54 O81 Zn24 -","3","0.166667","","Chen, Sheng-Chun; Zhang, Fei-Hang; Huang, Kun-Lin; Tian, Feng; Zhang, Zhi-Hui; Zhou, Renxian; Feng, Xue-Jun; Zhou, Xiaoying; He, Ming-Yang; Gu, Jiande; Chen, Qun; Wu, Chuan-De","The crucial roles of guest water in a biocompatible coordination network in the catalytic ring-opening polymerization of cyclic esters: a new mechanistic perspective","Chemical Science","2020","11","12","3345","3354","10.1039/C9SC06024C","","","0.71073","MoKα","","0.0825","0.0627","","","0.1507","0.1594","","","","","","1.192","","","","has coordinates","257411","2020-10-21","18:00:00",""
"1557737","32.6262","0.0018","32.6262","0.0018","73.225","0.005","90","","90","","120","","67503","7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H810 Mo132 N46 O708 S2 -","- C78.6 H49.5 Mo132 O584.94 -","- C235.8 H148.5 Mo396 O1754.82 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.71073","MoKα","","0.0775","0.0591","","","0.1527","0.1884","","","","","","1.152","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557738","32.3898","0.0003","32.3898","0.0003","72.8225","0.0007","90","","90","","120","","66162.6","1.1","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H806 Mo132 N48 O676 S3 -","- C120 H150 Mo132 O572.1 -","- C360 H450 Mo396 O1716.3 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0698","0.064","","","0.2086","0.2176","","","","","","1.082","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557739","32.4465","0.0002","32.4465","0.0002","72.887","0.0005","90","","90","","120","","66453.3","0.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H926 Mo132 N48 O736 S3 -","- C115.8 H100.2 Mo132 O580.2 -","- C347.4 H300.6 Mo396 O1740.6 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0661","0.0598","","","0.1943","0.2012","","","","","","1.066","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557832","43.6284","0.0011","43.6284","0.0011","10.7942","0.0003","90","","90","","120","","17793.4","0.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C82 H92 N10 O8 -","- C82 H92 N10 O8 -","- C738 H828 N90 O72 -","9","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.0979","0.0706","","","0.1611","0.1751","","","","","","1.035","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557955","23.4927","0.0005","23.4927","0.0005","32.5166","0.0007","90","","90","","120","","15541.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C87 H77.33 F6 N12 O23.67 Ru3 -","- C87 H77.3322 F6 N12 O23.6661 Ru3 -","- C522 H463.993 F36 N72 O141.997 Ru18 -","6","0.333333","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0395","0.0385","","","0.1171","0.1181","","","","","","1.157","","","","has coordinates,has disorder","257278","2020-10-21","18:00:00",""
"1558048","16.7567","0.0005","16.7567","0.0005","25.0576","0.0008","90","","90","","120","","6093.2","0.3","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H121 Er3 N12 O43 Yb3 -","- C42.9962 H120.983 Er3 N12 O42.996 Yb3 -","- C128.989 H362.95 Er9 N36 O128.988 Yb9 -","3","0.166667","","Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee","NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.","Nanoscale","2020","12","21","11435","11439","10.1039/d0nr02236e","","","0.71073","MoKα","","0.0275","0.0242","","","0.0626","0.0643","","","","","","1.065","","","","has coordinates,has disorder","252856","2020-10-21","18:00:00",""
"1558178","31.0383","0.0008","31.0383","0.0008","11.8708","0.0004","90","","90","","120","","9903.9","0.5","123","2","123.15","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C74 H84 O19 -","- C74.0001 H84 O19 -","- C444.001 H504 O114 -","6","0.333333","","Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Synthesis of Cycloiptycenes from Carbon Nanobelt","Chemical Science","2020","","","","","10.1039/D0SC02501A","","x-ray","0.71073","MoKα","","0.2302","0.1465","","","0.41","0.452","","","","","","1.51","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1558371","32.9585","0.0003","32.9585","0.0003","9.9663","0.0002","90","","90","","120","","9375.6","0.2","173","2","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H60 B2 Br2 N2 -","- C36 H60 B2 Br2 N2 -","- C324 H540 B18 Br18 N18 -","9","0.5","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","","1.54184","CuKα","","0.0604","0.0559","","","0.1635","0.1691","","","","","","1.051","","","","has coordinates,has disorder","253282","2020-10-21","18:00:00",""
"1558410","6.3775","0.0003","6.3775","0.0003","17.79","0.002","90","","90","","120","","626.62","0.08","","","293","","","","","","","","","2","R -3 :H","-R 3","148","ScCl3","","","- Cl3 Sc -","- Cl3 Sc -","- Cl18 Sc6 -","6","0.333333","","Fjellvag, Helmer; Karen, Pavel","Crystal Structure of ScCl3 Refined from Powder Neutron Diffraction Data","Acta Chemica Scandinavica","1994","48","","294","297","10.3891/acta.chem.scand.48-0294","powder diffraction","neutron","1.5938","","","","","","","","","","0.174","","","","","","","","has coordinates","253398","2020-10-21","18:00:00",""
"1558517","13.439","0.001","13.439","0.001","9.091","0.001","90","","90","","120","","1421.9","0.2","","","293","","","","","","","","","4","R -3 :H","-R 3","148","Na3V(SO4)3","","","- Na3 O12 S3 V -","- Na3 O12 S3 V -","- Na18 O72 S18 V6 -","6","0.333333","","Boghosian, Soghomon; Fehrmann, Rasmus; Nielsen, Kurt","Synthesis and Crystal Structure of Na3V(SO4)3. Spectroscopic Characterization of Na3V(SO4)3 and NaV(SO4)2","Acta Chemica Scandinavica","1994","48","","724","731","10.3891/acta.chem.scand.48-0724","","x-ray","0.71069","MoKα","","","0.0274","","","0.0399","","","","","","","","","","","has coordinates","254062","2020-10-21","18:00:00",""
"1558698","26.038","0.003","26.038","0.003","7.7843","0.001","90","","90","","120","","4570.5","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1054","0.0785","","0.2639","0.2168","0.2639","","","","","","0.9777","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558699","26.025","0.002","26.025","0.002","7.7498","0.0007","90","","90","","120","","4545.7","0.6","293","","293","","","","960000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1035","0.0823","","0.2525","0.2171","0.2525","","","","","","1.0556","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558700","26.453","0.002","26.453","0.002","7.7499","0.0006","90","","90","","120","","4696.5","0.6","293","","293","","","","520000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0955","0.0669","","0.1662","0.1275","0.1655","","","","","","1.0712","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558701","25.4451","0.0017","25.4451","0.0017","7.7312","0.0005","90","","90","","120","","4335","0.5","293","","293","","","","1570000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0809","0.0608","","0.2098","0.1666","0.2098","","","","","","0.9937","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558702","25.1855","0.0018","25.1855","0.0018","7.73","0.0006","90","","90","","120","","4246.3","0.5","293","","293","","","","2150000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.4859","?","","0.1126","0.0631","","0.1913","0.1298","0.1913","","","","","","1.0343","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558703","24.8906","0.0016","24.8906","0.0016","7.757","0.0005","90","","90","","120","","4161.9","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1138","0.0802","","0.1519","0.1257","0.1517","","","","","","1.0283","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558704","26.594","0.003","26.594","0.003","7.7475","0.0009","90","","90","","120","","4745.3","0.9","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0609","0.0452","","0.0833","0.075","0.0833","","","","","","0.9899","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558705","49.169","0.003","49.169","0.003","7.7897","0.0005","90","","90","","120","","16309.3","1.8","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H32 Cu2 N4 O8 -","- C36 H32 Cu2 N4 O8 -","- C648 H576 Cu36 N72 O144 -","18","1","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.2815","0.1966","","0.4126","0.2282","0.2282","","","","","","1.2142","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558706","26.44","0.0006","26.44","0.0006","7.8045","0.0002","90","","90","","120","","4724.97","0.19","293","","293","","","","70000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1011","0.0701","","0.1693","0.1481","0.1693","","","","","","1","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558707","26.3304","0.0007","26.3304","0.0007","7.7955","0.0002","90","","90","","120","","4680.5","0.2","293","","293","","","","140000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0949","0.0701","","0.1753","0.151","0.1753","","","","","","1.0493","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558708","25.342","0.002","25.342","0.002","7.7011","0.0005","90","","90","","120","","4283.2","0.6","293","","293","","","","1270000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1318","0.0871","","0.2454","0.1924","0.2454","","","","","","1.0094","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558709","26.0243","0.0005","26.0243","0.0005","7.7622","0.0002","90","","90","","120","","4552.75","0.17","293","","293","","","","330000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1366","0.0888","","0.1873","0.1667","0.1873","","","","","","1.1468","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558710","25.4689","0.0016","25.4689","0.0016","7.7069","0.0006","90","","90","","120","","4329.4","0.5","293","","293","","","","880000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.1688","0.1229","","0.3484","0.2935","0.3484","","","","","","0.9832","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558711","26.62","0.0012","26.62","0.0012","7.7505","0.0004","90","","90","","120","","4756.4","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0733","0.055","","0.1656","0.1503","0.1656","","","","","","1.1296","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558712","25.7864","0.0008","25.7864","0.0008","7.7459","0.0003","90","","90","","120","","4460.5","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0694","0.0514","","0.1613","0.1467","0.1613","","","","","","1.0139","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558713","25.2568","0.0011","25.2568","0.0011","7.7047","0.0004","90","","90","","120","","4256.4","0.3","293","","293","","","","1560000","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.138","0.0964","","0.2634","0.2125","0.2634","","","","","","1.035","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558714","26.1591","0.0014","26.1591","0.0014","7.7544","0.0005","90","","90","","120","","4595.4","0.5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0744","0.0559","","0.1817","0.1579","0.1817","","","","","","0.9837","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558715","25.3023","0.0007","25.3023","0.0007","7.7337","0.0003","90","","90","","120","","4287.8","0.2","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0576","0.0459","","0.1211","0.1112","0.1211","","","","","","0.8986","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558717","25.4345","0.0008","25.4345","0.0008","7.7363","0.0003","90","","90","","120","","4334.2","0.3","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0574","0.0442","","0.1047","0.0978","0.1047","","","","","","0.9951","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1558718","25.6002","0.0012","25.6002","0.0012","7.7386","0.0004","90","","90","","120","","4392.2","0.4","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C162 H144 Cu9 N18 O36 -","9","0.5","","McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A.","Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework","Chemical Science","2020","","","","","10.1039/D0SC03229H","","","0.71073","MoKα","","0.0766","0.0622","","0.2222","0.2005","0.2222","","","","","","1.1201","","","","has coordinates","254693","2020-10-21","18:00:00",""
"1559010","12.3186","0.0004","12.3186","0.0004","49.0829","0.0017","90","","90","","120","","6450.4","0.4","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate nickel triphenylstannide","","- C54 H49 B N6 Ni Sn -","- C48 H43 B N6 Ni Sn -","- C288 H258 B6 N36 Ni6 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.0327","","","0.0823","0.0871","","","","","","1.05","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559012","12.3859","0.0004","12.3859","0.0004","48.7382","0.0018","90","","90","","120","","6475.2","0.4","100","","99.99","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate zinc triphenylstannide","","- C54 H49 B N6 Sn Zn -","- C48 H43 B N6 Sn Zn -","- C288 H258 B6 N36 Sn6 Zn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0501","0.0422","","","0.1096","0.1172","","","","","","1.088","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559013","12.3722","0.0002","12.3722","0.0002","48.7964","0.001","90","","90","","120","","6468.6","0.2","100","","100.01","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate iron triphenylstannide","","- C54 H49 B Fe N6 Sn -","- C48 H43 B Fe N6 Sn -","- C288 H258 B6 Fe6 N36 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0415","0.0303","","","0.0706","0.0771","","","","","","1.049","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559015","12.3824","0.0006","12.3824","0.0006","49.104","0.002","90","","90","","120","","6520.1","0.5","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","hydrotris(3-phenyl-5-methylpyrazolyl)borate manganese triphenylstannide","","- C54 H49 B Mn N6 Sn -","- C48 H43 B Mn N6 Sn -","- C288 H258 B6 Mn6 N36 Sn6 -","6","0.333333","","Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E.","Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","Chemical Science","2020","","","","","10.1039/D0SC03777J","","","0.71073","MoKα","","0.0653","0.0533","","","0.149","0.1647","","","","","","1.048","","","","has coordinates","256235","2020-10-21","18:00:00",""
"1559795","16.2023","0.0011","16.2023","0.0011","5.6943","0.0004","90","","90","","120","","1294.57","0.15","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C6.286 H6 O2.57 -","- C6.285 H6 O2.57 -","- C56.565 H54 O23.13 -","9","0.5","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0162","0.0145","","","0.0332","0.0338","","","","","","1.1216","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559864","38.5368","0.0012","38.5368","0.0012","13.3783","0.0008","90","","90","","120","","17206.1","1.3","300","2","300.51","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H30 N2 S4 Si2 -","- C32 H30 N2 S4 Si2 -","- C576 H540 N36 S72 Si36 -","18","1","","Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua","Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties.","Soft matter","2021","17","2","341","345","10.1039/d0sm01957g","","","0.71073","MoKα","","0.0639","0.0366","","","0.0827","0.1004","","","","","","1.091","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560196","5.0788","0.0004","5.0788","0.0004","14.086","0.002","90","","90","","120","","314.66","0.06","293","","","","","","","","","","Noerdlinger Ries","4","R -3 :H","-R 3","148","","Irontitanate","wangdaodeite","- Fe5.52 Mn0.48 O18 Ti6 -","- Fe5.52 Mn0.48 O18 Ti3 -","- Fe5.52 Mn0.48 O18 Ti3 -","1","0.0555556","","Oliver Tschauner; Chi Ma; Matthew G. Newville; Antonio Lanzirotti","Structure Analysis of Natural Wangdaodeite-LiNbO3-Type FeTiO3","Minerals","2020","10","","1072","","10.3390/min10121072","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","261196","2021-01-25","10:40:23",""
"1560379","10.036","0.0006","10.036","0.0006","78.286","0.004","90","","90","","120","","6828.7","0.7","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","barium indium selenide (12/4/20)","barium indium selenide (12/4/20)","","- Ba12 In4 Se20 -","- Ba12 In4 Se20 -","- Ba72 In24 Se120 -","6","0.333333","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur","When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19","Journal of Solid State Chemistry","2017","253","","29","34","10.1016/j.jssc.2017.05.016","","","0.71073","MoKα","","0.0937","0.0485","","","0.1036","0.1254","","","","","","1.054","","","","has coordinates","261961","2021-02-15","10:17:30",""
"1560380","10.0108","0.0008","10.0108","0.0008","78.184","0.007","90","","90","","120","","6785.6","1","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","barium indium selenide (12/4/20)","barium indium selenide (12/4/20)","","- Ba12 In4 Se20 -","- Ba12 In4 Se20 -","- Ba72 In24 Se120 -","6","0.333333","","Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Yao, Jiyong; Mar, Arthur","When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19","Journal of Solid State Chemistry","2017","253","","29","34","10.1016/j.jssc.2017.05.016","","","0.71073","MoKα","","0.0646","0.0402","","","0.0864","0.0971","","","","","","1.075","","","","has coordinates","261963","2021-02-15","10:19:11",""
"1560429","39.982","0.003","39.982","0.003","9.0356","0.0008","90","","90","","120","","12508.8","1.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H18 Eu N O10 -","- C24 H18 Eu N O10 -","- C432 H324 Eu18 N18 O180 -","18","1","","Ma, Ranran; Chen, Zhiwei; Wang, Suna; Yao, Qingxia; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Solvent-induced assembly of two helical Eu(III) metal-organic frameworks and fluorescence sensing activities towards nitrobenzene and Cu 2+ ions","Journal of Solid State Chemistry","2017","252","","142","151","10.1016/j.jssc.2017.05.018","","","0.71073","MoKα","","0.061","0.0429","","","0.1309","0.1396","","","","","","1.005","","","","has coordinates","262005","2021-02-16","10:08:20",""
"1560599","25.7763","0.0005","25.7763","0.0005","17.9852","0.0004","90","","90","","120","","10348.7","0.4","149.99","0.14","149.99","0.14","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C540 H324 N72 S18 -","18","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","x-ray","1.54184","CuKα","","0.0462","0.041","","","0.1044","0.1108","","","","","","1.032","","","","has coordinates","265925","2021-06-05","17:57:40",""
"1560795","5.00019","0.00006","5.00019","","22.5894","0.00035","90","","90","","120","","489.112","0.01","298","2","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba Co2 O8 P0.8 V1.2 -","- Ba Co2 O8 P0.8 V1.2 -","- Ba3 Co6 O24 P2.4 V3.6 -","3","0.166667","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.04859","","1.12","","","","","","","has coordinates","262396","2021-03-03","10:34:37",""
"1560797","4.97","0.00008","4.97","","22.7015","0.0005","90","","90","","120","","485.622","0.013","298","2","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba Co2 O8 P V -","- Ba Co2 O8 P V -","- Ba3 Co6 O24 P3 V3 -","3","0.166667","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.10277","","1.23","","","","","","","has coordinates","262398","2021-03-03","10:37:13",""
"1560949","34.7546","0.0009","34.7546","0.0009","9.9252","0.0004","90","","90","","120","","10382.3","0.6","148","2","148","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H26 O6 -","- C28 H26 O6 -","- C504 H468 O108 -","18","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","1.54178","CuKα","","0.044","0.0365","","","0.0794","0.0832","","","","","","1.058","","","","has coordinates","262899","2021-03-09","02:13:25",""
"1561319","9.7497","0.0012","9.7497","0.0012","27.0453","0.0032","90","","90","","120","","2226.4","0.5","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","K2 Sn Ta6 Br18","","- Br18 K2 Sn Ta6 -","- Br18 K2 Sn Ta6 -","- Br54 K6 Sn3 Ta18 -","3","0.166667","","Lemoine, P.; Wilmet, M.; Malaman, B.; Paofai, S.; Dumait, N.; Cordier, S.","Crystal structure of the new A 2 SnTa 6 X 18 (A = K, Rb, Cs; X = Cl, Br) cluster compounds","Journal of Solid State Chemistry","2018","257","","72","79","10.1016/j.jssc.2017.09.027","","x-ray","0.71073","MoKα","","0.0506","0.0275","","","0.0482","0.0517","","","","","","0.839","","","","has coordinates","263402","2021-03-29","07:09:12",""
"1561489","14.311","0.0019","14.311","0.0019","15.344","0.003","90","","90","","120","","2721.5","0.7","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 Ta8 -","- Ga41 Ta8 -","- Ga123 Ta24 -","3","0.166667","","Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald","Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities","Journal of Solid State Chemistry","2016","238","","88","102","10.1016/j.jssc.2016.03.014","","","0.71073","MoKα","","0.2033","0.1632","","","0.3818","0.4144","","","","","","1.477","","","","has coordinates","263898","2021-04-06","09:01:04",""
"1561506","27.72","0.005","27.72","0.005","8.84","0.003","90","","90","","120","","5883","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 Co N12 -","- C22 H14 Co N12 -","- C198 H126 Co9 N108 -","9","0.5","","Dong, Wen-Wen; Xia, Liang; Peng, Zhen; Zhao, Jun; Wu, Ya-Pan; Zhang, Jian; Li, Dong-Sheng","Unique microporous NbO-type CoII/ZnII MOFs from double helical chains: Sorption and luminescent properties","Journal of Solid State Chemistry","2016","238","","170","174","10.1016/j.jssc.2016.03.027","","","0.71073","MoKα","","0.0948","0.0762","","","0.1563","0.1677","","","","","","1.201","","","","has coordinates","263905","2021-04-06","09:28:38",""
"1561507","28.6","0.04","28.6","0.04","17.6","0.02","90","","90","","120","","12467","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 N12 Zn -","- C22 H14 N12 Zn -","- C396 H252 N216 Zn18 -","18","1","","Dong, Wen-Wen; Xia, Liang; Peng, Zhen; Zhao, Jun; Wu, Ya-Pan; Zhang, Jian; Li, Dong-Sheng","Unique microporous NbO-type CoII/ZnII MOFs from double helical chains: Sorption and luminescent properties","Journal of Solid State Chemistry","2016","238","","170","174","10.1016/j.jssc.2016.03.027","","","0.71073","MoKα","","0.1811","0.1697","","","0.4601","0.4738","","","","","","2.003","","","","has coordinates","263906","2021-04-06","09:30:01",""
"1561691","16.172","0.004","16.172","0.004","16.423","0.007","90","","90","","120","","3720","2","113","2","113","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C56 H50.4 N2 O15.2 Zn3 -","- C55.92 H30 N1.98 O15.18 Zn3 -","- C167.76 H90 N5.94 O45.54 Zn9 -","3","0.166667","","Yu, Zongchao; Wang, Fengqin; Lin, Xiangyi; Wang, Chengmiao; Fu, Yiyuan; Wang, Xiaojun; Zhao, Yongnan; Li, Guodong","Selective fluorescence sensors for detection of nitroaniline and metal Ions based on ligand-based luminescent metal-organic frameworks","Journal of Solid State Chemistry","2015","232","","96","101","10.1016/j.jssc.2015.09.010","","","0.71073","MoKα","","0.0505","0.0457","","","0.1255","0.1299","","","","","","1.075","","","","has coordinates,has disorder","264088","2021-04-13","10:01:50",""
"1561723","15.3439","0.0007","15.3439","0.0007","31.198","0.003","90","","90","","120","","6361.1","0.7","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H72 N12 Ni2 O25 V2 W4 -","- C72 H72 N12 Ni2 O25 V1.98 W4.02 -","- C216 H216 N36 Ni6 O75 V5.94 W12.06 -","3","0.166667","","Liu, Yunping; Zheng, Ran; Han, Zhangang; Gong, Kaining; He, Xueli; Zhai, Xueliang","Supramolecular hybrids of polytungstates and their adsorption properties for methylene blue","Journal of Solid State Chemistry","2015","231","","169","174","10.1016/j.jssc.2015.08.026","","","0.71073","MoKα","","0.0301","0.0274","","","0.0872","0.0904","","","","","","1.043","","","","has coordinates,has disorder","264127","2021-04-14","07:54:30",""
"1561875","13.982","0.003","13.982","0.003","67.108","0.015","90","","90","","120","","11362","4","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C70 H73 Br3 F12 Fe N6 O10 P2 -","- C69.98 H72.94 Br3 F12 Fe N6 O9.99 P1.9999 -","- C419.88 H437.64 Br18 F72 Fe6 N36 O59.94 P11.9994 -","6","0.333333","","Morozumi, Takuma; Matsuoka, Ryota; Nakamura, Takashi; Nabeshima, Tatsuya","Solvent-dependent fac/mer-isomerization and self-assembly of triply helical complexes bearing a pivot part","Chemical Science","2021","","","","","10.1039/D1SC01529J","","","0.71073","MoKα","","0.1028","0.0643","","","0.176","0.1997","","","","","","1.068","","","","has coordinates,has disorder","264260","2021-04-17","00:46:59",""
"1561915","10.7796","0.0004","10.7796","0.0004","27.5862","0.0012","90","","90","","120","","2776.05","0.19","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ce Mo16 O44 -","- Ce Mo16 O44 -","- Ce3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1353","0.0612","","0.0277","0.0224","0.0224","","","","","","1.0615","","","","has coordinates","264305","2021-04-19","09:09:10",""
"1561916","10.766","0.0007","10.766","0.0007","27.396","0.002","90","","90","","120","","2750","0.3","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Dy Mo16 O44 -","- Dy Mo16 O44 -","- Dy3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1454","0.0866","","0.1225","0.0896","0.0896","","","","","","1.1118","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561917","10.7737","0.0004","10.7737","0.0004","27.4062","0.0013","90","","90","","120","","2754.92","0.19","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ho Mo16 O44 -","- Ho Mo16 O44 -","- Ho3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1006","0.0908","","0.0469","0.0442","0.0442","","","","","","1.1782","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561918","10.7683","0.0003","10.7683","0.0003","27.5217","0.0007","90","","90","","120","","2763.76","0.13","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 Nd O44 -","- Mo16 Nd O44 -","- Mo48 Nd3 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1241","0.0693","","0.048","0.0326","0.0326","","","","","","1.2344","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561919","10.7597","0.0007","10.7597","0.0007","27.517","0.002","90","","90","","120","","2758.9","0.3","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 O44 Pr -","- Mo16 O44 Pr -","- Mo48 O132 Pr3 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.2083","0.0768","","0.0397","0.016","0.016","","","","","","1.0872","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561920","10.76743","0.00019","10.76743","0.00019","27.4399","0.0006","90","","90","","120","","2755.1","0.09","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 O44 Tb -","- Mo16 O44 Tb -","- Mo48 O132 Tb3 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.0786","0.0588","","0.0613","0.0513","0.0513","","","","","","1.1749","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1562655","21.6789","0.001","21.6789","0.001","13.5967","0.0012","90","","90","","120","","5534","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H84 B18 N12 O67 V12 -","- C18 H69 B18 N12 O67 V12 -","- C54 H207 B54 N36 O201 V36 -","3","0.166667","","Liu, Xing; Zhou, Jian; An, Litao; Chen, Rong; Hu, Feilong; Tang, Qiuling","Hydrothermal syntheses, crystal structures and characterization of new vanadoborates: The novel decorated cage cluster [V6B22O44(OH)10]","Journal of Solid State Chemistry","2013","201","","79","84","10.1016/j.jssc.2013.02.021","","","0.71073","MoKα","","0.075","0.0516","","","0.1416","0.1634","","","","","","1.05","","","","has coordinates","265301","2021-05-18","09:09:12",""
"1562702","21.584","0.004","21.584","0.004","10.475","0.004","90","","90","","120","","4226","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H42 Mo12 N12 O40 Si -","- C30 H42 Mo12 N12 O40 Si -","- C90 H126 Mo36 N36 O120 Si3 -","3","0.166667","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic‒organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0704","0.0632","","","0.1689","0.1756","","","","","","1.008","","","","has coordinates,has disorder","265360","2021-05-20","07:42:28",""
"1562915","7.9501","0.0003","7.9501","0.0003","19.8668","0.0015","90","","90","","120","","1087.44","0.1","200","0.2","200","0.2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H24 F6 N2 Ti -","- C8 H23.94 F6 N2 Ti -","- C24 H71.82 F18 N6 Ti3 -","3","0.166667","","Kim, Eun-ah; Lee, Dong Woo; Ok, Kang Min","Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedra","Journal of Solid State Chemistry","2012","195","","149","154","10.1016/j.jssc.2011.11.027","","","0.71073","MoKα","","0.06","0.0486","","","0.1324","0.1357","","","","","","1.303","","","","has coordinates","265546","2021-05-27","08:28:05",""
"1563047","6.723","0.002","6.723","0.002","19.069","0.006","90","","90","","120","","746.4","0.4","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cu2.84 Dy1.06 S3 -","- Cu2.82 Dy1.06 S3 -","- Cu16.92 Dy6.36 S18 -","6","0.333333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0383","0.0344","","","0.0992","0.1012","","","","","","1.101","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1563054","6.7475","0.0017","6.7475","0.0017","19.17","0.005","90","","90","","120","","755.9","0.3","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cu3 S3 Tb -","- Cu3 S3 Tb -","- Cu18 S18 Tb6 -","6","0.333333","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0384","0.038","","","0.1008","0.1011","","","","","","1.152","","","","has coordinates","265653","2021-06-01","09:44:11",""
"1563392","15.2649","0.0009","15.2649","0.0009","16.0129","0.001","90","","90","","120","","3231.4","0.3","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","lanthanum-manganese carbide","lanthanum-manganese carbide","","- C18 La11 Mn3 -","- C18 La11 Mn3 -","- C108 La66 Mn18 -","6","0.333333","","Zaikina, Julia V.; Zhou, Haidong; Latturner, Susan E.","Structural relationships between new carbide La14Sn(MnC6)3 and fully ordered La11(MnC6)3","Journal of Solid State Chemistry","2010","183","12","2987","2994","10.1016/j.jssc.2010.10.004","","","0.71073","MoKα","","0.022","0.0197","","","0.0465","0.0472","","","","","","1.341","","","","has coordinates","266430","2021-06-14","08:46:08",""
"1563810","26.746","0.004","26.746","0.004","20.118","0.004","90","","90","","120","","12463","4","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H38 N P -","- C31 H38 N P -","- C558 H684 N18 P18 -","18","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0776","0.0577","","","0.1695","0.1792","","","","","","0.928","","","","has coordinates","266825","2021-07-01","01:12:19",""
"1564082","33.624","0.003","33.624","0.003","10.496","0.001","90","","90","","120","","10276.7","1.6","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H8 Cu2 N2 O9 P -","- C11 H8 Cu2 N2 O9 P -","- C198 H144 Cu36 N36 O162 P18 -","18","1","","Ye, Qing; Zhang, Li; Shao, Zhou-Li; Zhang, Wei; Li, Chao; Ye, Xiang-Ming","Two Cu(II)-organic frameworks: Effective CO2 fixation and protective activity on the motor function after stroke by increasing neural stem cells differentiation","Inorganica Chimica Acta","2020","512","","119880","","10.1016/j.ica.2020.119880","","","0.71069","MoKα","","0.054","0.0399","","","0.1055","0.1163","","","","","","1.091","","","","has coordinates,has disorder","267424","2021-07-09","08:49:53",""
"1564356","21.8356","0.0001","21.8356","0.0001","27.6959","0.0002","90","","90","","120","","11436.1","0.11","100","0.4","100","0.4","","","","","","","","6","R -3 :H","-R 3","148","","","","- C140 H150 Br18.56 Cl0.44 N6 O36 -","- C140 H150 Br18.55 Cl0.45 N6 O36 -","- C420 H450 Br55.65 Cl1.35 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","x-ray","1.54184","CuKα","","0.0851","0.0848","","","0.1964","0.1965","","","","","","1.178","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564357","21.738","0.003","21.738","0.003","27.712","0.005","90","","90","","120","","11341","3","150.15","","150.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C140 H161 Cl18 I N6 O36 -","- C140 H161 Cl18 I N6 O36 -","- C420 H483.001 Cl54 I3 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","","0.71073","MoKα","","0.1106","0.1032","","","0.2752","0.2797","","","","","","1.113","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564358","21.86","0.0008","21.86","0.0008","27.7568","0.001","90","","90","","120","","11486.8","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C140 H161 Br Cl18 N6 O36 -","- C140 H161 Br Cl18 N6 O36 -","- C420 H483.001 Br3 Cl54 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","x-ray","1.54184","CuKα","","0.1225","0.1013","","","0.2969","0.32","","","","","","1.068","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564359","21.694","0.003","21.694","0.003","27.48","0.004","90","","90","","120","","11200","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C140 H157.96 Cl19 N6 O36 -","- C140 H157.928 Cl19 N6 O36 -","- C420 H473.785 Cl57 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","","0.71073","MoKα","","0.1128","0.1054","","","0.2633","0.267","","","","","","1.155","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564490","61.6062","0.0005","61.6062","0.0005","38.3057","0.0004","90","","90","","120","","125905","2","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","H?CF3SO3","","- C372.49 H342.99 Co8 F48 N72 O68.49 S16 -","- C344.25 H261 Co8 F24.75 N72 O24.75 S8.25 -","- C4131 H3132 Co96 F297 N864 O297 S99 -","12","0.666667","","Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.","Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites","Chemical Science","2021","","","","","10.1039/D1SC04272F","","","0.6889","Synchrotron","","0.1845","0.1208","","","0.3476","0.4006","","","","","","1.306","","","","has coordinates,has disorder","268332","2021-08-31","22:16:42",""
"1564673","48.431","0.0019","48.431","0.0019","10.5838","0.0005","90","","90","","120","","21499","1.6","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H52 B11 Br N2 O -","- C36 H52 B11 Br N2 O -","- C648 H936 B198 Br18 N36 O18 -","18","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.0706","0.0428","","","0.1008","0.1117","","","","","","1.03","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564796","12.4956","0.0003","12.4956","0.0003","9.2644","0.0002","90","","90","","120","","1252.74","0.05","","","298","","","","100","","","","","4","R -3 :H","-R 3","148","Sr3Y(BO3)3","","","- B3 O9 Sr3 Y -","- B3 O9 Sr3.3155 Y0.6869 -","- B18 O54 Sr19.893 Y4.1214 -","6","0.333333","","Simura, R.; Yamane, H.; Sakamura, T.; Sugiyama, K.","In-house-built single-crystal anomalous X-ray diffraction measurement system using white X-rays and an energy dispersive detector","Journal of the Ceramic Society of Japan","2021","129","","594","600","10.2109/jcersj2.21046","","","","","","","","","","","","","","","","","","","","","has coordinates","269514","2021-10-03","23:28:05",""
"1564967","38.1953","0.0009","38.1953","0.0009","10.8879","0.0003","90","","90","","120","","13756.1","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Cu2 N10 O5 -","- C26 H28 Cu2 N10 O5 -","- C468 H504 Cu36 N180 O90 -","18","1","","Jayaweera, Nuwanthaka P.; Hall, Ashley E.; Wilson, Ashton A.; Konkle, Mary E.; Wheeler, Kraig A.; Semeniuc, Radu F.","Tuning the catecholase activity of bis(pyrazolyl)methane-based copper(II) complexes by substitutions of the ligand core: unraveling a dual O2/H2O2 oxidation mechanism","Inorganica Chimica Acta","2020","506","","119507","","10.1016/j.ica.2020.119507","","","1.54178","CuKα","","0.0398","0.0356","","","0.093","0.0954","","","","","","1.047","","","","has coordinates,has disorder","269991","2021-10-18","08:19:25",""
"1564989","30.9611","0.0002","30.9611","0.0002","13.1204","0.0001","90","","90","","120","","10892.1","0.13","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C143 H224 O47 -","- C135 H192 O39 -","- C405 H576 O117 -","3","0.166667","","Alexander, Francesca M.; Fonrouge, Sergio; Borioni, Jose Luis; Del Popolo, Mario G.; Horton, Peter; Coles, Simon; Hutchings, Benjamin; Crawford, Deborah E.; James, Stuart","Noria and its derivatives as hosts for chemically and thermally robust Type II Porous Liquids","Chemical Science","2021","","","","","10.1039/D1SC03367K","","x-ray","0.71075","MoKα","K-L~3~","0.0662","0.0631","","","0.1857","0.189","","","","","","1.033","","","","has coordinates,has disorder","270012","2021-10-18","22:10:11",""
"1565097","21.4648","0.0016","21.4648","0.0016","8.7366","0.0007","90","","90","","120","","3486","0.5","120","2","120","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H21 Br3 -","- C30 H21 Br3 -","- C180 H126 Br18 -","6","0.333333","","Farias, Giliandro; Salla, Cristian A.M.; Murat , Aydemir; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H.","Halogenation of a twisted non-polar π-system as a tool to modulate phosphorescence at room temperature","Chemical Science","2021","","","","","10.1039/D1SC04936D","","","0.71073","MoKα","","0.0214","0.0201","","","0.0471","0.0475","","","","","","1.073","","","","has coordinates","270186","2021-11-01","23:10:31",""
"1565098","21.1589","0.001","21.1589","0.001","8.6542","0.0005","90","","90","","120","","3355.4","0.3","120","2","120","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H21 Cl3 -","- C30 H21 Cl3 -","- C180 H126 Cl18 -","6","0.333333","","Farias, Giliandro; Salla, Cristian A.M.; Murat , Aydemir; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H.","Halogenation of a twisted non-polar π-system as a tool to modulate phosphorescence at room temperature","Chemical Science","2021","","","","","10.1039/D1SC04936D","","","0.71073","MoKα","","0.0296","0.0284","","","0.0766","0.0777","","","","","","1.09","","","","has coordinates","270186","2021-11-01","23:10:32",""
"1566176","18.303","0.016","18.303","0.016","24.5","0.02","90","","90","","120","","7108","11","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H30 N3 O46 P W12 -","- C12 H30 N3 O46 P W12 -","- C72 H180 N18 O276 P6 W72 -","6","0.333333","","Svensson, Fredric G.; Simon, Philipp; Kessler, Vadim G.","Modeling metal oxide nanoparticle GABA interactions: Complexation between the Keggin POM and γ-aminobutyric acid in the solid state and in solution influenced by additional ligands","Inorganica Chimica Acta","2021","526","","120547","","10.1016/j.ica.2021.120547","","","0.71073","MoKα","","0.1305","0.0812","","","0.2178","0.2418","","","","","","1.005","","","","has coordinates","272289","2022-01-27","10:41:57",""
"1566242","39.6442","0.0016","39.6442","0.0016","23.6456","0.0015","90","","90","","120","","32184","3","100.01","0.11","100.01","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C312 H276 Bi38 O164 Ti18 -","- C312 H276 Bi38 O164 Ti18 -","- C936 H828 Bi114 O492 Ti54 -","3","0.166667","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.1275","0.102","","","0.3013","0.3285","","","","","","1.217","","","","has coordinates","272400","2022-02-01","23:11:20",""
"1566319","30.0941","0.0006","30.0941","0.0006","50.6555","0.0011","90","","90","","120","","39730.1","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C156 H210 Ag6 N12 S12 -","- C156 H210 Ag6 N12 S12 -","- C1404 H1890 Ag54 N108 S108 -","9","0.5","","Oladipo, Segun D.; Omondi, Bernard","N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer","Molbank","2022","2022","1","M1327","","10.3390/M1327","","","0.71073","MoKα","","0.0869","0.0409","","","0.0866","0.1009","","","","","","0.935","","","","has coordinates","272804","2022-02-05","17:06:27",""
"1566370","26.1589","0.0015","26.1589","0.0015","148.875","0.012","90","","90","","120","","88225","10","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C432 H471 Ag38 Au43 Cl12 -","- C432 H471 Ag38 Au43 Cl12 -","- C2592 H2826 Ag228 Au258 Cl72 -","6","0.333333","","Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan","Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters","Chemical Science","2022","","","","","10.1039/D1SC07178E","","x-ray","1.34139","GaKα","","0.1317","0.0714","","","0.178","0.216","","","","","","1.014","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1566636","12.91771","0.00016","12.91771","0.00016","6.22087","0.00012","90","","90","","120","","898.99","0.02","","","","","","","","","","","","2","R -3 :H","-R 3","148","ice II","","","- D2 O -","- D2 O -","- D72 O36 -","36","2","","Lobban, C.; Finney, J. L.; Kuhs, W. F.","The p-T dependency of the ice II crystal structure and the effect of helium inclusion","The Journal of Chemical Physics","2002","117","","3928","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273830","2022-03-20","03:05:02",""
"1566782","45.98","0.002","45.98","0.002","9.5196","0.0007","90","","90","","120","","17429.6","1.7","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C188.19 H213.43 N59.05 Ni6 O59.05 -","- C188.184 H213.414 N59.046 Ni6 O59.046 -","- C564.552 H640.242 N177.138 Ni18 O177.138 -","3","0.166667","","Cui, Mengxing; Murase, Ryuichi; Shen, Yongbing; Sato, Tetsu; Koyama, Shohei; Uchida, Kaiji; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki","An electrically conductive metallocycle: densely packed molecular hexagons with π-stacked radicals","Chemical Science","2022","","","","","10.1039/D2SC00447J","","","0.71073","MoKα","","0.2263","0.0992","","","0.2428","0.2908","","","","","","1.028","","","","has coordinates","274455","2022-04-11","22:19:36",""
"1566822","36.5917","0.0005","36.5917","0.0005","17.7385","0.0003","90","","90","","120","","20569","0.5","170","0.1","170","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H47 N S -","- C52 H47 N S -","- C936 H846 N18 S18 -","18","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0443","0.0404","","","0.1079","0.1099","","","","","","1.057","","","","has coordinates","274584","2022-04-19","22:23:11",""
"1566876","20.7704","0.0004","20.7704","0.0004","21.5736","0.0004","90","","90","","120","","8060.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 I O3 S -","- C15 H15 I O3 S -","- C270 H270 I18 O54 S18 -","18","1","","Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu.","Zwitterionic iodonium species afford halogen bond-based porous organic frameworks","Chemical Science","2022","","","","","10.1039/D2SC00892K","","x-ray","1.54184","CuKα","","0.0283","0.0273","","","0.071","0.0718","","","","","","1.058","","","","has coordinates","274722","2022-04-27","22:13:48",""
"1567441","23.28","0.0004","23.28","0.0004","19.9119","0.0004","90","","90","","120","","9345.6","0.3","298","2","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H31 N3 O2 S -","- C20 H31 N3 O2 S -","- C360 H558 N54 O36 S18 -","18","1","","Gonnet, Lori; Borchers, Tristan H.; Lennox, Cameron B.; Vainauskas, Jogirdas; Teoh, Yong; Titi, Hatem M.; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","The ""<i>η</i>-sweet-spot"" (<i>η</i><sub>max</sub>) in liquid-assisted mechanochemistry: polymorph control and the role of a liquid additive as either a catalyst or an inhibitor in resonant acoustic mixing (RAM).","Faraday discussions","2023","241","0","128","149","10.1039/d2fd00131d","","","1.54178","CuKα","","0.0783","0.0483","","","0.1219","0.1595","","","","","","1.137","","","","has coordinates","283358","2023-05-05","02:46:40",""
"1567466","22.2142","0.0014","22.2142","0.0014","12.977","0.002","90","","90","","120","","5545.8","1","123","2","123.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C95 H78 N6 O6 -","- C95.001 H78.0024 N6 O6 -","- C285.003 H234.007 N18 O18 -","3","0.166667","","Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro","N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation","Chemical Science","2022","","","","","10.1039/D2SC02647C","","x-ray","0.71073","MoKα","","0.1804","0.0815","","","0.1882","0.2443","","","","","","0.988","","","","has coordinates,has disorder","277219","2022-08-12","22:14:32",""
"1567550","35.383","0.002","35.383","0.002","5.235","0.0004","90","","90","","120","","5675.9","0.6","193","","193","","","","","","","","","4","R -3 :H","-R 3","148","","4-(Phenylethynyl)indolin-2-one","","- C16 H11 N O -","- C16 H11 N O -","- C288 H198 N18 O18 -","18","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.073","0.0644","","","0.1805","0.1862","","","","","","1.097","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567833","32.848","0.015","32.848","0.015","10.842","0.009","90","","90","","120","","10131","11","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","HX-91","","- C450 H342 N18 O36 -","- C450 H342 N18 O36 -","- C450 H342 N18 O36 -","1","0.0555556","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0767","0.0504","","","0.1233","0.145","","","","","","1.014","","","","has coordinates","280172","2023-01-06","09:36:09",""
"1567843","31.7595","0.0006","31.7595","0.0006","24.6991","0.0006","90","","90","","120","","21575.4","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H24 F6 N4 O2 -","- C22 H24 F6 N4 O2 -","- C792 H864 F216 N144 O72 -","36","2","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.0682","0.0507","","","0.1223","0.1346","","","","","","1.041","","","","has coordinates,has disorder","288645","2024-01-03","15:04:00",""
"1567859","31.6255","0.0007","31.6255","0.0007","12.2942","0.0004","90","","90","","120","","10648.9","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25.22 H23 F6 N4.11 O2 -","- C25.2222 H22 F6 N4.1111 O2 -","- C454 H396 F108 N73.9998 O36 -","18","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","0.71073","MoKα","","0.0516","0.0373","","","0.0809","0.0881","","","","","","1.034","","","","has coordinates","278782","2022-10-25","22:18:32",""
"1568063","15.496","0.0001","15.496","0.0001","53.7557","0.0007","90","","90","","120","","11178.8","0.18","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H104 O24 Ti6 -","- C54.9999 H104 O24 Ti6 -","- C329.999 H623.999 O144 Ti36 -","6","0.333333","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.1274","0.1217","","0.3993","0.3932","0.394","","","","","","1.9014","","","","has coordinates,has disorder","281395","2023-03-04","18:03:45",""
"1568069","11.7156","0.0001","11.7156","0.0001","76.442","0.0006","90","","90","","120","","9086.4","0.13","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H68 F N4 O13.2 S1.6 -","- C54 H67.9998 F N4 O13.1998 S1.5999 -","- C324 H407.999 F6 N24 O79.1988 S9.5994 -","6","0.333333","","Lin, Yannan; Du, Kang; Gau, Michael R.; Dmochowski, Ivan J.","Turn-on fluorescent capsule for selective fluoride detection and water purification.","Chemical science","2023","14","2","291","297","10.1039/d2sc05352g","","x-ray","1.54184","CuKα","","0.0914","0.0881","","","0.2744","0.2794","","","","","","1.05","","","","has coordinates,has disorder","281369","2023-03-04","17:56:03",""
"1568232","21.0773","0.0006","21.0773","0.0006","7.9829","0.0003","90","","90","","120","","3071.29","0.17","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C144 H126 S18 -","3","0.166667","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0378","0.0316","","","0.0867","0.0896","","","","","","1.1","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568512","56.6846","0.0017","56.6846","0.0017","10.2786","0.0003","90","","90","","120","","28601.9","1.5","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C70.5 H94 O6 S U2 -","- C60 H82 O6 S U2 -","- C1080 H1476 O108 S18 U36 -","18","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0592","0.0419","","","0.0972","0.1058","","","","","","1.019","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57",""
"1568652","43.4288","0.0005","43.4288","0.0005","13.10301","0.00016","90","","90","","120","","21402.1","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C954 H1062 I18 N36 O18 P54 Rh18 -","18","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0573","0.0506","","","0.1252","0.1292","","","","","","1.11","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568664","31.90908","0.00014","31.90908","0.00014","37.2706","0.00018","90","","90","","120","","32864.4","0.3","169.99","0.12","169.99","0.12","","","","","","","","3","R -3 :H","-R 3","148","","","","- C73 H57 Cl5 -","- C73 H57 Cl5 -","- C1314 H1026 Cl90 -","18","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0671","0.0643","","","0.1845","0.1871","","","","","","1.049","","","","has coordinates","287329","2023-11-06","07:08:45",""
"1568750","25.6949","0.0011","25.6949","0.0011","41.525","0.003","90","","90","","120","","23743","2","159","2","159","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C324 H204 Ag16 Cl24 O24 P8 -","- C324 H204 Ag15.998 Cl24 O24 P8 -","- C972 H612 Ag47.994 Cl72 O72 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","x-ray","0.71073","MoKα","","0.1147","0.0904","","","0.2081","0.2232","","","","","","0.909","","","","has coordinates,has disorder","284286","2023-06-05","04:39:08",""
"1568751","23.193","0.0003","23.193","0.0003","42.6267","0.0005","90","","90","","120","","19857.6","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","[Ag16(AnCO2)12(Fu3P)8].(OH)2.6H2O","","","- C276 H176 Ag16 O56 P8 -","- C276 H176 Ag16 O56 P8 -","- C828 H528 Ag48 O168 P24 -","3","0.166667","","Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan","Monocarboxylate-protected two-electron <i>superatomic</i> silver nanoclusters with high photothermal conversion performance.","Nanoscale","2023","15","18","8245","8254","10.1039/d3nr00571b","","","1.54178","CuKα","","0.1169","0.0767","","","0.1853","0.2021","","","","","","1.051","","","","has coordinates,has disorder","284286","2023-06-05","04:39:09",""
"1568882","29.6286","0.0006","29.6286","0.0006","7.6747","0.0003","90","","90","","120","","5834.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C306 H234 N18 O54 -","18","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.0799","0.0668","","","0.2022","0.2181","","","","","","1.063","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1569093","37.6353","0.001","37.6353","0.001","11.4038","0.0003","90","","90","","120","","13988.5","0.6","150","0.1","150","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H44 Cl2 N14 O10 Ru2 S2 -","- C60 H44 Cl2 N14 O10 Ru2 S2 -","- C540 H396 Cl18 N126 O90 Ru18 S18 -","9","0.5","","","","","","","","","","10.1039/D3DT00929G","","x-ray","0.71073","MoKα","","0.0711","0.0507","","","0.1307","0.1456","","","","","","1.033","","","","has coordinates","283665","2023-05-10","22:47:41",""
"1569177","25.399","0.002","25.399","0.002","30.418","0.002","90","","90","","120","","16994","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triethylenediamin-1-ium) dodeca-μ~2~-chlorido-hexakis(thiocyanato-κ<i>N</i>)hexa-<i>octahedro</i>-niobate","","- C30 H52 Cl12 N14 Nb6 S6 -","- C30 H52 Cl12 N14 Nb6 S6 -","- C360 H624 Cl144 N168 Nb72 S72 -","12","0.666667","WM4186","Sperlich, Eric; Köckerling, Martin","Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate","IUCrData","2023","8","5","","","10.1107/S241431462300398X","","","0.71073","MoKα","","0.0504","0.0396","","","0.0842","0.0932","","","","","","1.087","","","","has coordinates,has disorder","283746","2023-05-13","01:45:58",""
"1569310","20.9301","0.0008","20.9301","0.0008","37.6852","0.0017","90","","90","","120","","14297","1","219.9","0.2","219.9","0.2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C501 H339 Cl45 Mg9 N54 Sb6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0968","0.0583","","","0.1567","0.1727","","","","","","0.975","","","","has coordinates","284567","2023-06-29","09:16:22",""
"1569311","20.9744","0.0006","20.9744","0.0006","37.5959","0.0013","90","","90","","120","","14323.5","0.8","219.9","0.4","219.9","0.4","","","","","","","","6","R -3 :H","-R 3","148","","","","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C492 H330 Bi6 Cl18 Mg9 N54 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.045","0.0338","","","0.0799","0.0837","","","","","","1.006","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569319","20.6368","0.0012","20.6368","0.0012","37.744","0.002","90","","90","","120","","13920.8","1.4","219.9","0.6","219.9","0.6","","","","","","","","5","R -3 :H","-R 3","148","","","","- C162 H108 Mg3 N18 P2 -","- C162 H108 Mg3 N18 P2 -","- C486 H324 Mg9 N54 P6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1173","0.0684","","","0.1786","0.2074","","","","","","0.948","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569593","17.67","0.0018","17.67","0.0018","29.511","0.006","90","","90","","120","","7980","2","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H72 Ge4 Si10 -","- C24 H72 Ge4 Si10 -","- C144 H432 Ge24 Si60 -","6","0.333333","","Kühn, Steffen; Köstler, Benedikt; True, Celine; Albers, Lena; Wagner, Matthias; Müller, Thomas; Marschner, Christoph","Selective synthesis of germasila-adamantanes through germanium-silicon shift processes.","Chemical science","2023","14","33","8956","8961","10.1039/d3sc03301e","","","0.71073","MoKα","","0.0544","0.0533","","","0.1098","0.1105","","","","","","0.9974","","","","has coordinates","286049","2023-09-05","19:12:10",""
"1569861","24.1539","0.0005","24.1539","0.0005","20.9231","0.0009","90","","90","","120","","10571.4","0.6","273.15","","273.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C114 H120 Ag12 F18 N18 O24 S6 -","- C114 H120 Ag12 F18 N18 O24 S6 -","- C342 H360 Ag36 F54 N54 O72 S18 -","3","0.166667","","Nakatani, Riki; Biswas, Sourav; Irie, Tsukasa; Sakai, Jin; Hirayama, Daisuke; Kawawaki, Tokuhisa; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi","A new two-dimensional luminescent Ag<sub>12</sub> cluster-assembled material and its catalytic activity for reduction of hexacyanoferrate(III).","Nanoscale","2023","15","40","16299","16306","10.1039/d3nr03343k","","","0.71073","MoKα","","0.0441","0.0357","","","0.0888","0.0962","","","","","","1.042","","","","has coordinates,has disorder","287363","2023-11-06","07:49:34",""
"1569910","18.0704","0.0006","18.0704","0.0006","16.2498","0.0007","90","","90","","120","","4595.3","0.3","170","","170","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C234 H162 N18 -","6","0.333333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","0.71073","MoKα","","0.0575","0.0469","","","0.1229","0.1302","","","","","","1.058","","","","has coordinates","288812","2024-01-06","08:18:04",""
"1569944","30.373","0.003","30.373","0.003","77.172","0.013","90","","90","","120","","61655","13","200","2","200","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C517 H643 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C517 H486 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C1551 H1458 Au36 B36 Cl36 F144 N189 O84 Pd18 -","3","0.166667","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.1278","0.0991","","","0.3268","0.362","","","","","","1.047","","","","has coordinates,has disorder","287303","2023-11-06","06:48:53",""
"1570019","17.321","0.003","17.321","0.003","25.467","0.005","90","","90","","120","","6617","2","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","Gandelman452b (Kuldeep)","","","- C78 H90 I8 Li8 N18 -","- C78 H90 I8 Li8 N18 -","- C234 H270 I24 Li24 N54 -","3","0.166667","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.0741","0.0387","","","0.0616","0.0685","","","","","","0.875","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570392","32.27","0.002","32.27","0.002","11.323","0.0008","90","","90","","120","","10211.5","1.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","dibromomethyl)triphenylphosphonium bromide nitromethane solvate","","- C20 H19 Br3 N O2 P -","- C20 H19 Br3 N O2 P -","- C360 H342 Br54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0308","0.0278","","","0.0647","0.0674","","","","","","1.042","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570393","33.1499","0.0005","33.1499","0.0005","11.1629","0.0002","90","","90","","120","","10623.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetonitrile solvate","","- C21 H19 Br3 N P -","- C21 H19 Br3 N P -","- C378 H342 Br54 N18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0407","0.0372","","","0.0977","0.1014","","","","","","1.064","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570394","32.4936","0.0008","32.4936","0.0008","11.3322","0.0008","90","","90","","120","","10361.9","0.8","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetic acid solvate","","- C21 H20 Br3 O2 P -","- C21 H20 Br3 O2 P -","- C378 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0352","0.0333","","","0.0841","0.0859","","","","","","1.055","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570395","33.4263","0.0004","33.4263","0.0004","11.2099","0.0002","90","","90","","120","","10847","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 2-butanone solvate","","- C23 H24 Br3 O P -","- C23 H24 Br3 O P -","- C414 H432 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0317","0.0291","","","0.07","0.0723","","","","","","1.077","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570396","32.283","0.002","32.283","0.002","11.5522","0.0008","90","","90","","120","","10426.6","1.2","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide prop-2-enoic acid","","- C22 H20 Br3 O2 P -","- C22 H20 Br3 O2 P -","- C396 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0457","0.0411","","","0.0957","0.0994","","","","","","1.054","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570397","33.612","0.002","33.612","0.002","11.4292","0.0007","90","","90","","120","","11182.4","1.2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide N-Methylpyrrolidone solvate","","- C24 H25 Br3 N O P -","- C24 H25 Br3 N O P -","- C432 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0741","0.0419","","","0.1021","0.1365","","","","","","1.086","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570398","33.4643","0.0005","33.4643","0.0005","11.1613","0.0002","90","","90","","120","","10824.5","0.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylsulfoxide solvate","","- C21 H22 Br3 O P S -","- C21 H22 Br3 O P S -","- C378 H396 Br54 O18 P18 S18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0412","0.0393","","","0.1037","0.1059","","","","","","1.065","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570399","33.1823","0.0009","33.1823","0.0009","11.4506","0.0003","90","","90","","120","","10918.7","0.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylformamide solvate","","- C22 H23 Br3 N O P -","- C22 H23 Br3 N O P -","- C396 H414 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0553","0.0445","","","0.1179","0.1319","","","","","","1.056","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570400","33.0726","0.0018","33.0726","0.0018","11.369","0.0006","90","","90","","120","","10769.4","1","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylacetamide solvate","","- C23 H25 Br3 N O P -","- C23 H25 Br3 N O P -","- C414 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0309","0.0295","","","0.0693","0.0701","","","","","","1.067","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570401","33.144","0.0005","33.144","0.0005","11.465","0.0002","90","","90","","120","","10907.2","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-isobutylaldehyde","","- C22 H22 Br3 O0.75 P -","- C22 H22 Br3 O0.75 P -","- C396 H396 Br54 O13.5 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.042","0.037","","","0.0891","0.0945","","","","","","1.046","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570402","33.0003","0.0006","33.0003","0.0006","11.135","0.0002","90","","90","","120","","10501.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide acetone solvate","","- C22 H22 Br3 O P -","- C22 H22 Br3 O P -","- C396 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0357","0.0291","","","0.0655","0.0711","","","","","","1.083","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570403","32.9862","0.0015","32.9862","0.0015","12.0449","0.0008","90","","90","","120","","11350.1","1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(diiodomethyl)(triphenyl)phosphanium iodide nitromethane solvate","","- C20 H19 I3 N O2 P -","- C20 H19 I3 N O2 P -","- C360 H342 I54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0976","0.0599","","","0.152","0.1826","","","","","","1.047","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570404","32.8602","0.0012","32.8602","0.0012","11.266","0.0004","90","","90","","120","","10535.2","0.7","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-proprionaldehyde","","- C42 H41 Br6 O P2 -","- C42 H41 Br6 O P2 -","- C378 H369 Br54 O9 P18 -","9","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0662","0.0554","","","0.1595","0.1764","","","","","","1.029","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570405","32.8339","0.0005","32.8339","0.0005","11.1368","0.0002","90","","90","","120","","10397.7","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetaldehyde","","- C21 H20 Br3 O P -","- C21 H20 Br3 O P -","- C378 H360 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0382","0.0313","","","0.0907","0.098","","","","","","1.046","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570408","33.2157","0.0004","33.2157","0.0004","11.3174","0.0002","90","","90","","120","","10813.4","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide cyclobutanone","","- C23 H22 Br3 O P -","- C23 H22 Br3 O P -","- C414 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0356","0.0316","","","0.0999","0.1052","","","","","","1.053","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570485","19.8087","0.0001","19.8087","0.0001","28.7268","0.0002","90","","90","","120","","9761.8","0.1","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H90 Fe6 In13 N12 O42 -","- C96 H90 Fe6 In13 N12 O42 -","- C288 H270 Fe18 In39 N36 O126 -","3","0.166667","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0676","0.0628","","","0.1894","0.1921","","","","","","1.117","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570489","16.1506","0.0001","16.1506","0.0001","65.6859","0.0003","90","","90","","120","","14838.2","0.15","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C95 H66 Cl3 Fe6 In7 O28 P -","- C95 H65.9997 Cl3 Fe6 In7 O28 P -","- C570 H395.998 Cl18 Fe36 In42 O168 P6 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0259","0.0241","","","0.0693","0.0701","","","","","","1.062","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570491","25.3175","0.0003","25.3175","0.0003","29.8382","0.0004","90","","90","","120","","16563.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C88 H84 Fe6 In7 N6 O28 -","- C88 H83.3637 Fe6 In7 N6 O28 -","- C528 H500.182 Fe36 In42 N36 O168 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0472","0.045","","","0.1279","0.1297","","","","","","1.044","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570495","20.0889","0.0006","20.0889","0.0006","57.4977","0.0009","90","","90","","120","","20095.3","0.9","100.01","0.1","100.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C219 H468 Cl48 Cu72 Gd18 N108 O453 -","3","0.166667","","Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.","Chemical science","2024","15","2","511","515","10.1039/d3sc05849b","","x-ray","1.54184","CuKα","","0.1122","0.092","","","0.2772","0.3022","","","","","","1.083","","","","has coordinates,has disorder","289421","2024-02-04","11:32:16",""
"1570610","16.3155","0.0003","16.3155","0.0003","29.6131","0.0005","90","","90","","120","","6826.8","0.2","200","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.0559","0.0495","","","0.1393","0.1438","","","","","","1.064","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570611","16.3057","0.0004","16.3057","0.0004","29.6423","0.0007","90","","90","","120","","6825.3","0.3","199.99","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.1011","0.0856","","","0.2487","0.2612","","","","","","1.052","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570612","16.3356","0.0008","16.3356","0.0008","29.4449","0.0014","90","","90","","120","","6804.7","0.6","200","0.1","200.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C70.29 H102.87 Ag14 Cl -","- C210.87 H308.61 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","0.71073","MoKα","","0.0701","0.0439","","","0.1284","0.1395","","","","","","1.043","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570613","16.1523","0.0006","16.1523","0.0006","29.3979","0.0016","90","","90","","120","","6642.3","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Ag14 II Ga 100K","","- C75 H118 Ag14 Cl O -","- C75 H118 Ag14 Cl O -","- C225 H354.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0768","0.0662","","","0.1881","0.198","","","","","","1.049","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570614","16.541","0.0009","16.541","0.0009","29.8249","0.0019","90","","90","","120","","7067","0.7","200.01","0.1","200.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Ag14 B Cl F4 -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","x-ray","0.71073","MoKα","","0.0698","0.0466","","","0.1364","0.148","","","","","","1.06","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570615","16.438","0.003","16.438","0.003","29.9","0.007","90","","90","","120","","6997","2","302","","302","","","","","","","","","5","R -3 :H","-R 3","148","","AG14 II Ga 300K","","- C72 H109 Ag14 Cl O -","- C72 H109 Ag14 Cl O -","- C216 H327.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0779","0.0671","","","0.1921","0.2031","","","","","","1.071","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570616","21.8992","0.0008","21.8992","0.0008","15.485","0.0008","90","","90","","120","","6431.3","0.5","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 F O -","- C72 H108 Ag14 F -","- C216 H324 Ag42 F3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0745","0.0501","","","0.132","0.1446","","","","","","1.07","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570617","21.8873","0.0007","21.8873","0.0007","15.5998","0.0008","90","","90","","120","","6471.9","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.1041","0.0969","","","0.2236","0.2266","","","","","","1.192","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570618","21.96","0.0006","21.96","0.0006","15.4656","0.0007","90","","90","","120","","6459","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Br O -","- C72 H108 Ag14 Br -","- C216 H324 Ag42 Br3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0674","0.0496","","","0.1435","0.1528","","","","","","1.075","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1571175","51.7208","0.0003","51.7208","0.0003","23.7243","0.0002","90","","90","","120","","54961","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C101 H132 Cu4 N4 O13 -","- C101 H132 Cu4 N4 O13 -","- C1818 H2376 Cu72 N72 O234 -","18","1","","Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl","Reversible dioxygen uptake at [Cu4] clusters","Chemical Science","2024","15","14","5327","5332","10.1039/D3SC06390A","","x-ray","1.54184","CuKα","","0.1243","0.1012","","","0.3104","0.3408","","","","","","1.326","","","","has coordinates,has disorder","290834","2024-04-04","22:41:10",""
"1571197","24.4855","0.0004","24.4855","0.0004","11.1476","0.0002","90","","90","","120","","5788.02","0.17","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","Compound_26","Compound_26","","- C14 H14 N2 O P -","- C14 H14 N2 O P -","- C252 H252 N36 O18 P18 -","18","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0445","0.0421","","","0.1208","0.1229","","","","","","1.102","","","","has coordinates","291567","2024-05-05","01:39:17",""
"2000022","17.481","0.003","17.481","0.003","19.935","0.004","90","","90","","120","","5275.69","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H102 P6 S8 W6 -","- C240 H504 P36 S40 W36 -","- C720 H1512 P108 S120 W108 -","3","0.166667","","Venkataraman, D.; Rayburn, Lori L.; Hill, Laurie I.; Jin, Song; Malik, Abds-Sami; Turneau, Kevin J.; DiSalvo, Francis J.","An Improved High Yield Synthesis Procedure and Reactivity of W~6~S~8~(4-tert-butylpyridine)~6~","Inorganic Chemistry","1999","38","4","828","830","10.1021/ic980967s","","","","","","","0.0402","","","0.0402","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000029","20.208","0.003","20.208","0.003","20.843","0.003","90","","90","","120","","7371.19","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C90 H114 N6 S8 W6 -","- C144 H204 N6 S8 W6 -","- C432 H612 N18 S24 W18 -","3","0.166667","","Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.","Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes","Inorganic Chemistry","1995","34","17","4454","4459","10.1021/ic00121a025","","","","","","","0.0413","","","0.0413","","","","","","","","","","","has coordinates","199802","2020-10-21","18:00:00",""
"2000031","13.9117","0.0001","13.9117","0.0001","32.4106","0.0002","90","","90","","120","","5432.23","","","","163","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C44 H106 F6 O2 P7 S8 W6 -","- C288 H624 F46 O18 P37 S40 W36 -","- C864 H1872 F138 O54 P111 S120 W108 -","3","0.166667","","Hill, L. I.; Jin, Song; Zhou, Ran; Venkataraman, D.; DiSalvo, F. J.","Synthesis and Characterization of Oxidized W~6~S~8~L~6~ Clusters","Inorganic Chemistry","2001","40","12","2660","2665","10.1021/ic001099d","","","","","","","0.0451","","","0.0451","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000246","5.0148","0.0005","5.0148","0.0005","14.324","0.001","90","","90","","120","","360.22","0.06","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mn O3 -","- Ge Mn O3 -","- Ge6 Mn6 O18 -","6","0.333333","LI0067","Ross, N. L.; Reynard, B.; Guyot, F.","Structure of high-pressure MnGeO~3~ ilmenite","Acta Crystallographica Section C","1991","47","9","1794","1796","10.1107/S0108270191003153","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","281832","2023-03-13","07:36:37",""
"2000618","12.8896","0.0005","12.8896","0.0005","19.1855","0.0007","90","","90","","120","","2760.47","0.18","","","","","","","","","","","","4","R -3 :H","-R 3","148","","tris(phenylseleno)phosphine","","- C18 H15 P Se3 -","- C18 H15 P Se3 -","- C108 H90 P6 Se18 -","6","0.333333","HH0566","Keder, N. L.; Shibao, R. K.; Eckert, H.","Structure of tris(phenylseleno)phosphine","Acta Crystallographica Section C","1992","48","9","1670","1671","10.1107/S010827019101497X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000695","14.586","0.0008","14.586","0.0008","52.351","0.004","90","","90","","120","","9645.6","1.1","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Au Cl O4 Sb4 -","- C72 H60 Au Cl O6 Sb4 -","- C432 H360 Au6 Cl6 O36 Sb24 -","6","0.333333","HA0090","Jones, P. G.","Tetrakis(triphenylstibine)gold(I) perchlorate","Acta Crystallographica Section C","1992","48","8","1487","1488","10.1107/S0108270192000246","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199739","2020-10-21","18:00:00",""
"2000765","19.307","0.003","19.307","0.003","26.735","0.004","90","","90","","120","","8631","2","","","","","","","","","","","","3","R -3 :H","-R 3","","","","","- C19 H16 O -","- C38 H30 O2 -","- C912 H720 O48 -","24","1.33333","MU0292","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Low, J. N.; Scrimgeour, S. N.","The structure of triphenylmethanol, Ph~3~COH","Acta Crystallographica Section C","1992","48","7","1272","1275","10.1107/S0108270191015044","","","0.71073","Mo","","","","","","","","","","","","","","","","warnings","has coordinates","249444","2020-10-21","18:00:00",""
"2001841","6.064","0.001","6.064","0.001","22.904","0.005","90","","90","","120","","729.4","0.2","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- H13 N3 O8 Se2 -","- H13 N3 O8 Se2 -","- H39 N9 O24 Se6 -","3","0.166667","NA0025","Łukaszewicz, K.; Pietraszko, A.; Augustyniak, M. A.","Structure of (NH~4~)~3~H(SeO~4~)~2~ in high-temperature phases I and II","Acta Crystallographica Section C","1993","49","3","430","433","10.1107/S010827019200739X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206338","2020-10-21","18:00:00",""
"2002114","5.0375","","5.0375","","22.33","","90","","90","","120","","490.7","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Barium dinickel(II) divanadate(V)","","- Ba Ni2 O8 V2 -","- Ba Ni2 O8 V2 -","- Ba3 Ni6 O24 V6 -","3","0.166667","","Wichmann, R; Muller-Buschbaum, H","Zur Kenntnis von Ba Ni~2~ V~2~ O~8~","Revue de Chimie Minerale","1984","21","","824","829","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002142","8.8262","0.0008","8.8262","0.0008","10.687","0.002","90","","90","","120","","721","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Copper manganese tellurate (0.21/2.79/1)","","- Cu0.21 Mn2.79 O6 Te -","- Cu0.21 Mn2.79 O6 Te -","- Cu1.26 Mn16.74 O36 Te6 -","6","0.333333","","Wulff, L; Wedel, B; Mueller-Buschbaum, Hk","Zur Kristallchemie von Telluraten mit Mn2+ im kationischen und anionischen Teil der Kristallstruktur: (Mn2.4 Cu0.6) Te O6, Ba2 Mn Te O6 und Pb (Mn0.5 Te0.5) O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","49","52","","","","","","","0.0349","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002341","5.67","0.001","5.67","0.001","48.364","0.013","90","","90","","120","","1346.5","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Heptastrontium diniobium(IV) tetraniobium oxide","","- Nb6 O21 Sr7 -","- Nb6 O21 Sr7 -","- Nb18 O63 Sr21 -","3","0.166667","","Schueckel, K; Mueller-Buschbaum, Hk","Ein neues gemischtvalentes Oxoniobat: Sr7 (Nb4+)2 (Nb5+)4 O21 = Sr1.167 Nb O3.5.","Zeitschrift fuer Anorganische und Allgemeine Chemie","1985","523","","69","75","10.1002/zaac.19855230410","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002703","8.8931","0.0018","8.8931","0.0018","10.4782","0.0019","90","","90","","120","","717.7","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Trimanganese tungstate","","- Mn3 O6 W -","- Mn3 O6 W -","- Mn18 O36 W6 -","6","0.333333","","Kluever, E; Mueller-Buschbaum, Hk","Ein neues Mangan(II)-Oxowolframat: Mn3 W O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","733","736","10.1002/zaac.19946200425","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002804","11.133","0.003","11.133","","35.46399","0.018","90","","90","","120","","3806.6","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Bis(trichlorotellurium) hexachlororhenate(IV)","","- Cl12 Re Te2 -","- Cl12 Re Te2 -","- Cl108 Re9 Te18 -","9","0.5","","Beck, J; Biedenkopf, P; Mueller-Buschbaum, K","Synthese und Kristallstruktur von (Te Cl3)2 Mo Cl6 und beta-(Te Cl3)2 Re Cl6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","727","732","","","","","","","0.0344","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002805","11.1692","0.001","11.1692","0.001","35.39499","0.005","90","","90","","120","","3824","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Bis(trichlorotellurium) hexachloromolybdate(IV) - β","","- Cl12 Mo Te2 -","- Cl12 Mo Te2 -","- Cl108 Mo9 Te18 -","9","0.5","","Beck, J.; Biedenkopf, P.; Müller-Buschbaum, K.","Synthese und Kristallstruktur von (TeCl~3~)~2~MoCl~6~ und β-(TeCl~3~)~2~ReCl~6~ / Synthesis and Crystal Structure of (TeCl~3~)~2~MoCl~6~ and β-(TeCl~3~)~2~ReCl~6~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1996","51","5","727","732","10.1515/znb-1996-0518","","","","","","0.0581","","","","","","","","","","","","","","","has coordinates","200085","2020-10-21","18:00:00",""
"2002868","4.9792","0.0006","4.9792","0.0006","23.1601","0.0049","90","","90","","120","","497.3","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Barium nickel arsenate vanadate (1/2/1.33/.67)","","- As1.33 Ba Ni2 O8 V0.67 -","- As1.34 Ba Ni2 O8 V0.66 -","- As4.02 Ba3 Ni6 O24 V1.98 -","3","0.166667","","Mueller-Buschbaum, Hk; Scheske, St","Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62)","Journal of the Less-Common Metals","1991","171","","313","320","10.1016/0022-5088(91)90153-U","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002869","4.8924","0.0006","4.8924","0.0006","22.89499","0.0057","90","","90","","120","","474.6","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Barium nickel phosphate vanadate (1/2/1.36/.64)","","- Ba Ni2 O8 P1.36 V0.64 -","- Ba Ni2 O8 P1.36 V0.64 -","- Ba3 Ni6 O24 P4.08 V1.92 -","3","0.166667","","Mueller-Buschbaum, Hk; Scheske, St","Oxometallate mit partiell salzartigem Anion: Die Kristallchemie von Ba Ni2 (M O4)(2-x) (V O4)x (M= As (x=0.67) und P (x=0.64)) und Sr Ni2 (As O4)(2-x) (V O4)x (x=0.62)","Journal of the Less-Common Metals","1991","171","","313","320","10.1016/0022-5088(91)90153-U","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003120","7.348","0.001","7.348","0.001","7.274","0.008","90","","90","","120","","340.1","0.4","291","","291","","","","","","","","","3","R -3 :H","-R 3","148","","potassium hexafluoroarsenate","","- As F6 K -","- As F6 K -","- As3 F18 K3 -","3","0.166667","SH0109","Peterková, J.; Dusek, M.; Petrícek, V.; Loub, J.","Structures of Fluoroarsenates KAsF~6<i>n~</i>(OH)~<i>n~</i>, <i>n</i> = 0, 1, 2: Application of the Heavy-Atom Method for Modulated Structures","Acta Crystallographica Section B","1998","54","6","809","818","10.1107/S0108768198006351","","","0.5609","AgKα","","0.024","0.024","","0.031","0.031","","","","","1.82","1.82","","","","","has coordinates","198391","2020-10-21","18:00:00",""
"2003151","7.025","0.001","7.025","0.001","26.988","0.012","90","","90","","120","","1153.4","0.6","92","2","92","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Cl4 Co H22 N7 O8 -","- Cl4 Co H22 N7 O8 -","- Cl12 Co3 H66 N21 O24 -","3","0.166667","TA0002","Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.","Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~","Acta Crystallographica Section B","1998","54","5","613","625","10.1107/S0108768198002328","","","0.71073","MoKα","","0.0191","0.0187","","","","0.0533","","","","","","1.206","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003157","7.104","0.001","7.104","0.001","27.408","0.007","90","","90","","120","","1197.9","0.4","92","2","92","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cl4 H18 N6 O8 Rb Ru -","- Cl4 H18 N6 O8 Rb Ru -","- Cl12 H54 N18 O24 Rb3 Ru3 -","3","0.166667","TA0002","Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.","Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~","Acta Crystallographica Section B","1998","54","5","613","625","10.1107/S0108768198002328","","","0.71073","MoKα","","0.0271","0.0245","","","","0.0592","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003158","7.09","0.001","7.09","0.001","27.351","0.005","90","","90","","120","","1190.7","0.3","9.5","0.3","10","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cl4 H18 N6 O8 Rb Ru -","- Cl4 H18 N6 O8 Rb Ru -","- Cl12 H54 N18 O24 Rb3 Ru3 -","3","0.166667","TA0002","Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.","Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~","Acta Crystallographica Section B","1998","54","5","613","625","10.1107/S0108768198002328","","","0.71073","MoKα","","0.0268","0.0198","","","","0.0511","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003160","7.29","0.001","7.29","0.001","27.282","0.006","90","","90","","120","","1255.6","0.4","92","2","92","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cl4 Cs H18 N6 O8 Ru -","- Cl4 Cs H18 N6 O8 Ru -","- Cl12 Cs3 H54 N18 O24 Ru3 -","3","0.166667","TA0002","Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.","Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~","Acta Crystallographica Section B","1998","54","5","613","625","10.1107/S0108768198002328","","","0.71073","MoKα","","0.0117","0.0114","","","","0.0299","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003162","7.294","0.001","7.294","0.001","27.311","0.006","90","","90","","120","","1258.3","0.4","10","2","10","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cl4 Cr Cs H18 N6 O8 -","- Cl4 Cr Cs H18 N6 O8 -","- Cl12 Cr3 Cs3 H54 N18 O24 -","3","0.166667","TA0002","Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.","Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~","Acta Crystallographica Section B","1998","54","5","613","625","10.1107/S0108768198002328","","","0.71073","MoKα","","0.016","0.0146","","","","0.0436","","","","","","1.112","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003164","7.369","0.001","7.369","0.001","27.578","0.005","90","","90","","120","","1296.9","0.3","10","2","10","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- Br2 Cl2 Cr Cs H18 N6 O8 -","- Br2 Cl2 Cr Cs H18 N6 O8 -","- Br6 Cl6 Cr3 Cs3 H54 N18 O24 -","3","0.166667","TA0002","Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.","Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~","Acta Crystallographica Section B","1998","54","5","613","625","10.1107/S0108768198002328","","","0.71073","MoKα","","0.0098","0.0098","","","","0.024","","","","","","1.156","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003635","20.828","0.003","20.828","0.003","7.832","0.002","90","","90","","120","","2942.4","1","293","","","","","","","","","","see text","3","R -3 :H","-R 3","148","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","AS1151","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.0408","","","0.057","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003855","12.353","0.002","12.353","0.002","12.931","0.002","90","","90","","120","","1708.9","0.5","291","2","291","2","","","","","","","","3","R -3 :H","-R 3","148","octachlorosilasesquioxane","","","- Cl8 O12 Si8 -","- Cl8 O12 Si8 -","- Cl24 O36 Si24 -","3","0.166667","AB1255","Törnroos, K. W.; Calzaferri, G.; Imhof, R.","Octachlorosilasesquioxane, Cl~8~Si~8~O~12~","Acta Crystallographica Section C","1995","51","9","1732","1735","10.1107/S0108270195004410","","","0.71073","MoKα","","0.2354","0.0459","","0.1246","0.07","","","","1.041","1.184","1.184","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003910","13.622","0.001","13.622","0.001","36.47","0.002","90","","90","","120","","5860.7","0.7","211","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H63 Au3 B F4 O P3 -","- C27 H63 Au3 B0.5 F4 O P3 -","- C162 H378 Au18 B3 F24 O6 P18 -","6","0.333333","JZ1042","Angermaier, K.; Schmidbaur, H.","μ~3~-Oxo-tris[(triisopropylphosphine)gold(I)] Tetrafluoroborate","Acta Crystallographica Section C","1995","51","9","1793","1795","10.1107/S0108270195003787","","","0.71073","MoKα","","","0.0309","","","0.0344","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003999","19.244","0.007","19.244","0.007","9.651","0.002","90","","90","","120","","3095.2","1.7","293","1","293","1","","","","","","","Synthesised by Gleiter et al, 1984","4","R -3 :H","-R 3","148","3,7-bis(tert-Butyl)-1,5,2,4,6,8-dithiatetrazocine","","","- C10 H18 N4 S2 -","- C10 H18 N4 S2 -","- C90 H162 N36 S18 -","9","0.5","FG1068","Parvez, M.; Boeré, R. T.; Derrick, S.; Moock, K. H.","3,7-Di-<i>tert</i>-butyl-1,5,2,4,6,8-dithiatetrazocine","Acta Crystallographica Section C","1995","51","10","2116","2118","10.1107/S010827019500521X","","","0.71069","MoKα","","0.0711","0.0384","","0.1339","0.1141","","","","0.952","0.984","0.984","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004090","11.518","0.001","11.518","0.001","19.966","0.004","90","","90","","120","","2293.9","0.5","294","","21","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Fe N3 O15 S6 -","- C12 H36 Fe N3 O18 S6 -","- C36 H108 Fe3 N9 O54 S18 -","3","0.166667","BK1054","Tzou, J.-R.; Mullaney, M.; Norman, R. E.; Chang, S.-C.","Hexakis(dimethyl sulfoxide-<i>O</i>)iron(III) Trinitrate","Acta Crystallographica Section C","1995","51","11","2249","2252","10.1107/S0108270195005695","","","0.7107","MoKα","","","0.0435","","","0.054","","","","","5.165","5.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004162","24.4935","0.0004","24.4935","0.0004","19.1219","0.0006","90","","90","","120","","9934.9","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","chlorotriphenyltin","chlorotriphenyltin","","- C18 H15 Cl Sn -","- C18 H15 Cl Sn -","- C432 H360 Cl24 Sn24 -","24","1.33333","MU1190","Ng, S. W.","Rhombohedral Chlorotriphenyltin","Acta Crystallographica Section C","1995","51","11","2292","2293","10.1107/S0108270195006998","","","0.71073","MoKα","","0.0546","0.0344","","0.0871","0.0766","","","","1.088","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004548","14.109","0.001","14.109","0.001","26.697","0.005","90","","90","","120","","4602.4","1","293","1","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H45 N5 O3 -","- C33 H45 N5 O3 -","- C198 H270 N30 O18 -","6","0.333333","TA1031","de Bruyn, P. J.; Gable, R. W.; Potter, A. C.; Solomon, D. H.","1:1 Adduct of Tris(4-hydroxy-3,5-dimethylbenzyl)amine and Hexamethylenetetramine","Acta Crystallographica Section C","1996","52","2","466","468","10.1107/S0108270195011127","","","0.71073","MoKα","","0.0468","0.0353","","0.0974","0.0916","","","","1.036","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004943","18.629","0.002","18.629","0.002","29.863","0.005","90","","90","","120","","8975","2","150","0.2","150","0.2","","","","","","","","7","R -3 :H","-R 3","148","","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane)ruthenium(II) bis(hexafluorophosphate) dihydrate methanol solvate","","- C37 H80 F12 O15 P2 Ru S6 -","- C36.99 H79.94 F12 O14.98 P2 Ru S6 -","- C221.94 H479.64 F72 O89.88 P12 Ru6 S36 -","6","0.333333","AB1354","Blake, A. J.; Radek, C.; Schröder, M.","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-<i>S</i>,<i>S</i>')ruthenium(II) Bis(hexafluorophosphate)‒Water‒Methanol (1/2/1)","Acta Crystallographica Section C","1996","52","6","1401","1403","10.1107/S0108270196001497","","","0.71073","MoKα","","0.0453","0.0361","","0.1275","0.1002","","","","1.039","1.052","1.052","","","","","has coordinates","191017","2020-10-21","18:00:00",""
"2005846","16.088","0.002","16.088","0.002","5.197","0.001","90","","90","","120","","1164.9","0.3","120","1","120","1","","","","","","","","3","R -3 :H","-R 3","148","","hexakis[mercaptomethyl]benzene","","- C12 H18 S6 -","- C12 H18 S6 -","- C36 H54 S18 -","3","0.166667","BM1105","Mallinson, P. R.; MacNicol, D. D.; McCormack, K. L.; Yufit, D. S.; Gall, J. H.; Henderson, R. K.","Hexakis(mercaptomethyl)benzene: a Structure Possessing Well Ordered Homodromic [SH···S]~6~ Interactions","Acta Crystallographica Section C","1997","53","1","90","92","10.1107/S0108270196010499","","","0.71073","MoKα","","0.1663","0.0554","","0.123","0.104","","","","0.847","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006321","26.162","0.007","26.162","0.007","13.633","0.005","90","","90","","120","","8081","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","tetrakis(μ-benzoato-O:O')-bis(urea-O')dicopper(II),","","- C30 H28 Cu2 N4 O10 -","- C30 H28 Cu2 N4 O10 -","- C270 H252 Cu18 N36 O90 -","9","0.5","MU1294","Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)","Acta Crystallographica Section C","1997","53","7","854","856","10.1107/S0108270197003387","","","0.71073","MoKα","","0.1588","0.0621","","0.2588","0.1985","","","","0.99","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006864","14.02","0.002","14.02","0.002","33.005","0.005","90","","90","","120","","5618.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","tris[1-(2-phenyl-2-oxoethyl)pyridone-2] hydroxonium tetrafluoroborate complex","","- C39 H36 B F4 N3 O7 -","- C39 H36 B F4 N3 O7 -","- C234 H216 B6 F24 N18 O42 -","6","0.333333","NA1311","Zhukov, S. G.; Rybakov, V. B.; Babaev, E. V.; Paseshnichenko, K. A.; Schenk, H.","Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex","Acta Crystallographica Section C","1997","53","12","1909","1911","10.1107/S010827019701024X","","","0.70926","MoKα","","0.126","0.053","","0.13","0.102","","","","1.027","1.199","1.199","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007001","14.818","0.002","14.818","0.002","29.903","0.006","90","","90","","120","","5686.2","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Chloro-tris(1,3-diphenyl-1,3-propanedionato)zirconium(IV)","","- C45 H33 Cl O6 Zr -","- C45 H33 Cl O6 Zr -","- C270 H198 Cl6 O36 Zr6 -","6","0.333333","CF1194","Janiak, Christoph; Scharmann, Tobias G.","The Racemic <i>C</i>~3~-Symmetrical Propeller Structure of Chlorotris(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')zirconium(IV)","Acta Crystallographica Section C","1998","54","2","210","212","10.1107/S0108270197014182","","","0.71069","MoKα","","0.025","0.024","","0.066","0.065","","","","1.085","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007078","36.12","0.002","36.12","0.002","14.787","0.001","90","","90","","120","","16707.3","1.7","295","","295","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C42 H34 O2 -","- C41.9997 H33.4286 O1.99971 -","- C881.994 H702 O41.994 -","21","1.16667","FG1398","Benites, Maria del Rosario; Hammer, Robert P.; Fronczek, Frank R.","1,4-Bis(triphenylmethoxy)-2-butyne, Rhombohedral with <i>Z</i>' = 7/6","Acta Crystallographica Section C","1998","54","3","412","415","10.1107/S0108270197016703","","","1.54184","CuKα","","0.083","0.057","","","0.059","","","","","1.206","1.206","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007161","31.877","0.007","31.877","0.007","9.614","0.001","90","","90","","120","","8460","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16.33 H25 O4.17 Ru -","- C16.3333 H24 O4.16667 Ru -","- C294 H432 O75 Ru18 -","18","1","FG1341","Meléndez, Enrique; Ilarraza, Raimundo; Yap, Glenn P.A.; Rheingold, Arnold L.","Bis(acetylacetonato-<i>O</i>,<i>O</i>')(η^4^-<i>trans</i>-2,4-hexadiene)ruthenium(II) 1/6-Ethanol Solvate","Acta Crystallographica Section C","1998","54","4","449","451","10.1107/S0108270197016958","","","0.71073","MoKα","","0.1017","0.0514","","0.1261","0.101","","","","1.018","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007309","10.179","0.001","10.179","0.001","11.674","0.002","90","","90","","120","","1047.5","0.2","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","Hexamolybdenum Octatelluride","","- Mo6 Te8 -","- Mo6 Te8 -","- Mo18 Te24 -","3","0.166667","BR1198","Miller, Gordon J.; Smith, Mark","Hexamolybdenum Octatelluride, Mo~6~Te~8~","Acta Crystallographica Section C","1998","54","6","709","710","10.1107/S0108270197017812","","","0.71073","MoKα","","0.0405","0.0387","","0.1097","","0.1091","","","1.171","1.187","1.187","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2007348","24.58","0.002","24.58","0.002","21.5609","0.0011","90","","90","","120","","11281.4","1.4","210","3","210","3","","","","","","","","6","R -3 :H","-R 3","148","","Dodekakis{tris(2-aminoethyl)amin}heptacadmium(II)-perchlorate","","- C72 H216 Cd7 Cl14 N48 O56 -","- C72 H216 Cd7 Cl14 N48 O56.06 -","- C216 H648 Cd21 Cl42 N144 O168.18 -","3","0.166667","LN1016","Klüfers, Peter; Mayer, Peter","A Star-Shaped Heptanuclear Tetramine Cadmium(II) Complex","Acta Crystallographica Section C","1998","54","6","722","725","10.1107/S0108270197019355","","","0.71069","MoKα","","0.045","0.037","","0.098","0.095","","","","1.049","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007463","12.5841","0.0008","12.5841","0.0008","18.993","0.002","90","","90","","120","","2604.8","0.4","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris(selenophenyl)methane","","- C19 H16 Se3 -","- C19 H16 Se3 -","- C114 H96 Se18 -","6","0.333333","NA1344","Schulz Lang, Ernesto; Pradella Ziani, Juliana; Abram, Ulrich","Tris(phenylseleno)methane","Acta Crystallographica Section C","1998","54","7","1010","1011","10.1107/S0108270198001085","","","0.71073","MoKα","","0.048","0.029","","","","0.067","","","","","","1.073","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007499","8.972","0.001","8.972","0.001","34.15","0.02","90","","90","","120","","2380.7","1.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Kemp's acid-acrylonitrile","(1α,3α,5α)-1,3,5-trimethyl-1,3,5-cyclohexanetricarboxylic acid-acetonitrile","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C84 H126 N6 O36 -","6","0.333333","BM1202","Hirose, Takuji; Baldwin, Bruce W.; Wang, Zhen-He; Kennard, Colin H. L.","(1α,3α,5α)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic Acid Acetonitrile Solvate","Acta Crystallographica Section C","1998","54","8","1143","1144","10.1107/S0108270198001024","","","0.71073","MoKα","","0.08","0.05","","","","0.152","","","","","","1.096","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007657","26.965","0.006","26.965","0.006","10.933","0.002","90","","90","","120","","6884","3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","4-(p-hydroxyphenyl)-2,2,4-trimethylchroman","4-(2,2,4-trimethylchroman-4-yl)phenol","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","OA1044","Imashiro, Fumio; Yoshimura, Motohide; Fujiwara, Takaji","`Guest-Free' Dianin's Compound","Acta Crystallographica Section C","1998","54","9","1357","1360","10.1107/S010827019800451X","","","1.5405","CuKα","","0.049","0.037","","0.101","0.092","","","","1.038","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007756","19.048","0.0009","19.048","0.0009","9.053","0.0004","90","","90","","120","","2844.6","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","catena-tris(μ-Glycine)-scandium(III) tri-perchlorate","","- C6 H15 Cl3 N3 O18 Sc -","- C6 H15 Cl3 N3 O18 Sc -","- C36 H90 Cl18 N18 O108 Sc6 -","6","0.333333","QA0053","Wang, Zhe-Ming; Lu, Zhi; Liao, Chun-Sheng; Yan, Chun-Hua","Tris(glycine)scandium(III) Triperchlorate: a Space-Group Correction","Acta Crystallographica Section C","1998","54","10","IUC9800050","","10.1107/S0108270198099338","","","0.71073","MoKα","","0.0362","0.0283","","","","0.0772","","","","","","1.083","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007824","4.8554","0.0006","4.8554","0.0006","23.2156","0.0017","90","","90","","120","","473.98","0.09","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","Barium cobalt(II) phosphate","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba3 Co6 O24 P6 -","3","0.166667","FR1136","Bircsak, Zsolt; Harrison, William T. A.","Barium Cobalt Phosphate, BaCo~2~(PO~4~)~2~","Acta Crystallographica Section C","1998","54","11","1554","1556","10.1107/S010827019800794X","","","0.71073","MoKα","","0.0175","0.017","","","","0.045","","","","","","1.178","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007917","29.3123","0.0001","29.3123","0.0001","6.8706","0.0001","90","","90","","120","","5112.4","0.08","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene tetrahydrofuran solvate","","- C23.33 H24.67 O6.33 S2 -","- C22 H22 O6 S2 -","- C198 H198 O54 S18 -","9","0.5","FG1445","Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate","Acta Crystallographica Section C","1998","54","12","1994","1997","10.1107/S0108270198009536","","","0.71073","MoKα","","0.04","0.035","","","","0.096","","","","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008138","21.1645","0.0001","21.1645","0.0001","28.9378","0.0001","90","","90","","120","","11225.7","0.08","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","cuprous bromide triphenylphosphite cubane tetramer","tetra-μ~3~-bromo-tetrakis[(triphenyl phosphite-P)copper(I)]","","- C72 H60 Br4 Cu4 O12 P4 -","- C72 H60 Br4 Cu4 O12 P4 -","- C432 H360 Br24 Cu24 O72 P24 -","6","0.333333","DA1019","Pike, Robert D.; Starnes, William H. Jr; Carpenter, Gene B.","Cubane tetrameric complexes of copper(I) chloride and bromide with triphenyl phosphite","Acta Crystallographica Section C","1999","55","2","162","165","10.1107/S0108270198012451","","","0.71073","MoKα","","0.08","0.048","","0.147","","0.147","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008212","11.8241","0.0005","11.8241","0.0005","19.8441","0.0011","90","","90","","120","","2402.7","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexa(dimethylsulfoxide-O)nickel(II) tetraiodide(2-)","","- C12 H36 I4 Ni O6 S6 -","- C12 H36 I4 Ni O6 S6 -","- C36 H108 I12 Ni3 O18 S18 -","3","0.166667","BM1277","De-Liang Long; Huai-Ming Hu; Jiu-Tong Chen; Jin-Shun Huang","[Ni{(CH~3~)~2~SO}~6~]I~4~, a redetermination and reinterpretation","Acta Crystallographica Section C","1999","55","3","339","341","10.1107/S0108270198013055","","","0.71073","MoKα","","0.024","0.019","","0.041","0.039","","","","1.131","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008303","36.925","0.004","36.925","0.004","8.256","0.002","90","","90","","120","","9749","3","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","hexanoyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C19 H23 Cl N2 O7 S -","- C19 H23 Cl N2 O7 S -","- C342 H414 Cl18 N36 O126 S18 -","18","1","SX1070","Alvaro W. Mombrú; Raúl A. Mariezcurrena; Leopoldo Suescun; Helena Pardo; Eduardo Manta; Carolina Prandi","Two absorption furosemide prodrugs","Acta Crystallographica Section C","1999","55","3","413","416","10.1107/S010827019801213X","","","0.71069","MoKα","","0.1034","0.0561","","","","0.1994","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008469","4.8112","0.0007","4.8112","0.0007","23.302","0.005","90","","90","","120","","467.12","0.14","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","barium dinickel(II) bis(phosphate)","","- Ba Ni2 O8 P2 -","- Ba Ni2 O8 P2 -","- Ba3 Ni6 O24 P6 -","3","0.166667","JZ1337","El-Bali, Brahim; Bolte, Michael; Boukhari, Ali; Aride, Jilali; Taibe, M'Hamed","BaNi~2~(PO~4~)~2~","Acta Crystallographica Section C","1999","55","5","701","702","10.1107/S0108270199000499","","","0.71073","MoKα","","0.039","0.039","","","","0.099","","","","","","1.167","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008830","5.758","0.001","5.758","0.001","24.498","0.001","90","","90","","120","","703.4","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Dicalcium aluminium hydroxide bromide dihydrate","","- Al Br Ca2 H10 O8 -","- Al Br Ca2 H9.9996 O8 -","- Al3 Br3 Ca6 H29.9988 O24 -","3","0.166667","QA0141","Rapin, Jean-Philippe; Mohamed Noor, Norlidah; François, Michel","The double layered hydroxide 3CaO^.^Al~2~O~3~^.^CaBr~2~^.^10H~2~O","Acta Crystallographica Section C","1999","55","8","IUC9900092","","10.1107/S0108270199099126","","","0.56087","AgKα","","0.024","0.021","","","","0.075","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009228","5.772","0.001","5.772","0.001","26.538","0.001","90","","90","","120","","765.69","0.19","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","calcium oxide‒dialuminium trioxide‒calcium diiodate hydrate (3/1/1/10)","","- Al Ca2 H10 I O8 -","- Al Ca2 H10.002 I6 O8 -","- Al3 Ca6 H30.006 I18 O24 -","3","0.166667","BR1245","Jean-Philippe Rapin; Alain Walcarius; Grégory Lefevre; Michel François","A double-layered hydroxide, 3CaO.Al~2~O~3~.CaI~2~.10H~2~O","Acta Crystallographica Section C","1999","55","12","1957","1959","10.1107/S0108270199008665","","","1.54058","CuKα","","0.04","0.039","","","","0.112","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009433","22.126","0.002","22.126","0.002","10.29","0.002","90","","90","","120","","4362.7","1","298","","298","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H33 N6 O40 P W12 -","- C30 N6 O39.3334 P0.1667 W12 -","- C90 N18 O118 P0.5001 W36 -","3","0.166667","AS1071","Hashimoto, Masato; Misono, Makoto","[(C~5~H~5~N)~2~H]~3~[PW~12~O~40~]","Acta Crystallographica Section C","1994","50","2","231","233","10.1107/S010827019300825X","","","0.71069","MoKα","","","0.057","","","0.056","","","","","1.003","1.003","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009732","15.068","0.002","15.068","0.002","32.303","0.006","90","","90","","120","","6351.6","1.7","173","","","","","","","","","","","7","R -3 :H","-R 3","","","","","- C48 H114 Cl12 N4 Na2 O24 Ta6 -","- C48 H114 Cl12 N4 Na2 O24 Ta6 -","- C144 H342 Cl36 N12 Na6 O72 Ta18 -","3","0.166667","SH1052","Beck, U.; Borrmann, H.; Simon, A.","(C~18~H~36~N~2~O~6~Na)~2~[Ta~6~Cl~12~(CH~3~O)~6~].6CH~3~OH with partial substitution of CH~3~O^{-^} by OH^{-^}","Acta Crystallographica Section C","1994","50","5","695","697","10.1107/S0108270193008546","","","0.71073","MoKα","","","0.0424","","","0.0427","","","","","1.2085","1.2085","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2010158","9.053","0.001","9.053","0.001","15.149","0.001","90","","90","","120","","1075.23","0.18","29","0.5","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- H8 O12 Si8 -","- H8 O12 Si8 -","- H24 O36 Si24 -","3","0.166667","CR1105","Törnroos, K.W.","Octahydridosilasesquioxane determined by neutron diffraction","Acta Crystallographica Section C","1994","50","11","1646","1648","10.1107/S0108270194005342","","neutron","1.215","neutron","","","0.031","","","0.0526","","","","","1.122","1.122","","","","","has coordinates","198523","2020-10-21","18:00:00",""
"2010761","13.9691","0.001","13.9691","0.001","32.39","0.003","90","","90","","120","","5473.7","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(antipyrine-O)terbium(III) triperchlorate","","- C66 H72 Cl3 N12 O18 Tb -","- C66 H72 Cl3 N12 O18 Tb -","- C198 H216 Cl9 N36 O54 Tb3 -","3","0.166667","QB0180","Su, Cheng-Yong; Yang, Xiao-Ping; Xu, An-Wu; Zhang, Ze-Fu; Liu, Hong-Ke; Kang, Bei-Sheng","Hexakis(antipyrine-<i>O</i>)terbium(III) triperchlorate","Acta Crystallographica Section C","2000","56","3","e82","e83","10.1107/S0108270100002298","","","0.71073","MoKα","","0.046","0.045","","","","0.11","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010785","29.629","0.003","29.629","0.003","9.438","0.002","90","","90","","120","","7175.4","1.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","1,2-bis(dimethylamino)-1,1:2,2-bis(dimethylenedithioxy)diborane(4) dichloromethane solvate","","- C8.33 H22.66 B2 Cl0.66 N2 S4 -","- C8.334 H22.668 B2 Cl0.666667 N2 S4 -","- C150.012 H408.024 B36 Cl12 N36 S72 -","18","1","BK1489","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.","Three sulfur-containing diborane(4) compounds","Acta Crystallographica Section C","2000","56","4","440","444","10.1107/S0108270199014778","","","0.71073","MoKα","","0.064","0.046","","","","0.129","","","","","","1.3","","","","has coordinates,has disorder,has Fobs","202207","2020-10-21","18:00:00",""
"2010788","42.064","0.006","42.064","0.006","7.052","0.003","90","","90","","120","","10806","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Aqua(n-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^-N]cobalt(III) perchlorate","","- C17 H34 Cl Co N4 O7 -","- C17 H34 Cl Co N4 O7 -","- C306 H612 Cl18 Co18 N72 O126 -","18","1","BK1502","Xiang, Ping; Chen, Ying; Shen, Xu-Jie; Chen, Hui-Lan; Duan, Chun-Ying","Aqua(<i>n</i>-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^<i>N</i>]cobalt(III) perchlorate","Acta Crystallographica Section C","2000","56","4","421","422","10.1107/S010827019901673X","","","0.71073","MoKα","","0.093","0.064","","","","0.183","","","","","","1.025","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011570","29.639","0.004","29.639","0.004","8.119","0.002","90","","90","","120","","6176.8","1.9","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride diethyl ether solvate","","- C9.64 H3.6 Cl6 O3.16 -","- C9.66333 H3.65 Cl6 O3.17 -","- C173.94 H65.7 Cl108 O57.06 -","18","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.046","0.032","","","","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011903","9.5078","0.0002","9.5078","0.0002","87.797","0.002","90","","90","","120","","6873.4","0.3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo21 Rb4 Se24 -","- Mo21 Rb4 Se24 -","- Mo126 Rb24 Se144 -","6","0.333333","SK1436","Picard, S.; Gougeon, P.; Potel, M.","Rb~4~Mo~21~Se~24~ containing Mo~12~ and Mo~15~ clusters","Acta Crystallographica Section C","2001","57","4","335","336","10.1107/S0108270100019466","","","0.71073","MoKα","","0.118","0.051","","","","0.117","","","","","","0.959","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012142","7.806","0.001","7.806","0.001","14.867","0.002","90","","90","","120","","784.53","0.18","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0197","0.0197","","","","0.0552","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012143","7.7724","0.0004","7.7724","0.0004","14.763","0.002","90","","90","","120","","772.35","0.12","10.5","0.5","10.5","0.5","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0213","0.0213","","","","0.0614","","","","","","1.071","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012428","32.84","0.005","32.84","0.005","13.918","0.003","90","","90","","120","","12999","4","150","2","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H32 O8 -","- C34 H32 O8 -","- C612 H576 O144 -","18","1","FR1354","Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.","2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate","Acta Crystallographica Section C","2002","58","1","o29","o31","10.1107/S0108270101019163","","","0.71073","MoKα","","","0.0436","","","","0.1136","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012523","30.5212","0.0007","30.5212","0.0007","8.8689","0.0002","90","","90","","120","","7154.9","0.3","120","1","120","1","","","","","","","","3","R -3 :H","-R 3","148","","3-methyl-1,5-diphenyl-1,6,7,8-tetrahydropyrazolo[3,4-b][1,4]diazepine","","- C19 H18 N4 -","- C19 H18 N4 -","- C342 H324 N72 -","18","1","SK1526","Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Insuasty, Henry; Nogueras, Manuel; Sánchez, Adolfo","Supramolecular hydrogen-bonded hexamers in two 5-aryl-3-methyl-1-phenyl-1,6,7,8-tetrahydropyrazolo[3,4-<i>b</i>][1,4]diazepines","Acta Crystallographica Section C","2002","58","2","o103","o105","10.1107/S0108270101020625","","","0.71073","MoKα","","0.0662","0.0497","","","0.1234","0.1334","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012743","9.3025","0.0008","9.3025","0.0008","25.9412","0.0018","90","","90","","120","","1944.1","0.3","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","Niobium chloride","Dipotassium strontium hexaniobium octadecachloride","","- Cl18 K2 Nb6 Sr -","- Cl18 K2 Nb6 Sr -","- Cl54 K6 Nb18 Sr3 -","3","0.166667","BR1367","Duraisamy, Thirumalai; Lachgar, Abdessadek","K~2~SrNb~6~Cl~18~, dipotassium strontium hexaniobium octadecachloride","Acta Crystallographica Section C","2002","58","6","i85","i86","10.1107/S010827010200687X","","","0.71073","MoKα","","0.0425","0.0307","","","0.0672","0.0725","","","","","","0.897","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013094","15.3965","0.0006","15.3965","0.0006","10.0549","0.0005","90","","90","","120","","2064.2","0.15","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","Dimercury(II) selenite(IV) oxide hydrate","","- H0.3333 Hg2 O4.1667 Se -","- Hg2 O4.16667 Se -","- Hg36 O75 Se18 -","18","1","SK1593","Weil, Matthias","The channel structure of the mercury(II) selenite(IV) oxide hydrate HgSeO~3~·HgO·{1 øver 6}H~2~O","Acta Crystallographica Section C","2002","58","12","i164","i166","10.1107/S0108270102018152","","","0.71073","MoKα","","0.028","0.022","","","0.053","0.054","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013240","9.2527","0.0006","9.2527","0.0006","25.41","0.002","90","","90","","120","","1884","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Niobium chloride","Potassium yttrium hexaniobium octadecachloride","","- Cl18 K Nb6 Y -","- Cl18 K Nb6 Y -","- Cl54 K3 Nb18 Y3 -","3","0.166667","BC1007","Duraisamy, Thirumalai; Lachgar, Abdessadek","Potassium yttrium hexaniobium octadecachloride, KYNb~6~Cl~18~","Acta Crystallographica Section C","2003","59","4","i27","i28","10.1107/S0108270103003731","","","0.71073","MoKα","","0.0538","0.0323","","","0.0458","0.0499","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013296","19.917","0.003","19.917","0.003","15.608","0.003","90","","90","","120","","5362","1.5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis(borato)dodeca(tert-butoxo)octadecalithium","","- C48 H108 B2 Li18 O18 -","- C48 H108 B2 Li18 O18 -","- C144 H324 B6 Li54 O54 -","3","0.166667","GG1167","Tombul, Mustafa; Errington, R. John; Coxall, Robert A.; Clegg, William","An alkoxide cluster with 18 Li^+^ ions encapsulating two borate anions, [(^<i>t^</i>BuO)~12~Li~18~(BO~3~)~2~]","Acta Crystallographica Section C","2003","59","6","m231","m233","10.1107/S0108270103009636","","","0.71073","MoKα","","0.1519","0.0782","","","0.1256","0.1526","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013971","22.676","0.002","22.676","0.002","13.5195","0.0018","90","","90","","120","","6020.4","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^2^N,N']iron(III)} hexaisothiocyanatoiron(III)","","- C60 H60 B6 Fe4 N42 S6 -","- C60 H60 B6 Fe4 N42 S6 -","- C180 H180 B18 Fe12 N126 S18 -","3","0.166667","FG1750","Wang, Shi; Li, Yi-Zhi; Zuo, Jing-Lin; Li, Cheng-Hui; You, Xiao-Zeng","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^3^<i>N</i>^2^,<i>N</i>^2'^,<i>N</i>^2''^]iron(III)} hexaisothiocyanatoiron(III)","Acta Crystallographica Section C","2004","60","6","m258","m260","10.1107/S0108270104008741","","","0.71073","MoKα","","0.0668","0.0439","","","0.0992","0.1039","","","","","","1.11","","","","has coordinates","192308","2020-10-21","18:00:00",""
"2014028","32.322","0.005","32.322","0.005","8.084","0.002","90","","90","","120","","7314","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","N-{(1E)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1- yl]methylene}-1H-imidazole-1-carboxamide","","- C16 H18 N6 O -","- C16 H18 N6 O -","- C288 H324 N108 O18 -","18","1","JZ1613","Viktor Kettmann; Jan Světlík; Jiří Kubišta","<i>N</i>-{(1<i>E</i>)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]methylene}-1<i>H</i>-imidazole-1-carboxamide","Acta Crystallographica Section C","2004","60","6","o431","o433","10.1107/S010827010400890X","","","0.71073","MoKα","","0.0637","0.0402","","","0.0967","0.1081","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014305","11.28","0.0011","11.28","0.0011","9.6375","0.0011","90","","90","","120","","1061.97","0.19","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Iron(III) hypophosphite","Iron(III) tris[dihydrogenphosphate(I)]","","- Fe H6 O6 P3 -","- Fe H6 O6 P3 -","- Fe6 H36 O36 P18 -","6","0.333333","BC1084","Kuratieva, Natalia V.; Naumov, Dmitry Yu.","Iron(III) dihydrogenphosphate(I)","Acta Crystallographica Section C","2006","62","1","i9","i10","10.1107/S0108270105038035","","","0.71073","MoKα","","0.0403","0.0299","","","0.0693","0.0732","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014733","18.4577","0.0004","18.4577","0.0004","19.7736","0.0004","90","","90","","120","","5834.1","0.2","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","5-[1-(2,2-dimethoxyethylamino)ethylidene]-1,3-dimethylpyrimidine- 2,4,6(1H,3H,5H)-trione","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C216 H342 N54 O90 -","18","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0583","0.042","","","0.1076","0.115","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015305","46.263","0.002","46.263","0.002","7.203","0.0007","90","","90","","120","","13350.9","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","cis-Diaqua[(E)-2-(2-oxidobenzylideneamino-κO)benzoato-κO']copper(II)","","- C14 H13 Cu N O5 -","- C14 H13 Cu N O5 -","- C504 H468 Cu36 N36 O180 -","36","2","GD3011","Lu, Li-Ping; Yao, Shu-Qin; Zhu, Miao-Li","<i>cis</i>-Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzoato-κ<i>O</i>]copper(II): tubes built from O—H···O hydrogen-bonding, π‒π and C—H···π interactions","Acta Crystallographica Section C","2006","62","5","m220","m222","10.1107/S0108270106013242","","","0.71073","MoKα","","0.1059","0.0716","","","0.1458","0.1602","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015415","9.509","0.005","9.509","0.005","10.989","0.008","90","","90","","120","","860.5","0.9","296.1","","293","2","","","","","","","","4","R -3 :H","-R 3","148","calcium yttrium tin oxide","","","- Ca0.8 O6 Sn0.8 Y2.4 -","- Ca0.8001 O6 Sn0.8 Y2.3999 -","- Ca4.8006 O36 Sn4.8 Y14.3994 -","6","0.333333","FA3014","Yusuke Kaminaga; Hisanori Yamane; Takahiro Yamada","Ca~0.8~Y~2.4~Sn~0.8~O~6~, a quaternary oxide with mixed occupations of Ca/Y and Y/Sn","Acta Crystallographica Section C","2006","62","7","i57","i58","10.1107/S0108270106017586","","","0.710747","MoKα","","0.0186","0.0179","","","0.0411","0.0414","","","","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015885","11.1205","0.0007","11.1205","0.0007","14.843","0.001","90","","90","","120","","1589.65","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","lithium trimanganese bis[trioxoselenate(IV)] hexakis[hydrogentrioxoselenate(IV)]","","- H6 Li Mn3 O24 Se8 -","- H6 Li Mn3 O24 Se8 -","- H18 Li3 Mn9 O72 Se24 -","3","0.166667","FA3060","Johnston, Magnus G.; Harrison, William T. A.","LiMn~3~(SeO~3~)~2~(HSeO~3~)~6~","Acta Crystallographica Section C","2007","63","4","i28","i30","10.1107/S0108270107001588","","","0.71073","MoKα","","0.0366","0.0238","","","0.0485","0.0508","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016100","10.1283","0.0009","10.1283","0.0009","18.948","0.003","90","","90","","120","","1683.3","0.3","86","2","86","2","","","","","","","","3","R -3 :H","-R 3","148","ZnTe6O13","zinc(II) hexatellurium(IV) tridecaoxide","","- O13 Te6 Zn -","- O13 Te6 Zn -","- O78 Te36 Zn6 -","6","0.333333","IZ3022","Nawash, Jalal M.; Twamley, Brendan; Lynn, Kelvin G.","ZnTe~6~O~13~, a new ZnO‒TeO~2~ phase","Acta Crystallographica Section C","2007","63","8","i66","i68","10.1107/S0108270107027412","","","0.71073","MoKα","","0.0213","0.02","","","0.0593","0.0604","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016213","12.8094","0.0008","12.8094","0.0008","10.7854","0.0013","90","","90","","120","","1532.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","cis,cis-cyclohexane-1,3,5-tricarboxamide","cis,cis-cyclohexane-1,3,5-tricarboxamide","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C54 H90 N18 O18 -","6","0.333333","SF3051","Binoy K. Saha","Hexagonal packing of <i>cis</i>,<i>cis</i>-cyclohexane-1,3,5-tricarboxamide","Acta Crystallographica Section C","2007","63","10","o591","o593","10.1107/S0108270107040048","","","0.71073","MoKα","","0.0389","0.0345","","","0.0949","0.0983","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016268","7.3965","0.0005","7.3965","0.0005","7.2826","0.0007","90","","90","","120","","345.04","0.05","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","barium hexafluoroiridate (IV)","barium hexafluoroiridate(IV)","","- Ba F6 Ir -","- Ba F6 Ir -","- Ba3 F18 Ir3 -","3","0.166667","IZ3025","Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.","Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]","Acta Crystallographica Section C","2007","63","11","i99","i101","10.1107/S0108270107044046","","","0.71073","MoKα","","0.0236","0.0236","","","0.0659","0.0659","","","","","","1.219","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016409","19.026","0.003","19.026","0.003","14.521","0.005","90","","90","","120","","4552.2","1.9","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[2-(morpholin-4-ylmethyl)phenyl-κ2C1,N]antimony(III)","","- C33 H42 N3 O3 Sb -","- C33 H42 N3 O3 Sb -","- C198 H252 N18 O18 Sb6 -","6","0.333333","SF3067","Copolovici, Dana; Silvestru, Cristian; Varga, Richard A.","Tris[2-(morpholin-4-ylmethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]antimony(III)","Acta Crystallographica Section C","2008","64","1","m37","m39","10.1107/S0108270107061896","","","0.71073","MoKα","","0.0409","0.0364","","","0.0787","0.0806","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016427","12.533","0.005","12.533","0.005","20.763","0.006","90","","90","","120","","2824.4","1.8","173","1","173","1","","","","","","","","3","R -3 :H","-R 3","148","","hexaphenylhexaphosphinane benzene solvate","","- C42 H36 P6 -","- C42 H36 P6 -","- C126 H108 P18 -","3","0.166667","GA3071","Jan J. Weigand; Andreas Decken; Neil Burford","Hexaphenylhexaphosphinane benzene solvate","Acta Crystallographica Section C","2008","64","2","o64","o66","10.1107/S0108270107067248","","","0.71073","MoKα","","0.0351","0.03","","","0.0812","0.088","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016949","8.251","0.001","8.251","0.001","22.949","0.003","90","","90","","120","","1353","0.3","296","0.5","296","0.5","","","","","","","","6","R -3 :H","-R 3","148","","poly[bis(dimethylammonium) [hexa-μ~2~-formato-κ^12^<i>O</i>:<i>O</i>'-aluminium(III)sodium(I)]]","","- C10 H22 Al N2 Na O12 -","- C10 H21.9998 Al N1.9998 Na O12 -","- C30 H65.9995 Al3 N5.9994 Na3 O36 -","3","0.166667","EM3021","Plutecka, Agnieszka; Rychlewska, Urszula","A three-dimensional Al^III^/Na^I^ metal‒organic framework resulting from dimethylformamide hydrolysis","Acta Crystallographica Section C","2009","65","2","m75","m77","10.1107/S0108270109000092","","","1.54178","CuKα","","0.0534","0.0338","","","0.0949","0.1044","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017044","21.1117","0.0008","21.1117","0.0008","20.3244","0.0009","90","","90","","120","","7845","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","<i>tert</i>-butyl 2-(1-hydroxyethyl)-3-(2-nitrophenyl)-5-oxo-2,5-dihydro- 1<i>H</i>-pyrrole-1-carboxylate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C306 H360 N36 O108 -","18","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0473","0.0386","","","0.0936","0.098","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017113","13.023","0.0004","13.023","0.0004","19.8046","0.0013","90","","90","","120","","2908.8","0.2","173","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","1,3,5-Triphenyladamantane","","- C28 H28 -","- C28 H28 -","- C168 H168 -","6","0.333333","SF3104","Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane","Acta Crystallographica Section C","2009","65","5","o248","o252","10.1107/S0108270109013456","","","0.71073","MoKα","","0.0569","0.0393","","","0.0915","0.1028","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017234","15.3053","0.0007","15.3053","0.0007","43.672","0.003","90","","90","","120","","8859.7","0.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Sodium manganese phosphate","Sodium manganese phosphate","","- Mn45.31 Na14.11 O144 P36 -","- Mn45.314 Na14.1 O144 P36 -","- Mn135.942 Na42.3 O432 P108 -","3","0.166667","FN3021","Hatert, Frédéric; Keller, Paul; Lissner, Falk; Schleid, Thomas","Na~10~(Na,Mn)~7~Mn~43~(PO~4~)~36~: a new synthetic fillowite-type phosphate","Acta Crystallographica Section C","2009","65","8","i52","i53","10.1107/S0108270109027188","","","0.71073","MoKα","","0.0802","0.0384","","","0.0729","0.0811","","","","","","0.857","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017604","17.753","0.01","17.753","0.01","12.756","0.007","90","","90","","120","","3482","3","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H14 F4 N4 O2 -","- C14 H14 F4 N4 O2 -","- C126 H126 F36 N36 O18 -","9","0.5","FG3149","Xu, Huan; Mi, Jin-Ling; Hu, Zhao-Jian; Guo, Xiu-Kai; Chen, Qun","An ice-like water hexamer with øverline{3} symmetry in the hydrogen-bonded structure of 2,3,5,6-tetrafluoro-1,4-bis(imidazol-1-ylmethyl)benzene dihydrate","Acta Crystallographica Section C","2010","66","4","o151","o153","10.1107/S0108270110007572","","","0.71073","MoKα","","0.0465","0.0415","","","0.1293","0.1344","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018054","26.7321","0.0005","26.7321","0.0005","10.87","0.0003","90","","90","","120","","6727.1","0.3","100","1","100","1","","","","","","","","3","R -3 :H","-R 3","148","racemic guest-free Dianin's compound","4-(4-hydroxyphenyl)-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.039","0.0371","","","0.1227","0.1261","","","","","","1.002","","","","has coordinates,has Fobs","288599","2024-01-02","06:49:37",""
"2018196","24.7962","0.0003","24.7962","0.0003","5.2924","0.0001","90","","90","","120","","2818.08","0.07","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone acetone 0.167-solvate","","- C6.5 H8 N O2.1667 -","- C6.51 H8.02 N O2.17 -","- C117.18 H144.36 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0666","0.0441","","","0.1118","0.13","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018197","24.9208","0.0005","24.9208","0.0005","5.2738","0.0001","90","","90","","120","","2836.47","0.1","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone propan-2-ol 0.167-solvate","","- C6.5 H8.3333 N O2.1667 -","- C6.51 H8.36 N O2.17 -","- C117.18 H150.48 N18 O39.06 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0622","0.0465","","","0.1206","0.1323","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018198","24.9131","0.0011","24.9131","0.0011","5.2462","0.0003","90","","90","","120","","2819.9","0.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0854","0.0519","","","0.1358","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018199","25.2734","0.0007","25.2734","0.0007","5.2602","0.0007","90","","90","","120","","2909.8","0.4","293","0.2","293","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.1131","0.0626","","","0.1642","0.1983","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018200","24.9194","0.0005","24.9194","0.0005","5.2541","0.001","90","","90","","120","","2825.6","0.5","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","0.71073","MoKα","","0.0642","0.0445","","","0.1219","0.1347","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018201","24.9344","0.0004","24.9344","0.0004","5.2415","0.0001","90","","90","","120","","2822.18","0.08","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0398","0.0373","","","0.1095","0.1129","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018202","25.282","0.006","25.282","0.006","5.1838","0.0014","90","","90","","120","","2869.5","1.2","90","0.2","90","0.2","","","","","","","","4","R -3 :H","-R 3","148","","5-hydroxy-6-methyl-2-pyridone","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C108 H126 N18 O36 -","18","1","MX3051","Parkin, Sean R.; Behrman, Edward J.","Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone","Acta Crystallographica Section C","2011","67","8","o324","o328","10.1107/S0108270111026254","","","1.54178","CuKα","","0.0948","0.0731","","","0.2201","0.2455","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018410","17.3662","0.0008","17.3662","0.0008","11.4425","0.001","90","","90","","120","","2988.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","poly[ammine-μ~3~-malonato-cadmium(II)]","","- C3 H5 Cd N O4 -","- C3 H5 Cd N O4 -","- C54 H90 Cd18 N18 O72 -","18","1","FA3269","Yuan, Shuai; Liu, Mei-Jiao; Xie, Han-Yi; Xu, Meng-Zhen; Sun, Di","A novel three-dimensional Cd^II^ metal‒organic framework based on [Cd~6~(malonate)~6~] metallomacrocycles with zeolite SOD (sodalite) topology: poly[ammine-μ~3~-malonato-cadmium(II)]","Acta Crystallographica Section C","2012","68","3","m57","m60","10.1107/S0108270112003277","","","0.71073","MoKα","","0.0146","0.0139","","","0.0349","0.0354","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018819","29.8145","0.0005","29.8145","0.0005","10.2028","0.0002","90","","90","","120","","7854.3","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","(±)-<i>exo</i>,<i>syn</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>SR</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C378 H396 Br18 N18 O36 -","18","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0435","0.0331","","","0.077","0.0814","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019570","10.9149","0.0004","10.9149","0.0004","15.4297","0.0006","90","","90","","120","","1591.94","0.1","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)potassium(I) iodide","","- C12 H30 I K N6 O6 -","- C12 H30 I K N6 O6 -","- C36 H90 I3 K3 N18 O18 -","3","0.166667","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.011","0.011","","","0.0304","0.0304","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019572","10.9637","0.0006","10.9637","0.0006","14.3641","0.0008","90","","90","","120","","1495.28","0.14","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)sodium(I) iodide","","- C12 H30 I N6 Na O6 -","- C12 H30 I N6 Na O6 -","- C36 H90 I3 N18 Na3 O18 -","3","0.166667","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.0117","0.0117","","","0.034","0.034","","","","","","1.218","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019712","7.1436","0.0009","7.1436","0.0009","22.213","0.003","90","","90","","120","","981.7","0.2","173","2","173","2","","","","","","","","2","R -3 :H","-R 3","148","","hexaiododisilane","","- I6 Si2 -","- I6 Si2 -","- I18 Si6 -","3","0.166667","QS3044","Berger, Matthias; Auner, Norbert; Bolte, Michael","Hexabromo- and hexaiododisilane: small and simple molecules showing completely different crystal structures","Acta Crystallographica Section C","2014","70","11","1088","1091","10.1107/S2053229614022992","","","0.71073","MoKα","","0.051","0.047","","","0.1211","0.1234","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020107","14.1011","0.001","14.1011","0.001","10.085","0.0009","90","","90","","120","","1736.7","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)rubidium hexachloridoantimonate(V)","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0292","0.0263","","","0.0635","0.0649","","","","","","1.051","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020108","14.0782","0.001","14.0782","0.001","10.623","0.0008","90","","90","","120","","1823.4","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)caesium hexachloridoantimonate(V)","","- C12 H24 Cl6 Cs O6 Sb -","- C12 H24 Cl6 Cs O6 Sb -","- C36 H72 Cl18 Cs3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0353","0.031","","","0.0761","0.0789","","","","","","1.09","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020109","14.1069","0.0009","14.1069","0.0009","10.1908","0.0008","90","","90","","120","","1756.3","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","Ammonium hexachloridoantimonate(V)‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C12 H28 Cl6 N O6 Sb -","- C12 H28 Cl6 N O6 Sb -","- C36 H84 Cl18 N3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0236","0.0217","","","0.0547","0.0556","","","","","","1.135","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020477","25.119","0.002","25.119","0.002","11.2812","0.0012","90","","90","","120","","6164.4","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-pent-1-enyl]-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","","- C15 H20 F N O -","- C15 H20 F N O -","- C270 H360 F18 N18 O18 -","18","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0897","0.0663","","","0.1997","0.2288","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","183645","2020-10-21","18:00:00",""
"2020478","49.395","0.002","49.395","0.002","11.1802","0.0005","90","","90","","120","","23623.6","1.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-pent-1-enyl]-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol","","- C15 H20 F N O -","- C15 H20 F N O -","- C1080 H1440 F72 N72 O72 -","72","4","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0721","0.0459","","","0.109","0.1217","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","183645","2020-10-21","18:00:00",""
"2020569","29.9202","0.0012","29.9202","0.0012","7.3811","0.0003","90","","90","","120","","5722.4","0.4","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","6-Methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C17 H13 N3 -","- C17 H13 N3 -","- C306 H234 N54 -","18","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0814","0.0564","","","0.1468","0.1729","","","","","","1.039","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020598","11.7826","0.0011","11.7826","0.0011","47.755","0.0004","90","","90","","120","","5741.6","0.8","182","","182","","","","","","","","","6","R -3 :H","-R 3","148","","[Tris(3-mesityl-5-methyl-1<i>H</i>-pyrazol-1-yl-\ κ<i>N</i>^2^)hydroborato]thallium(I) monohydrate","","- C39 H48 B N6 O Tl -","- C39 H46 B N6 Tl -","- C234 H276 B6 N36 Tl6 -","6","0.333333","YP3109","Fujisawa, Kiyoshi; Shimizu, Masaya; Szilagyi, Robert K.","Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)~3~}] and [Tl{HB(3-Ms-5-Mepz)~2~(3-Me-5-Mspz)}]","Acta Crystallographica Section C","2016","72","11","786","790","10.1107/S2053229615023797","","","0.71075","MoKα","","0.0222","0.0209","","","0.0595","0.0598","","","","","","1.171","","","","has coordinates,has Fobs","188934","2020-10-21","18:00:00",""
"2020999","36.4542","0.0007","36.4542","0.0007","10.3535","0.0002","90","","90","","120","","11915.5","0.4","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(μ-3-phenylprop-2-enoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')barium(I)]","","- C30 H22 Ba N2 O4 -","- C30 H22 Ba N2 O4 -","- C540 H396 Ba18 N36 O72 -","18","1","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.0638","0.0357","","","0.0758","0.0868","","","","","","1.023","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2021237","14.594","0.0009","14.594","0.0009","8.5522","0.0006","90","","90","","120","","1577.46","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hydrogen hexakis(μ-hydrogen phosphato)digermaniumtrirubidium","","- Ge2 H7 O24 P6 Rb3 -","- Ge2 H6 O24 P6 Rb3 -","- Ge6 H18 O72 P18 Rb9 -","3","0.166667","LY3074","Song, Jun-Ling; Lu, Wen-Xiu; Guo, Tian-Shuo; Zhou, Yu-Hua","Syntheses, crystal structures and optical properties of two one-dimensional germanophosphates: HRb~3~Ge~2~(HPO~4~)~6~ and CsGe(HPO~4~)~2~(OH)","Acta Crystallographica Section C","2018","74","10","1146","1152","10.1107/S2053229618012792","","","0.71073","MoKα","","0.0345","0.0308","","","0.0826","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","211787","2020-10-21","18:00:00",""
"2021313","29.196","0.004","29.196","0.004","5.4212","0.001","90","","90","","120","","4002","1.1","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","2-Methyl-4-phenyl-1<i>H</i>-imidazole","","- C10 H10 N2 -","- C10 H10 N2 -","- C180 H180 N36 -","18","1","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0863","0.0634","","","0.1823","0.2005","","","","","","1.102","","","","has coordinates,has Fobs","211629","2020-10-21","18:00:00",""
"2021744","19.1399","0.0005","19.1399","0.0005","26.7399","0.0009","90","","90","","120","","8483.4","0.4","153","1","153","1","","","","","","","","3","R -3 :H","-R 3","148","","Triphenylmethanol","","- C19 H16 O -","- C19 H16.0002 O -","- C456 H384.005 O24 -","24","1.33333","CU3146","Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain","Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010714","","x-ray","0.56083","AgKα","","0.1069","0.0524","","","0.1364","0.1673","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","217540","2020-10-21","18:00:00",""
"2021745","19.3309","0.0008","19.3309","0.0008","26.8542","0.0011","90","","90","","120","","8690.5","0.6","295","1","295","1","","","","","","","","3","R -3 :H","-R 3","148","","Triphenylmethanol","","- C19 H16 O -","- C19 H16.0002 O -","- C456 H384.005 O24 -","24","1.33333","CU3146","Rodríguez Tzompantzi, Tomasa; Amaro Hernández, Aldo Guillermo; Meza-León, Rosa Luisa; Bernès, Sylvain","Deciphering the hydrogen-bonding scheme in the crystal structure of triphenylmethanol: a tribute to George Ferguson and co-workers","Acta Crystallographica Section C","2019","75","9","","","10.1107/S2053229619010714","","x-ray","0.56083","AgKα","","0.1619","0.0628","","","0.1803","0.2415","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","217540","2020-10-21","18:00:00",""
"2021853","17.3128","0.0009","17.3128","0.0009","10.6019","0.0009","90","","90","","120","","2752","0.3","293","","293","","0.69","","","","","","","6","R -3 :H","-R 3","148","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.424 Pb -","- C1.00005 I3 N1.00005 Ne0.42345 Pb -","- C12.0006 I36 N12.0006 Ne5.0814 Pb12 -","12","0.666667","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.0917","0.0695","","","0.0691","0.0776","","","","2.2","2.2","1.69","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021854","17.0325","0.0009","17.0325","0.0009","10.4338","0.0005","90","","90","","120","","2621.4","0.2","293","","293","","1.5","","","","","","","6","R -3 :H","-R 3","148","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.601 Pb -","- C1.00005 I3 N1.00005 Ne0.60075 Pb -","- C12.0006 I36 N12.0006 Ne7.209 Pb12 -","12","0.666667","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.0716","0.0488","","","0.0519","0.0591","","","","1.94","1.94","1.73","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021855","16.7757","0.0009","16.7757","0.0009","10.2267","0.0005","90","","90","","120","","2492.5","0.2","293","","293","","2.69","","","","","","","6","R -3 :H","-R 3","148","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne0.91 Pb -","- C1.00005 I3 N1.00005 Ne0.9105 Pb -","- C12.0006 I36 N12.0006 Ne10.926 Pb12 -","12","0.666667","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1045","0.0841","","","0.0804","0.0828","","","","2.9","2.9","2.27","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2023116","36.3261","0.0007","36.3261","0.0007","12.1054","0.0004","90","","90","","120","","13834","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","25,27-Bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","","- C32 H28 Br2 N6 O4 -","- C32 H28 Br2 N6 O4 -","- C576 H504 Br36 N108 O72 -","18","1","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0584","0.0397","","","0.0901","0.0974","","","","","","1.031","","","","has coordinates","291490","2024-05-04","01:52:22",""
"2023122","11.023","0.0001","11.023","0.0001","34.4826","0.0004","90","","90","","120","","3628.53","0.06","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis[hexakis(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] tris[hexaaquanickel(II)] hexahydrate","","- H48 La2 N12 Ni3 O60 -","- H48 La2 N12 Ni3 O60 -","- H144 La6 N36 Ni9 O180 -","3","0.166667","TX2083","Bi, David Wenhua; Liu, Yong; Magrez, Arnaud","High-resolution crystal structure of the double nitrate hydrate [La(NO3)6]2[Ni(H2O)6]3·6H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400327X","","","0.71073","MoKα","","0.0147","0.0134","","","0.0338","0.0342","","","","","","1.058","","","","has coordinates","291817","2024-05-11","01:51:13",""
"2100335","13.7761","0.0001","13.7761","0.0001","41.5456","0.0006","90","","90","","120","","6828.23","0.12","183","2","183","2","","","","","","","","2","R -3 :H","-R 3","148","deca-dodecasil","","","- O2 Si -","- O2 Si -","- O240 Si120 -","120","6.66667","","","","Acta Crystallographica, Section B","2005","61","","627","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100506","5.60549","0.00003","5.605486","","31.1417","0.0002","90","","90","","120","","847.42","0.01","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 Ca F6 O6 S2 -","- C2 Ca F5.99994 O5.99994 S2 -","- C6 Ca3 F17.9998 O17.9998 S6 -","3","0.166667","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","0.69953","synchrotron","","","","","","","","","","2.29","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100508","4.97873","0.00006","4.97873","","31.3165","0.0007","90","","90","","120","","672.27","0.06","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 F6 O6 S2 Zn -","- C2 F5.99994 O5.99994 S2 Zn -","- C6 F17.9998 O17.9998 S6 Zn3 -","3","0.166667","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","0.24804","synchrotron","","","","","","","","","","1.06","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100509","5.0494","0.0005","5.0494","","31.033","0.002","90","","90","","120","","685.23","0.09","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 F6 Mg O6 S2 -","- C2 F5.99994 Mg O5.99994 S2 -","- C6 F17.9998 Mg3 O17.9998 S6 -","3","0.166667","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","","","","","","","","","","","","","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100560","19.9444","0.001","19.9444","0.001","9.8918","0.001","90","","90","","120","","3407.6","0.4","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C126 H180 N36 O36 -","18","1","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.71073","MoKα","","0.0605","0.0441","","","0.124","0.131","","","","","","1.05","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100571","6.17944","0.00013","6.17944","","15.0393","0.0003","90","","90","","120","","497.344","0.014","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba Bi O3 -","- Ba Bi O3 -","- Ba6 Bi6 O18 -","6","0.333333","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100574","6.05716","0.00008","6.05716","","14.7813","0.0002","90","","90","","120","","469.658","0.009","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba2 Bi O6 Sb -","- Ba2 Bi O6 Sb -","- Ba6 Bi3 O18 Sb3 -","3","0.166667","WS5040","Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi","Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~","Acta Crystallographica Section B","2006","62","4","537","546","10.1107/S0108768106018842","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101160","20.839","0.002","20.839","0.002","5.014","0.001","90","","90","","120","","1885.7","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","","","","","- Al9 O36 P8 Si -","- Al9 O36 P9 -","- Al18 O72 P18 -","2","0.111111","SH0036","Baur, W. H.; Joswig, W.; Kassner, D.; Kornatowski, J.; Finger, G.","Structure of SAPO-31 refined from single-crystal diffraction data: substitution of P by Si established by diffraction methods","Acta Crystallographica Section B","1994","50","3","290","294","10.1107/S0108768193012625","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101298","26.113","0.003","26.113","0.003","9.788","0.003","90","","90","","120","","5780","2","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","Bis(pentafluorophenyl)methanol","Bis(pentafluorophenyl)methanol","","- C13 H2 F10 O -","- C13 H2 F10 O -","- C234 H36 F180 O18 -","18","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.1157","0.0675","","0.2376","0.2136","","","","1.093","1.443","1.443","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2101299","26.006","0.004","26.006","0.004","9.5941","0.0011","90","","90","","120","","5619.3","1.4","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","Bis(pentafluorophenyl)methanol","Bis(pentafluorophenyl)methanol","","- C13 H2 F10 O -","- C13 H2 F10 O -","- C234 H36 F180 O18 -","18","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.1431","0.0724","","0.2084","0.1617","","","","1.027","1.137","1.137","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2101403","6.224","0.003","6.224","0.003","19.49","0.01","90","","90","","120","","654","1","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cd P S3 -","- Cd P S3 -","- Cd6 P6 S18 -","6","0.333333","DU0398","Boucher, F.; Evain, M.; Brec, R.","Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~","Acta Crystallographica Section B","1995","51","6","952","961","10.1107/S0108768195004824","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","277630","2022-09-05","12:16:29",""
"2101644","11.4395","0.0019","11.4395","0.0019","14.504","0.003","90","","90","","120","","1643.7","0.5","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H4 Fe O6 -","- C4 H4 Fe O6 -","- C36 H36 Fe9 O54 -","9","0.5","OA0002","Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu","Structural relationship of various squarates","Acta Crystallographica Section B","1996","52","6","966","975","10.1107/S0108768196009639","","","0.7107","MoKα","","0.033","0.028","","0.032","0.032","","","","","4.68","4.68","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102883","27.3197","0.0011","27.3197","0.0011","9.2582","0.0006","90","","90","","120","","5984.2","0.5","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C216 H162 Br36 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.1299","0.0864","","","0.1811","0.2064","","","","","","1.069","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102884","28.022","0.0006","28.022","0.0006","9.5386","0.0003","90","","90","","120","","6486.5","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C13 H9 Br F3 N O2 S -","- C13 H9 Br F3 N O2 S -","- C234 H162 Br18 F54 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0678","0.0401","","","0.1014","0.1118","","","","","","0.986","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102885","28.134","0.004","28.134","0.004","9.024","0.0018","90","","90","","120","","6185.8","1.8","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H9 Br I N O2 S -","- C12 H9 Br I N O2 S -","- C216 H162 Br18 I18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0764","0.06","","","0.17","0.1796","","","","","","1.1","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102886","27.045","0.004","27.045","0.004","9.1556","0.001","90","","90","","120","","5799.5","1.4","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H9 Br Cl N O2 S -","- C12 H9 Br Cl N O2 S -","- C216 H162 Br18 Cl18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0985","0.0494","","","0.1004","0.1134","","","","","","0.937","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102887","27.3848","0.0015","27.3848","0.0015","9.2241","0.0007","90","","90","","120","","5990.6","0.6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H10 Cl N O2 S -","- C14 H10 Cl N O2 S -","- C252 H180 Cl18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0932","0.0716","","","0.1598","0.1756","","","","","","0.928","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102888","27.805","0.003","27.805","0.003","9.4583","0.0012","90","","90","","120","","6332.7","1.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C13 H9 Cl F3 N O2 S -","- C13 H9 Cl F3 N O2 S -","- C234 H162 Cl18 F54 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.1283","0.0556","","","0.1171","0.139","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102889","26.4119","0.0008","26.4119","0.0008","9.3936","0.0005","90","","90","","120","","5674.9","0.4","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H9 Cl1.8 F0.2 N O2 S -","- C12 H9 Cl1.8 F0.2 N O2 S -","- C216 H162 Cl32.4 F3.6 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0646","0.0481","","","0.118","0.1259","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2102890","27.812","0.004","27.812","0.004","9.0055","0.0018","90","","90","","120","","6032.6","1.7","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H9 Cl I N O2 S -","- C12 H9 Cl I N O2 S -","- C216 H162 Cl18 I18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0336","0.0255","","","0.0559","0.058","","","","","","1.014","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102891","27.0722","0.0008","27.0722","0.0008","9.4838","0.0008","90","","90","","120","","6019.5","0.6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H9 Br N2 O2 S -","- C13 H9 Br N2 O2 S -","- C234 H162 Br18 N36 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0713","0.047","","","0.1041","0.1133","","","","","","1.016","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102892","27.6017","0.0008","27.6017","0.0008","9.4505","0.0003","90","","90","","120","","6235.3","0.3","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H9 F3 N2 O2 S -","- C14 H9 F3 N2 O2 S -","- C252 H162 F54 N36 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0785","0.0668","","","0.1639","0.1699","","","","","","1.211","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102893","26.8055","0.0015","26.8055","0.0015","9.5489","0.0006","90","","90","","120","","5942","0.6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H9 Cl N2 O2 S -","- C13 H9 Cl N2 O2 S -","- C234 H162 Cl18 N36 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0651","0.0435","","","0.1107","0.1205","","","","","","1.049","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102894","27.4867","0.0007","27.4867","0.0007","9.3972","0.0007","90","","90","","120","","6148.6","0.5","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H9 I N2 O2 S -","- C13 H9 I N2 O2 S -","- C234 H162 I18 N36 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0799","0.0488","","","0.1158","0.1292","","","","","","0.939","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102895","26.9964","0.0006","26.9964","0.0006","9.5869","0.0005","90","","90","","120","","6050.9","0.4","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C252 H216 N36 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0736","0.0428","","","0.0988","0.1082","","","","","","1.034","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102896","26.5333","0.0004","26.5333","0.0004","9.2014","0.0003","90","","90","","120","","5610.1","0.2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H9 Br F N O2 S -","- C12 H9 Br F N O2 S -","- C216 H162 Br18 F18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0407","0.0313","","","0.0771","0.0808","","","","","","1.026","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102897","27.4403","0.0004","27.4403","0.0004","9.5034","0.0003","90","","90","","120","","6197.1","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H9 F4 N O2 S -","- C13 H9 F4 N O2 S -","- C234 H162 F72 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.08","0.0468","","","0.1273","0.1396","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102898","25.9241","0.0008","25.9241","0.0008","9.3533","0.0005","90","","90","","120","","5443.8","0.4","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H9 Cl F N O2 S -","- C12 H9 Cl F N O2 S -","- C216 H162 Cl18 F18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0601","0.0559","","","0.1496","0.1541","","","","","","0.997","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102899","24.9922","0.0005","24.9922","0.0005","9.5804","0.0004","90","","90","","120","","5182.3","0.3","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H9 F2 N O2 S -","- C12 H9 F2 N O2 S -","- C216 H162 F36 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0522","0.0395","","","0.0949","0.0992","","","","","","1.032","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102900","27.3131","0.0005","27.3131","0.0005","9.1331","0.0002","90","","90","","120","","5900.5","0.2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H9 F I N O2 S -","- C12 H9 F I N O2 S -","- C216 H162 F18 I18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0355","0.0317","","","0.0819","0.0834","","","","","","1.105","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102901","27.1912","0.001","27.1912","0.001","9.4503","0.0007","90","","90","","120","","6051.1","0.5","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H12 Br N O2 S -","- C13 H12 Br N O2 S -","- C234 H216 Br18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0688","0.0436","","","0.0906","0.0985","","","","","","0.967","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102902","27.7243","0.0007","27.7243","0.0007","9.8101","0.0005","90","","90","","120","","6530.2","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H12 F3 N O2 S -","- C14 H12 F3 N O2 S -","- C252 H216 F54 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0812","0.0554","","","0.1424","0.1527","","","","","","1.144","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102903","26.7454","0.0004","26.7454","0.0004","9.5265","0.0003","90","","90","","120","","5901.5","0.2","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H12 Cl N O2 S -","- C13 H12 Cl N O2 S -","- C234 H216 Cl18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0593","0.0372","","","0.0944","0.1027","","","","","","1.088","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102904","27.7443","0.0014","27.7443","0.0014","9.3639","0.0009","90","","90","","120","","6242.2","0.7","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H12 I N O2 S -","- C13 H12 I N O2 S -","- C234 H216 I18 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.068","0.0449","","","0.1081","0.1192","","","","","","1.042","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102905","27.3759","0.0008","27.3759","0.0008","9.9002","0.0004","90","","90","","120","","6425.6","0.4","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H12 I N O3 S -","- C13 H12 I N O3 S -","- C234 H216 I18 N18 O54 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0814","0.0536","","","0.1182","0.1286","","","","","","1.059","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102906","26.5773","0.0011","26.5773","0.0011","9.3206","0.0004","90","","90","","120","","5701.6","0.4","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H9 Cl2 N O2 S -","- C12 H9 Cl2 N O2 S -","- C216 H162 Cl36 N18 O36 S18 -","18","1","BM5045","Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.","Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures","Acta Crystallographica Section B","2007","63","4","621","632","10.1107/S010876810701395X","","","0.71073","MoKα","","0.0776","0.0565","","","0.1215","0.1292","","","","","","1.078","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103192","15.53","","15.53","","12.529","","90","","90","","120","","2616.92","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Carbon tetrachloride-thiourea (1/3)","","- C4 H12 Cl4 N6 S3 -","- C4 Cl6 N3 S3 -","- C24 Cl36 N18 S18 -","6","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103214","15.447","","15.447","","23.026","","90","","90","","120","","4758.14","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H42 In N3 O9 -","- C27 In N3 O12 -","- C162 In6 N18 O72 -","6","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103387","12.722","","12.722","","26.127","","90","","90","","120","","3662.11","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H20 O4 S2 Si2 -","- C8 H20 O4 S2 Si2 -","- C72 H180 O36 S18 Si18 -","9","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103388","38.26","","38.26","","5.605","","90","","90","","120","","7105.52","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H6 O2.04 S0.02 -","- C6 H6 O2 -","- C324 H324 O108 -","54","3","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208364","2020-10-21","18:00:00",""
"2103391","7.5675","","7.5675","","34.703","","90","","90","","120","","1721.09","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C3 H6 B2 F8 O6 Ru -","- C3 H6 B2 F8 O6 Ru -","- C18 H36 B12 F48 O36 Ru6 -","6","0.333333","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103393","11.538","","11.538","","25.818","","90","","90","","120","","2976.56","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H42 Ge2 -","- C48 Ge2 -","- C144 Ge6 -","3","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103396","9.8243","","9.8243","","22.098","","90","","90","","120","","1847.08","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C H B11 Br11 Cs -","- B12 Br12 Cs2 -","- B36 Br36 Cs6 -","3","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103399","24.469","","24.469","","10.581","","90","","90","","120","","5486.43","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H20 Cu F6 O6 -","- C16 H20 Cu F6 O6 -","- C144 H180 Cu9 F54 O54 -","9","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103403","14.138","","14.138","","51.536","","90","","90","","120","","8921.08","","","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C68 H56 Ag Cl N4 O4 P4 -","- C72 Ag Cl O8 P4 -","- C432 Ag6 Cl6 O48 P24 -","6","0.333333","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103810","27.19","0.02","27.19","0.02","11.02","0.01","90","","90","","120","","7056","10","293","2","293","","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-formic acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-formic acid","","- C55 H62 O8 -","- C55 H61.998 O7.998 -","- C330 H371.988 O47.988 -","6","0.333333","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.068","0.052","","","0.052","0.082","","","","","","1.15","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103811","27.19","0.02","27.19","0.02","11.06","0.01","90","","90","","120","","7081","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-formic acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-acetic acid","","- C56 H64 O8 -","- C57 H62.997 O7.998 -","- C342 H377.982 O47.988 -","6","0.333333","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.074","0.064","","","0.068","0.082","","","","","","1.45","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103812","27.24","0.02","27.24","0.02","10.96","0.01","90","","90","","120","","7043","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-propionic acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-propionic acid","","- C111 H126 O14 -","- C111.006 H120 O14.004 -","- C333.018 H360 O42.012 -","3","0.166667","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.084","0.061","","","0.058","0.092","","","","","","1.23","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103813","27.26","0.02","27.26","0.02","11","0.01","90","","90","","120","","7079","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-butyric acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-butyric acid","","- C112 H128 O14 -","- C112.008 H120 O14.004 -","- C336.024 H360 O42.012 -","3","0.166667","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.072","0.053","","","0.052","0.052","","","","","","1.08","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103814","27.21","0.02","27.21","0.02","10.93","0.01","90","","90","","120","","7008","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-valeric acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-valeric acid","","- C113 H130 O14 -","- C113.01 H120 O14.004 -","- C339.03 H360 O42.012 -","3","0.166667","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.078","0.07","","","0.051","0.053","","","","","","1.55","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103815","27.13","0.02","27.13","0.02","10.97","0.01","90","","90","","120","","6993","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-isobutyric acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-isobutyric acid","","- C112 H128 O14 -","- C112.008 H120 O14.004 -","- C336.024 H360 O42.012 -","3","0.166667","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.078","0.066","","","0.061","0.057","","","","","","1.23","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103816","27.28","0.02","27.28","0.02","10.98","0.01","90","","90","","120","","7077","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-hexanoic acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-hexanoic acid","","- C114 H132 O14 -","- C114.012 H120 O14.004 -","- C342.036 H360 O42.012 -","3","0.166667","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.084","0.076","","","0.051","0.055","","","","","","1.14","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103817","27.3","0.02","27.3","0.02","11.07","0.01","90","","90","","120","","7145","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-butyric acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-heptanoic acid","","- C115 H134 O14 -","- C115.014 H120 O14.004 -","- C345.042 H360 O42.012 -","3","0.166667","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.071","0.058","","","0.058","0.058","","","","","","1.28","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103818","27.3","0.02","27.3","0.02","11.2","0.01","90","","90","","120","","7229","10","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Dianins compound-octanoicacid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-octanoic acid","","- C116 H136 O14 -","- C116.016 H120 O14.004 -","- C348.048 H360 O42.012 -","3","0.166667","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.139","0.094","","","0.085","0.085","","","","","","1.28","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103819","27.19","0.02","27.19","0.02","11.097","0.01","90","","90","","120","","7105","10","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Dianins compound-trifluoroacetic acid","[4-p-hydroxyphenyl-2,2,4-trimethylchroman]-trifluoroacetic acid","","- C56 H61 F3 O8 -","- C55.998 H60 F2.997 O7.998 -","- C335.988 H360 F17.982 O47.988 -","6","0.333333","BM0059","Small, Ronald W. H.","An X-ray diffraction study of partially ordered electron density in clathrates of Dianin's compound that include simple carboxylic acids","Acta Crystallographica Section B","2003","59","1","141","148","10.1107/S0108768102022395","","","0.7107","MoKα","","0.133","0.091","","","0.083","0.083","","","","","","1.81","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104444","10.45516","0.00001","10.45516","0.00001","6.34126","0.000007","90","","90","","120","","600.299","","","","250","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","1","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2104445","10.45792","0.00001","10.45792","0.00001","6.341941","0.000007","90","","90","","120","","600.68","0.001","","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ca Mn7 O12 -","- Ca0.166667 Mn1.16667 O2 -","- Ca3 Mn21 O36 -","18","1","SN5079","Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Bieringer, M.; Margiolaki, I.; Suard, E.","Modulation of atomic positions in CaCu~<i>x~</i>Mn~7{-~<i>x</i>}O~12~ (<i>x</i> {łeq} 0.1)","Acta Crystallographica Section B","2009","65","5","535","542","10.1107/S0108768109025300","powder diffraction","","0.39996","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105064","10.7023","0.0002","10.7023","0.0002","32.0931","0.0015","90","","90","","120","","3183.44","0.17","84","1","84","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C72 H144 B6 F24 Fe3 N72 -","3","0.166667","PC5004","Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp","Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds","Acta Crystallographica Section B","2012","68","1","40","56","10.1107/S0108768111053298","","","0.71073","MoKα","","0.0254","0.0253","","","0.0664","0.0665","","","","","","0.965","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105740","24.719","0.002","24.719","0.002","4.6681","0.0004","90","","90","","120","","2470.2","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H6 B2 O2 S2 -","- C8 H6 B2 O2 S2 -","- C72 H54 B18 O18 S18 -","9","0.5","BI5017","Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof","Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes","Acta Crystallographica Section B","2014","70","1","157","171","10.1107/S2052520613034987","","","0.71073","MoKα","","0.0579","0.0533","","","0.19","0.1933","","","","","","1.293","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105963","4.808","0.001","4.808","0.001","16.022","0.003","90","","90","","120","","320.76","0.11","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Calcium Magnesium Carbonate","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Lattice-dynamical estimation of atomic displacement parameters in carbonates: Calcite and aragonite Ca C O3, dolomite Ca Mg (C O3)2, and magnesite Mg C O3","Acta Crystallographica Section B","1998","54","5","515","523","10.1107/S0108768197018181","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","190343","2020-10-21","18:00:00",""
"2106147","9.581","","9.581","","10.143","","90","","90","","120","","806.341","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Co Mo3 S4)3.25","","- Co4.86 Mo18 S24 -","- Co4.86 Mo18 S24 -","- Co4.86 Mo18 S24 -","1","0.0555556","","Guillevic, J.; Bars, O.; Grandjean, D.","Etude structurale de combinaisons sulfurees et seleniees du molybdene V. Structures cristallines de phases MX Mo3 S4 (M Ni, Co, Fe)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1338","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","145239","2020-10-21","18:00:00",""
"2106148","9.563","","9.563","","10.273","","90","","90","","120","","813.61","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Fe Mo3 S4)3.25","","- Fe3.96 Mo18 S24 -","- Fe3.96 Mo18 S24 -","- Fe3.96 Mo18 S24 -","1","0.0555556","","Guillevic, J.; Bars, O.; Grandjean, D.","Etude structurale de combinaisons sulfurees et seleniees du molybdene V. Structures cristallines de phases MX Mo3 S4 (M Ni, Co, Fe)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1338","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","145240","2020-10-21","18:00:00",""
"2106149","9.478","","9.478","","10.21","","90","","90","","120","","794.31","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Mo3 Ni S4)3.25","","- Mo18 Ni4.14 S24 -","- Mo18 Ni4.14 S24 -","- Mo18 Ni4.14 S24 -","1","0.0555556","","Guillevic, J.; Grandjean, D.; Bars, O.","Etude structurale de combinaisons sulfurees et seleniees du molybdene V. Structures cristallines de phases MX Mo3 S4 (M Ni, Co, Fe)","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1338","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","145241","2020-10-21","18:00:00",""
"2106182","15.293","","15.293","","10.449","","90","","90","","120","","2116.37","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K7 (Th6 F31)","","- F31 K7 Th6 -","- F31 K7 Th6 -","- F93 K21 Th18 -","3","0.166667","","Brunton, G.","The crystal structure of K7 Th6 F31","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2290","2292","","","","","","","","","","","","","","","","","","","","","","has coordinates","146767","2020-10-21","18:00:00",""
"2106235","10.989","","10.989","","34.63","","90","","90","","120","","3621.59","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","La2 Mg3 (N O3)12 (H2 O)24","","- H48 La2 Mg3 N12 O60 -","- H48 La2 Mg3 N12 O60 -","- H144 La6 Mg9 N36 O180 -","3","0.166667","","Anderson, M.R.; Jenkin, G.T.; White, J.W.","A neutron diffraction study of lanthanum magnesium nitrate La2 Mg3 (N O3)12 (H2 O)24","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3933","3936","","","","","","","","","","","","","","","","","","","","","","has coordinates","148383","2020-10-21","18:00:00",""
"2106264","12.748","","12.748","","7.841","","90","","90","","120","","1103.54","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Fe (S O3)","","- Fe O3 S -","- Fe O3 S -","- Fe18 O54 S18 -","18","1","","Bugli, G.","Structure cristalline du sulfite de fer(II) anhydre Fe S O3","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1297","1300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106463","14.04","","14.04","","15.05","","90","","90","","120","","2569.22","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga40.392 Mo7.396 -","- Ga40.392 Mo7.396 -","- Ga121.176 Mo22.188 -","3","0.166667","","Yvon, K.","Mo8 Ga41 another example of ten-coordination of the transition element","Acta Crystallographica B (24,1968-38,1982)","1975","31","","117","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106464","9.713","","9.713","","10.213","","90","","90","","120","","834.432","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cu1.38 Mo3 S4 -","- Cu1.38 Mo3 S4 -","- Cu8.28 Mo18 S24 -","6","0.333333","","Yvon, K.; Paoli, A.; Fluekiger, R.; Chevrel, R.","Positional disorder and non-stoichiometry in Cu2-x Mo3 S4 compounds. I. Single-crystal studies of Cu2-x Mo3 S4 (x=1.1, 0.62, 0.53, 0.17) at room temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3066","3072","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106465","9.735","","9.735","","10.221","","90","","90","","120","","838.872","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cu1.47 Mo3 S4 -","- Cu1.47 Mo3 S4 -","- Cu8.82 Mo18 S24 -","6","0.333333","","Yvon, K.; Paoli, A.; Fluekiger, R.; Chevrel, R.","Positional disorder and non-stoichiometry in Cu2-x Mo3 S4 compounds. I. Single-crystal studies of Cu2-x Mo3 S4 (x=1.1, 0.62, 0.53, 0.17) at room temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3066","3072","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106466","9.773","","9.773","","10.255","","90","","90","","120","","848.247","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cu1.83 Mo3 S4 -","- Cu1.83 Mo3 S4 -","- Cu10.98 Mo18 S24 -","6","0.333333","","Yvon, K.; Paoli, A.; Fluekiger, R.; Chevrel, R.","Positional disorder and non-stoichiometry in Cu2-x Mo3 S4 compounds. I. Single-crystal studies of Cu2-x Mo3 S4 (x=1.1, 0.62, 0.53, 0.17) at room temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3066","3072","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106469","8.701","","8.701","","16.526","","90","","90","","120","","1083.52","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Rh2 Sm3 -","- Rh2 Sm3 -","- Rh18 Sm27 -","9","0.5","","le Roy, J.; Moreau, J.M.; Paccard, D.; Parthe, E.","r3 t2 compounds(r = rare earth or Y, t = Rh,Pd,Pt) with the rhombohedral Er3 Ni2 structure type","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2414","2417","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106503","11.821","","11.821","","10.889","","90","","90","","120","","1317.73","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Tl (N O3)3 (H2 O)3","","- H6 N3 O12 Tl -","- H6 N3 O12 Tl -","- H36 N18 O72 Tl6 -","6","0.333333","","Faggiani, R.; Brown, I.D.","Thallium(III) trinitrate trihydrate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1675","1676","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106553","9.32","","9.32","","14.486","","90","","90","","120","","1089.71","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Te4 O9","","- O9 Te4 -","- O9 Te4 -","- O54 Te24 -","6","0.333333","","Lindqvist, O.; Mark, W.; Moret, J.","The crystal structure of Te4 O9","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1255","1259","","","","","","","","","","","","","","","","","","","","","","has coordinates","151271","2020-10-21","18:00:00",""
"2106606","6.9233","","6.9233","","11.1491","","90","","90","","120","","462.804","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(N H4)2 (H3 I O6)","","- H11 I N2 O6 -","- H11 I N2 O6 -","- H33 I3 N6 O18 -","3","0.166667","","Tichy, K.; Rueegg, A.; Benes, J.","Neutron diffraction study of diammonium trihydrogen periodate, (N H4)2 H3 I O6, and its deuterium analogue, (N D4)2 D3 I O6","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1028","1032","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106660","14.005","","14.005","","9.405","","90","","90","","120","","1597.55","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li2 (Cr O4)","","- Cr Li2 O4 -","- Cr Li2 O4 -","- Cr18 Li36 O72 -","18","1","","Brown, I.D.; Faggiani, R.","Refinement of the crystal structure of lithium chromate","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2364","2365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106870","13.344","","13.344","","5.744","","90","","90","","120","","885.762","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pu3 Pd4","","- Pd4 Pu3 -","- Pd4 Pu3 -","- Pd24 Pu18 -","6","0.333333","","Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.","The crystal structure of Pu Pd4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","564","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","161074","2020-10-21","18:00:00",""
"2106993","10.921","","10.921","","10.765","","90","","90","","120","","1111.91","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Co (N H3)6 Co (C N)6","","- C6 H18 Co2 N12 -","- C6 H18 Co2 N12 -","- C18 H54 Co6 N36 -","3","0.166667","","Iwata, M.; Saito, Y.","The crystal structure of hexamminecobalt(III) hexacyanocobaltate(III): an accurate determination","Acta Crystallographica B (24,1968-38,1982)","1973","29","","822","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","165625","2020-10-21","18:00:00",""
"2107202","10.871","","10.871","","19.18","","90","","90","","120","","1962.99","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Mn44.1 Si8.9 -","- Mn44.1 Si8.9 -","- Mn132.3 Si26.7 -","3","0.166667","","Shoemaker, C.B.; Shoemaker, D.P.","Refinement of an R phase, Mn85.5 Si14.5","Acta Crystallographica B (24,1968-38,1982)","1978","34","","701","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107213","6.591","","6.591","","18.627","","90","","90","","120","","700.771","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Na Mn Cl3","","- Cl3 Mn Na -","- Cl3 Mn Na -","- Cl18 Mn6 Na6 -","6","0.333333","","van Loon, C.J.J.; Verschoor, G.C.","The crystal structure of Na Mn Cl3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","1224","1228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107225","10.968","","10.968","","10.788","","90","","90","","120","","1123.9","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","((N H3)5 (H2 O) Co) (Cr (C N)6)","","- C6 H17 Co Cr N11 O -","- C6 H16.998 Co Cr N10.9998 O1.0002 -","- C18 H50.994 Co3 Cr3 N32.9994 O3.0006 -","3","0.166667","","Figgis, B.N.; Kucharski, E.S.; Vrtis, M.","Structure of pentaammineaquacobalt(III) hexacyanochromate (III), (Co(NH3)5(H2O))(Cr(CN)6), by neutron diffraction at 2.0 K","Acta Crystallographica B (39,1983-)","1991","47","","858","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107311","10.278","","10.278","","9.6069","","90","","90","","120","","878.883","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pr7 O12","","- O12 Pr7 -","- O12 Pr7 -","- O36 Pr21 -","3","0.166667","","von Dreele, R.B.; Eyring, L.; Bowman, A.L.; Yarnell, J.L.","Refinement of the crystal structure of Pr7 O12 by powder neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1975","31","","971","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","172034","2020-10-21","18:00:00",""
"2107327","9.304","","9.304","","35.366","","90","","90","","120","","2651.28","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mo9 Tl2 S11","","- Mo9 S11 Tl2 -","- Mo9 S11 Tl2 -","- Mo54 S66 Tl12 -","6","0.333333","","Potel, M.; Chevrel, R.; Sergent, M.","Structure de Tl2 Mo9 S11 : Clusters Mo12 et Mo6 isoles","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1319","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","172377","2020-10-21","18:00:00",""
"2107365","19.804","","19.804","","12.359","","90","","90","","120","","4197.78","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Bi4 Cl2 S5 -","- Bi4 Cl1.99944 S4.99968 -","- Bi60 Cl29.9916 S74.9952 -","15","0.833333","","Kraemer, V.","Structure of Bismuth Chloride Sulphide Bi4 Cl2 S5","Acta Crystallographica B (24,1968-38,1982)","1979","35","","139","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107369","9.36","","9.36","","36.48","","90","","90","","120","","2767.82","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Ca13 Si10 O28 F10 (H2 O)6","","- Ca13 F10 H12 O34 Si10 -","- Ca13 F10 O34 Si10 -","- Ca39 F30 O102 Si30 -","3","0.166667","","Merlino, S.","The crystal structure of zeophyllite","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2726","2732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107414","11.164","","11.164","","11.336","","90","","90","","120","","1223.57","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K2 Ge (I O3)6","","- Ge I6 K2 O18 -","- Ge I6 K2 O18 -","- Ge3 I18 K6 O54 -","3","0.166667","","Schellhaas, F.; Hartl, H.; Frydrych, R.","Die Kristallstruktur von Kaliumhexajodatogermanat(IV)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2834","2838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107479","5.077","0.0004","5.077","0.0004","13.9621","0.0014","90","","90","","120","","311.67","0.05","298","2","298","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cr Fe O3 -","- Cr Fe O3 -","- Cr6 Fe6 O18 -","6","0.333333","BP5080","Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi","At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO~3~","Acta Crystallographica Section B","2015","71","5","555","561","10.1107/S2052520615015838","","","0.71073","MoKα","","0.0236","0.0202","","","0.0565","0.0592","","","","","","1.114","","","","has coordinates,has Fobs","178106","2020-10-21","18:00:00",""
"2108194","5.7768","0.0003","5.7768","0.0004","22.0983","0.0012","90","0.005","90","0.004","120","0.006","638.65","0.08","293","","293","","","","","","","","synthesised by authors","5","R -3 :H","-R 3","148","","","","- H7.84 K1.29 N1.71 O8 S2 -","- H7.7999 K1.3 N1.7 O8 S2 -","- H23.3997 K3.9 N5.1 O24 S6 -","3","0.166667","","Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A.","New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase","Acta Crystallographica Section B","2017","73","6","1105","1113","10.1107/S2052520617012847","","x-ray","0.71073","MoKα","","0.0272","0.0272","","","0.0382","0.0382","","","","2.46","2.46","2.46","","","","has coordinates,has Fobs","205696","2020-10-21","18:00:00",""
"2108569","14.896","0.002","14.896","0.002","16.0338","0.001","90","","90","","120","","3081.1","0.6","293","","293","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Cd41 Ir8 -","- Cd41 Ir8 -","- Cd123 Ir24 -","3","0.166667","DK5085","Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim","Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system","Acta Crystallographica Section B","2020","76","1","","","10.1107/S2052520619015488","","x-ray","0.7107","MoKα","","0.0386","0.0314","","","0.0748","0.0806","","","","1.09","1.09","1.08","","","","has coordinates,has Fobs","246864","2020-10-21","18:00:00",""
"2108957","52.879","0.0014","52.879","0.0014","5.36308","0.00013","90","","90","","120","","12987.1","0.6","298","","298","","","","","","","","","3","R -3 :H","-R 3","148","<i>N</i>,<i>N</i>',<i>N</i>''-Tributyldiindolocarbazole","5,8,14-Tributyldiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole","","- C36 H39 N3 -","- C36 H39 N3 -","- C648 H702 N54 -","18","1","AW5063","Vilche, Anna; Bujaldón, Roger; Alcobé, Xavier; Velasco, Dolores; Puigjaner, Cristina","Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first <i>N</i>,<i>N</i>',<i>N</i>''-trialkyldiindolocarbazole","Acta Crystallographica Section B","2022","78","2","253","260","10.1107/S2052520622001858","powder diffraction","","1.5418","Cukα","","","","","","","","","0.0354","4.0539","","","","","","","has coordinates","274413","2022-04-07","01:45:24",""
"2108983","10.2003","0.0008","10.2003","0.0008","29.408","0.004","90","","90","","120","","2649.9","0.5","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H30 Co Ir2 K3 N6 O30 -","- C12 H18 Co Ir2 K3 N6 O30 -","- C36 H54 Co3 Ir6 K9 N18 O90 -","3","0.166667","YH5018","Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey","Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~]","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S205252062200405X","","x-ray","0.71073","MoKα","","0.0205","0.0184","","","0.0417","0.0424","","","","","","1.111","","","","has coordinates,has Fobs","275738","2022-06-02","02:14:57",""
"2200024","17.0355","0.0009","17.0355","0.0009","12.3934","0.0005","90","","90","","120","","3114.8","0.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","aqua(malonato)cadmium(II) hydrate","","- C3 H6 Cd O6 -","- C3 H6 Cd O6 -","- C54 H108 Cd18 O108 -","18","1","CF6007","Naumov, Pancě; Ristova, Mirjana; Sǒptrajanov, Bojan; Kim, Moon-Jib; Lee, Han-Jun; Ng, Seik Weng","A rhombohedral polymorph of aqua(malonato)cadmium(II) hydrate","Acta Crystallographica Section E","2001","57","1","m14","m16","10.1107/S1600536800018833","","","0.71073","MoKα","","0.034","0.03","","","","0.088","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200387","13.2","0.002","13.2","0.002","18.874","0.005","90","","90","","120","","2848","1","210","2","210","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24.15 N4 O6.075 -","- C18 H24.15 N4 O6.075 -","- C108 H144.9 N24 O36.45 -","6","0.333333","BT6057","Blake, Alexander J.; Doble, Dan M. J.; Li, Wan-Sheung; Schröder, Martin","Tris(2-succinimidoethyl)amine hydrate (1/0.075)","Acta Crystallographica Section E","2001","57","8","o690","o691","10.1107/S1600536801011047","","","0.71073","MoKα","","0.125","0.071","","","","0.144","","","","","","1.28","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2200718","26.198","0.005","26.198","0.005","11.024","0.007","90","","90","","120","","6552","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","(R/S)-3-(3-Methyl-2-butylamino)-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide hydrate","","- C11 H18 N4 O3 S -","- C11 H18 N4 O3 S -","- C198 H324 N72 O54 S18 -","18","1","OB6078","Dupont, Léon; De Tullio, Pascal; Tinant, Bernard; Pirotte, Bernard","(<i>R</i>/<i>S</i>)-3-(3-Methyl-2-butylamino)-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide monohydrate","Acta Crystallographica Section E","2001","57","11","o1050","o1051","10.1107/S1600536801016622","","","1.5418","CuKα","","0.1055","0.0774","","","","0.2508","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200723","11.7436","0.0017","11.7436","0.0017","30.932","0.008","90","","90","","120","","3694.4","1.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H23.1 Cl4 N6 O2.55 Ru Zn -","- C12 H23.1 Cl4 N6 O2.55 Ru Zn -","- C72 H138.6 Cl24 N36 O15.3 Ru6 Zn6 -","6","0.333333","OB6083","Anzellotti, Atilio; Briceño, Alexander","Hexakis(acetonitrile)ruthenium(II) tetrachlorozincate 2.55-hydrate","Acta Crystallographica Section E","2001","57","11","m538","m540","10.1107/S1600536801017469","","","0.71069","MoKα","","0.0893","0.0583","","","","0.1567","","","","","","1.021","","","","has coordinates","194389","2020-10-21","18:00:00",""
"2200804","11.3398","0.0006","11.3398","0.0006","17.3584","0.0011","90","","90","","120","","1933.09","0.19","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","(MeCN)6Fe (SbF6)2","hexakis(acetonitrile) iron(II) hexafluoroantimonate","","- C12 H18 F12 Fe N6 Sb2 -","- C12 H18 F12 Fe N6 Sb2 -","- C36 H54 F36 Fe3 N18 Sb6 -","3","0.166667","YA6066","Brennessel, William W.; Brooks, Neil R.; Mehn, Mark P.; Que Jr, Lawrence; Young Jr, Victor G.","Hexakis(acetonitrile)iron(II) hexafluoroantimonate","Acta Crystallographica Section E","2001","57","11","m545","m546","10.1107/S1600536801017585","","","0.71073","MoKα","","0.025","0.024","","","","0.069","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201141","13.7474","0.0003","13.7474","0.0003","31.9658","0.0014","90","","90","","120","","5231.9","0.3","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H72 I3 N12 O6 Tb -","- C66 H72 I3 N12 O6 Tb -","- C198 H216 I9 N36 O18 Tb3 -","3","0.166667","NA6149","Clegg, William; Bourhill, Grant; Sage, Ian","Hexakis(antipyrine-<i>O</i>)terbium(III) triiodide at 160K: confirmation of a centrosymmetric structure for a brilliantly triboluminescent complex","Acta Crystallographica Section E","2002","58","4","m159","m161","10.1107/S1600536802005093","","","0.71073","MoKα","","0.0224","0.0185","","","0.0459","0.0474","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201216","21.8715","0.0007","21.8715","0.0007","7.8297","0.0003","90","","90","","120","","3243.64","0.19","150","1","150","1","","","","","","","","5","R -3 :H","-R 3","148","","meso-1,2-(2-Hydroxyphenyl)-1,2-ethylenediammonium dichloride","","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","- C126 H162 Cl18 N18 O18 -","9","0.5","YA6093","Bryant, Craig; Chin, Jik; Lough, Alan J.; Alhakimi, Gamil","<i>meso</i>-1,2-(2-Hydroxyphenyl)-1,2-ethylenediammonium dichloride","Acta Crystallographica Section E","2002","58","4","o456","o457","10.1107/S1600536802004920","","","0.71073","MoKα","","0.028","0.026","","","0.067","0.068","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201664","25.5695","0.0017","25.5695","0.0017","5.1934","0.0005","90","","90","","120","","2940.5","0.4","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","5-trifluoromethyl-uracil","","","- C5 H3 F3 N2 O2 -","- C5 H3 F3 N2 O2 -","- C90 H54 F54 N36 O36 -","18","1","WN6118","Twamley, Brendan; Gupta, O.D.; Shreeve, Jean'ne M.","5-(Trifluoromethyl)uracil","Acta Crystallographica Section E","2002","58","9","o1040","o1042","10.1107/S1600536802015295","","","0.71073","MoKα","","0.079","0.0494","","","0.0942","0.1049","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202019","12.928","0.002","12.928","0.002","21.981","0.005","90","","90","","120","","3181.6","1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H48 N24 O24 Pt W6 -","- C8 H48 N24 O24 Pt W6 -","- C24 H144 N72 O72 Pt3 W18 -","3","0.166667","LH6036","Lee, Uk; Jang, Soon‒Jung; Joo, Hea‒Chung; Park, Ki‒Min","Anhydrous octaguanidinium hexatungstoplatinate(IV)","Acta Crystallographica Section E","2003","59","3","m116","m118","10.1107/S160053680300360X","","","0.71069","MoKα","","0.0929","0.0486","","","0.0849","0.1056","","","","","","1.179","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202306","10.376","0.0006","10.376","0.0006","22.021","0.0012","90","","90","","120","","2053.2","0.2","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","hexakisdimethylsulfoxidealuminium(III) trichloride","","- C12 H36 Al Cl3 O6 S6 -","- C12 H36 Al Cl3 O6 S6 -","- C36 H108 Al3 Cl9 O18 S18 -","3","0.166667","BR6120","Dan Boström; Maria Clausén; Malin Sandström","Hexakis(dimethyl sulfoxide-κ<i>O</i>)aluminium(III) trichloride","Acta Crystallographica Section E","2003","59","10","m934","m935","10.1107/S1600536803020464","","","0.71073","MoKα","","0.027","0.0256","","","0.0668","0.0678","","","","","","1.109","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2202874","22.3211","0.0008","22.3211","0.0008","17.222","0.0009","90","","90","","120","","7431","0.5","120","0.2","120","0.2","","","","","","","","4","R -3 :H","-R 3","148","","6-(4-fluorophenyl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline","","- C20 H14 F N3 -","- C20 H14 F N3 -","- C360 H252 F18 N54 -","18","1","OM6186","Low, John Nicolson; Insuasty, Braulio; Torres, Harlen; Cobo, Justo","6-(4-Fluorophenyl)-5,6-dihydrobenzimidazo[1,2-<i>c</i>]quinazoline","Acta Crystallographica, Section E: Structure Reports Online","2003","59","11","o1801","o1803","10.1107/S1600536803023663","","","0.71073","MoKα","","0.0905","0.0569","","","0.1463","0.1624","","","","","","1.041","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00",""
"2203563","14.217","0.002","14.217","0.002","15.852","0.003","90","","90","","120","","2774.8","0.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","Bis(triphenyltelluronium) hexachlorotellurate","","- C36 H30 Cl6 Te3 -","- C36 H30 Cl6 Te3 -","- C108 H90 Cl18 Te9 -","3","0.166667","CI6357","Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgrén, Markku","Bis(triphenyltelluronium) hexachlorotellurate","Acta Crystallographica Section E","2004","60","5","o798","o800","10.1107/S1600536804008050","","","0.71073","MoKα","","0.0373","0.032","","","0.0811","0.0828","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203694","30.989","0.004","30.989","0.004","6.5","0.001","90","","90","","120","","5405.8","1.3","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","paracumylphenol","4-(2-phenylisopropyl)phenol","","- C15 H16 O -","- C15 H16 O -","- C270 H288 O18 -","18","1","AC6084","Abdelhak, Ettahiri; Mostafa, Abboudi; Merle, Daphne; Perrin, Monique; Thozet, Alain","4-(2-Phenylisopropyl)phenol","Acta Crystallographica Section E","2004","60","6","o954","o955","10.1107/S1600536804010621","","","0.71069","MoKα","","0.0872","0.0493","","","0.1096","0.1285","","","","","","0.942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204190","22.4062","0.0007","22.4062","0.0007","33.854","0.002","90","","90","","120","","14719","1.1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","[tris(2,3,4,5-tetrachloro-6-(4,8-di-tert-butyl-2,10- dimethyl-6-oxo-12H-5,7-dioxa-6λ^5^-phosphadibenzo[a,d]cycloocten-6- yloxy)phenoxido]aluminium benzene 0.25-solvate","","- C88.5 H91.5 Al Cl12 O15 P3 -","- C88.5 H91.5 Al Cl12 O15 P3 -","- C531 H549 Al6 Cl72 O90 P18 -","6","0.333333","HG6086","Satish Kumar, N.; Vittal, Jagadese J.; Kumara Swamy, K. C.","A hexacoordinated aluminium complex with a new type of seven-membered chelate ring involving a cyclic phosphate ester","Acta Crystallographica Section E","2004","60","9","m1321","m1323","10.1107/S1600536804019592","","","0.71073","MoKα","","0.0581","0.0457","","","0.1349","0.1423","","","","","","1.072","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204289","10.233","0.005","10.233","0.005","44.494","0.005","90","","90","","120","","4035","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","Bis(DL-methioninium) sulfate","Bis(DL-methioninium) sulfate","","- C10 H24 N2 O8 S3 -","- C10 H24 N2 O8 S3 -","- C90 H216 N18 O72 S27 -","9","0.5","CI6427","S. Ramaswamy; B. Sridhar; V. Ramakrishnan; R. K. Rajaram","Bis(<small>DL</small>-methioninium) sulfate","Acta Crystallographica Section E","2004","60","10","o1691","o1693","10.1107/S1600536804021324","","","0.71069","MoKα","","0.0719","0.0608","","","0.1685","0.178","","","","","","1.134","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204791","27.3044","0.0005","27.3044","0.0005","8.3804","0.0002","90","","90","","120","","5410.79","0.19","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","[1,5-Dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl]imidazolium chloride","","- C7 H13 Cl N6 O -","- C7 H13 Cl N6 O -","- C126 H234 Cl18 N108 O18 -","18","1","RZ6022","Mills, Allison M.; Wu, Jian-Zhong; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.","(1,5-Dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)imidazolium chloride","Acta Crystallographica Section E","2004","60","12","o2482","o2484","10.1107/S1600536804030545","","","0.71073","MoKα","","0.0597","0.0403","","","0.1003","0.1061","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205573","12.415","0.0007","12.415","0.0007","28.03","0.003","90","","90","","120","","3741.5","0.5","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(μ~4~-2-amino-2-methylpropane-1,3-diolato)hexachloroheptairon(II,III) acetonitrile disolvate monohydrate","","- C28 H62 Cl6 Fe7 N8 O13 -","- C28 H59.94 Cl6 Fe7 N8 O13 -","- C84 H179.82 Cl18 Fe21 N24 O39 -","3","0.166667","OM6230","Gaël Labat; Colette Boscovic; Hans U. Güdel","Hexakis(μ~4~-2-amino-2-methylpropane-1,3-diolato)hexachloroheptairon(II,III) acetonitrile disolvate monohydrate","Acta Crystallographica Section E","2005","61","4","m611","m613","10.1107/S160053680500557X","","","0.71073","MoKα","","0.114","0.0652","","","0.156","0.1688","","","","","","0.883","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206075","40.0008","0.0012","40.0008","0.0012","12.093","","90","","90","","120","","16757.2","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hexacarbonylhexakis(μ-3,4-dimethylbenzenethiolato)triiron(II)","","- C54 H54 Fe3 O6 S6 -","- C54 H54 Fe3 O6 S6 -","- C648 H648 Fe36 O72 S72 -","12","0.666667","SU6189","Hu, Mingqiang; Ma, Chengbing; Chen, Changneng","Hexacarbonylhexakis(μ-3,4-dimethylbenzenethiolato)triiron(II)","Acta Crystallographica Section E","2005","61","6","m1045","m1047","10.1107/S1600536805013024","","","0.71073","MoKα","","0.0584","0.049","","","0.1018","0.1064","","","","","","1.087","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206521","13.878","0.001","13.878","0.001","60.239","0.007","90","","90","","120","","10047.6","1.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","Tetra-μ~3~iodo-tetrakis[(tri-tert-butylphosphine)copper(I)]","","- C48 H108 Cu4 I4 P4 -","- C48 H108 Cu4 I4 P4 -","- C288 H648 Cu24 I24 P24 -","6","0.333333","OM6250","Medina, Iliana; Mague, Joel T.; Fink, Mark J.","Tetra-μ~3~-iodo-tetrakis[(tri-<i>tert</i>-butylphosphine)copper(I)]","Acta Crystallographica Section E","2005","61","8","m1550","m1552","10.1107/S1600536805021744","","","0.71073","MoKα","","0.0318","0.027","","","0.0551","0.0566","","","","","","1.105","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206540","33.0359","0.0002","33.0359","0.0002","9.0191","0.0003","90","","90","","120","","8524.4","0.3","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43.22 H30.44 N8 O3.22 Zn -","- C43.22 H30.44 N8 O3.22 Zn -","- C388.98 H273.96 N72 O28.98 Zn9 -","9","0.5","SG6017","Sumod George; Israel Goldberg","[5,10,15,20-Tetrakis(4-pyridyl)porphyrinato]zinc(II) acetic acid clathrate, and its unique polymeric honeycomb architecture","Acta Crystallographica Section E","2005","61","8","m1441","m1443","10.1107/S1600536805018556","","","0.71073","MoKα","","0.0898","0.0546","","","0.1447","0.1646","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206574","7.4864","0.0012","7.4864","0.0012","20.88","0.006","90","","90","","120","","1013.5","0.4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","Yttrium iodide","Yttrium triiodide","","- I3 Y -","- I3 Y -","- I18 Y6 -","6","0.333333","WM6075","Jongen, Liesbet; Meyer, Gerd","Yttrium triiodide, YI~3~","Acta Crystallographica Section E","2005","61","8","i151","i152","10.1107/S1600536805019847","","","0.71073","MoKα","","0.0347","0.0317","","","0.0869","0.0897","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206638","23.4523","0.0015","23.4523","0.0015","25.4022","0.0018","90","","90","","120","","12099.7","1.4","170","2","170","2","","","","","","","","4","R -3 :H","-R 3","148","Tris(o-methylthiophenyl)phosphine","Tris[2-(methylsulfanyl)phenyl]phosphine","","- C21 H21 P S3 -","- C21 H21 P S3 -","- C504 H504 P24 S72 -","24","1.33333","BT6715","Uttecht, Jan-Georg; Tuczek, Felix; Näther, Christian","Tris[2-(methylsulfanyl)phenyl]phosphine","Acta Crystallographica Section E","2005","61","9","o2916","o2917","10.1107/S1600536805025602","","","0.71073","MoKα","","0.0688","0.0539","","","0.1279","0.1352","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206800","33.9602","0.0007","33.9602","","3.9152","0.0001","90","","90","","120","","3910.43","0.13","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","catena-Poly[[[bis(3-aminopyridine-κN)copper(II)]-di-μ-chloro] hydrate]","","- C10 H14 Cl2 Cu N4 O -","- C10 H14 Cl2 Cu N4 O -","- C90 H126 Cl18 Cu9 N36 O9 -","9","0.5","TK6244","Lah, Nina; Leban, Ivan","<i>catena</i>-Poly[[[bis(3-aminopyridine-κ<i>N</i>)copper(II)]-di-μ-chloro] hydrate]","Acta Crystallographica Section E","2005","61","9","m1708","m1710","10.1107/S1600536805024578","","","0.71073","MoKα","","0.087","0.069","","","0.197","0.222","","","","","","1.25","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2206824","13.032","0.004","13.032","0.004","17.558","0.007","90","","90","","120","","2582.4","1.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hexakis(μ~2~-4-amino-4H-1,2,4-triazole)hexachlorotricadmium(II)","","- C12 H24 Cd3 Cl6 N24 -","- C12 H24 Cd3 Cl6 N24 -","- C36 H72 Cd9 Cl18 N72 -","3","0.166667","XU6036","Xuan-Wen, Liu","Hexakis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole)hexachlorotricadmium(II)","Acta Crystallographica Section E","2005","61","9","m1777","m1778","10.1107/S1600536805025468","","","0.71073","MoKα","","0.038","0.032","","","0.086","0.09","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206950","10.7528","0.0007","10.7528","0.0007","22.281","0.003","90","","90","","120","","2231","0.4","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sufoxide-κO)iron(III) tribromide","","- C12 H36 Br3 Fe O6 S6 -","- C12 H36 Br3 Fe O6 S6 -","- C36 H108 Br9 Fe3 O18 S18 -","3","0.166667","FL6188","Martínez-Alanis, Paulina R.; Toscano, Rubén A.; Castillo, Ivan","Hexakis(dimethyl sufoxide-κ<i>O</i>)iron(III) tribromide","Acta Crystallographica Section E","2005","61","10","m2179","m2180","10.1107/S1600536805030886","","","0.71073","MoKα","","0.0333","0.026","","","0.0649","0.0668","","","","","","0.993","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207161","11.698","0.001","11.698","","11.661","0.001","90","","90","","120","","1381.94","0.17","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","Cobalt(II) formate hydroxide","poly[μ~3~-formato-μ~3~-hydroxo-cobalt(II)]","","- C H2 Co O3 -","- C H2 Co O3 -","- C18 H36 Co18 O54 -","18","1","BT6766","Fu, Yun-Long; Ren, Jia-Lin; Xu, Zhi-Wei; Ng, Seik Weng","Cobalt(II) formate hydroxide","Acta Crystallographica Section E","2005","61","11","m2395","m2396","10.1107/S1600536805033817","","","0.71073","MoKα","","0.033","0.031","","","0.076","0.077","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207373","8.3","0.002","8.3","0.002","22.469","0.005","90","","90","","120","","1340.5","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","lithium sodium potassium dichromate tris(phosphate)","Li~2.5~Na~0.34~K~0.16~Cr~2~(PO~4~)~3~","","- Cr2 K0.16 Li2.5 Na0.34 O12 P3 -","- Cr2 K0.155 Li2.499 Na0.345 O12 P3 -","- Cr12 K0.93 Li14.994 Na2.07 O72 P18 -","6","0.333333","WM6082","Kouass, Salah; Boughzala, Habib","NASICON-type Li~2.5~K~0.16~Na~0.34~Cr~2~(PO~4~)~3~","Acta Crystallographica Section E","2005","61","11","i231","i233","10.1107/S1600536805022269","","","0.71073","MoKα","","0.0311","0.0247","","","0.0698","0.0716","","","","","","1.127","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2207806","20.7083","0.0011","20.7083","0.0011","18.2954","0.001","90","","90","","120","","6794.6","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","2-Amino-4-(3-methyl-3-p-xylylcyclobutyl)-1,3-thiazole","","- C16 H20 N2 S -","- C16 H20 N2 S -","- C288 H360 N36 S18 -","18","1","IS6162","Nezihe Çalıs̨kan; Cemile Daĝ; Mustafa Serkan Soylu; Alaaddin Cukurovali; Nurettin Aykut Koksal","2-Amino-4-(3-methyl-3-<i>p</i>-xylylcyclobutyl)-1,3-thiazole","Acta Crystallographica Section E","2006","62","1","o174","o176","10.1107/S160053680504050X","","","0.71073","MoKα","","0.0514","0.0387","","","0.0951","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208133","14.891","0.002","14.891","","13.296","0.003","90","","90","","120","","2553.3","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris(ethyldithiocarbamato-κ^2^S,S')cobalt(III)","","- C9 H18 Co N3 S6 -","- C9 H18 Co N3 S6 -","- C54 H108 Co6 N18 S36 -","6","0.333333","NG6274","Gui-Ling Zhang; Yan-Tuan Li; Zhi-Yong Wu","Tris(ethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cobalt(III)","Acta Crystallographica Section E","2006","62","2","m350","m351","10.1107/S1600536806002108","","","0.71073","MoKα","","0.0687","0.0529","","","0.1509","0.1885","","","","","","1.204","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208449","15.8296","0.001","15.8296","0.001","10.7833","0.0006","90","","90","","120","","2340","0.2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","Heptapraseodymium iron dodecaiodide","","- Fe I12 Pr7 -","- Fe I12 Pr7 -","- Fe3 I36 Pr21 -","3","0.166667","WM6136","Palasyuk, Andriy; Pantenburg, Ingo; Meyer, Gerd","Praseodymium dodecaiodo-ferro-<i>octahedro</i>-hexapraseodymium, Pr~7~I~12~Fe","Acta Crystallographica Section E","2006","62","3","i61","i63","10.1107/S1600536806005113","","","0.71073","MoKα","","0.0532","0.0463","","","0.0956","0.0994","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208613","26.947","0.002","26.947","0.002","30.741","0.002","90","","90","","120","","19332","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","diphenylbis(triphenylsilyl)silane","","- C48 H40 Si3 -","- C48 H40 Si3 -","- C864 H720 Si54 -","18","1","HG2016","Nordschild, Simon; Auner, Norbert; Bolte, Michael","A trigonal polymorph of diphenylbis(triphenylsilyl)silane","Acta Crystallographica Section E","2006","62","4","o1426","o1427","10.1107/S1600536806008038","","","0.71073","MoKα","","0.2514","0.1054","","","0.2349","0.3101","","","","","","0.895","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209903","42.524","0.003","42.524","0.003","8.427","0.0013","90","","90","","120","","13197","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","2,4,6-Tri(2,4,6-tribromophenoxy)-1,3,5-triazine","","- C21 H6 Br9 N3 O3 -","- C21 H6 Br9 N3 O3 -","- C378 H108 Br162 N54 O54 -","18","1","IS2064","Feng Li; Hong-Quan Jiang; Xue-Mei Li; Shu-Sheng Zhang","2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine","Acta Crystallographica Section E","2006","62","8","o3303","o3304","10.1107/S1600536806026134","","","0.71073","MoKα","","0.0939","0.0439","","","0.0908","0.1048","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210374","20.765","0.001","20.765","0.001","10.453","0.001","90","","90","","120","","3903.3","0.5","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris[N-2-(nitrobenzylideneamino)ethyl]amine","","- C27 H27 N7 O6 -","- C27 H27 N7 O6 -","- C162 H162 N42 O36 -","6","0.333333","SJ2093","McKee, Vickie; Morgan, Grace G,; Nelson, Jane","Tris[2-(2-nitrobenzylideneamino)ethyl]amine","Acta Crystallographica Section E","2006","62","9","o3747","o3749","10.1107/S1600536806030492","","","0.71073","MoKα","","0.0724","0.0467","","","0.1068","0.1184","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210651","26.8141","0.0013","26.8141","0.0013","10.8765","0.0011","90","","90","","120","","6772.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","Dianin's compound trichloroacetonitrile clathrate","4-(2,2,4-trimethylchroman-4-yl)phenol‒trichloroacetonitrile (6/1)","","- C110 H120 Cl3 N O12 -","- C110 H120 Cl3 N O12 -","- C330 H360 Cl9 N3 O36 -","3","0.166667","HG2106","Tia Jacobs; Gareth O. Lloyd; Martin W. Bredenkamp","Dianin's compound trichloroacetonitrile clathrate","Acta Crystallographica Section E","2006","62","10","o4400","o4402","10.1107/S1600536806035884","","","0.71073","MoKα","","0.062","0.052","","","0.138","0.144","","","","","","1.034","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2210652","14.276","0.005","14.276","0.005","51.421","0.005","90","0.005","90","0.005","120","0.005","9076","5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triphenylarsine)silver(I) hexafluorophosphate","","- C72 H60 Ag As4 F6 P -","- C72 H60 Ag As4 F6 P -","- C432 H360 Ag6 As24 F36 P6 -","6","0.333333","HG2108","Meijboom, Reinout; Janse van Rensburg, J. Marthinus; Kirsten, Leo; Viljoen, J. Augustinus","Tetrakis(triphenylarsine)silver(I) hexafluorophosphate","Acta Crystallographica Section E","2006","62","10","m2567","m2569","10.1107/S1600536806036373","","","0.71073","MoKα","","","0.0315","","","","0.0717","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210984","14.152","0.0018","14.152","0.0019","16.149","0.002","90","","90","","120","","2801","0.6","120","2","","","","","","","","","","4","R -3 :H","-R 3","148","","Hexakis(4-methylphenoxy)disiloxane","","- C42 H42 O7 Si2 -","- C42 H42 O7 Si2 -","- C126 H126 O21 Si6 -","3","0.166667","EZ2044","Grubba, Rafal; Chojnacki, Jaroslaw; Wojnowski, Wieslaw; Pikies, Jerzy","Hexakis(4-methylphenoxy)disiloxane","Acta Crystallographica Section E","2006","62","11","o5312","o5314","10.1107/S1600536806044059","","","0.71073","MoKα","","","0.047","","","","0.124","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211044","16.3366","0.0008","16.3366","","16.8286","0.0007","90","","90","","120","","3889.6","0.2","293","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]trimanganese(II)]","","- C48 H34 Mn3 O14 -","- C48 H33.96 Mn3 O14 -","- C144 H101.88 Mn9 O42 -","3","0.166667","HG2119","Wang, Huan-Yu; Gao, Shan; Zhao, Jing-Gui; Ng, Seik Weng","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]trimanganese(II)]","Acta Crystallographica Section E","2006","62","11","m3127","m3128","10.1107/S1600536806044126","","","0.71073","MoKα","","0.0767","0.0692","","","0.2421","0.2508","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211045","16.4773","0.0007","16.4773","","16.9571","0.0008","90","","90","","120","","3987.1","0.3","293","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]tricadmium(II)]","","- C48 H34 Cd3 O14 -","- C48 H33.96 Cd3 O14 -","- C144 H101.88 Cd9 O42 -","3","0.166667","HG2120","Wang, Huan-Yu; Gao, Shan; Zhao, Jing-Gui; Ng, Seik Weng","Poly[diaquatris[(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]tricadmium(II)]","Acta Crystallographica Section E","2006","62","11","m3129","m3130","10.1107/S1600536806044138","","","0.71073","MoKα","","0.097","0.064","","","0.173","0.215","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211116","12.141","0.006","12.141","0.006","24.503","0.016","90","","90","","120","","3128","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","trimethylphosphine‒tris(pentafluorophenyl)borane","","- C21 H9 B F15 P -","- C21 H9 B F15 P -","- C126 H54 B6 F90 P6 -","6","0.333333","LH2211","Chase, Preston A.; Parvez, Masood; Piers, Warren E.","Trimethylphosphine‒tris(pentafluorophenyl)borane","Acta Crystallographica Section E","2006","62","11","o5181","o5183","10.1107/S1600536806043029","","","0.71073","MoKα","","0.068","0.039","","","0.084","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211126","15.7764","0.0016","15.7764","","20.455","0.002","90","","90","","120","","4409.1","0.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[2-(1H-imidazol-2-yl)phenolato-κ^2^N,O]chromium(II) methanol trisolvate","","- C30 H33 Cr N6 O6 -","- C30 H33 Cr N6 O6 -","- C180 H198 Cr6 N36 O36 -","6","0.333333","NG2089","He, Hong-Shan","Tris[2-(1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]chromium(III) methanol trisolvate","Acta Crystallographica Section E","2006","62","11","m2886","m2888","10.1107/S1600536806041250","","","0.71073","MoKα","","0.0977","0.0469","","","0.1075","0.1297","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211442","16.134","0.001","16.134","","18.162","0.001","90","","90","","120","","4094.3","0.3","293","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[(μ~2~-4,4'-bipyridine)tris[μ~4~-(E)-4,4'-(ethene-1,2- diyl)dibenzoato]zinc(II)]","","- C58 H38 N2 O12 Zn3 -","- C57.92 H37.92 N2 O12 Zn3 -","- C173.76 H113.76 N6 O36 Zn9 -","3","0.166667","HG2126","Wang, Huan-Yu; Gao, Shan; Zhao, Jing-Gui; Ng, Seik Weng","Poly[(μ~2~-4,4'-bipyridine)tris[μ~4~-(<i>E</i>)-4,4'-(ethene-1,2-diyl)dibenzoato]zinc(II)]","Acta Crystallographica Section E","2006","62","12","m3298","m3300","10.1107/S1600536806047532","","","0.71073","MoKα","","0.11","0.062","","","0.151","0.194","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211528","8.8673","0.001","8.8673","0.001","10.6729","0.0012","90","","90","","120","","726.77","0.14","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","Manganese orthotellurate","Trimanganese(II) hexaoxotellurate(VI)","","- Mn3 O6 Te -","- Mn3 O6 Te -","- Mn18 O36 Te6 -","6","0.333333","MG2008","Weil, Matthias","Mn~3~TeO~6~","Acta Crystallographica Section E","2006","62","12","i244","i245","10.1107/S160053680604685X","","","0.71073","MoKα","","0.0145","0.0138","","","0.0345","0.0346","","","","","","1.178","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211714","32.347","0.005","32.347","0.005","4.0784","0.0007","90","","90","","120","","3695.6","1","299","2","299","2","","","","","","","","5","R -3 :H","-R 3","148","","2-Ethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C126 H126 N54 O18 S18 -","18","1","AT2191","da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine","2-Ethyl-5<i>H</i>-1,3,4-thiadiazolo[3,2-<i>a</i>]pyrimidin-5-one","Acta Crystallographica Section E","2007","63","1","o412","o413","10.1107/S1600536806054584","","","1.5418","CuKα","","0.0416","0.0358","","","0.0931","0.0957","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213048","13.509","0.002","13.509","0.002","8.379","0.002","90","","90","","120","","1324.2","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Cadmium phosphite","Cadmium phosphate(III)","","- Cd H O3 P -","- Cd H O3 P -","- Cd18 H18 O54 P18 -","18","1","WM2081","Wang, Li; Song, Tian-You; Xu, Jia-Ning; Shi, Su-Hua","CdHPO~3~ with a channel structure","Acta Crystallographica Section E","2007","63","4","i105","i107","10.1107/S1600536807010483","","","0.71073","MoKα","","0.0277","0.0266","","","0.0664","0.0672","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213535","18.8437","0.0014","18.8437","0.0014","23.561","0.002","90","","90","","120","","7245.3","1","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","N-(4-Methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)benzamide","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C324 H288 N36 O18 S18 -","18","1","SG2152","Saeed, Aamer; Bolte, Michael","<i>N</i>-(4-Methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)benzamide","Acta Crystallographica Section E","2007","63","5","o2455","o2456","10.1107/S1600536807017138","","","0.71073","MoKα","","0.0596","0.0418","","","0.1051","0.1141","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215084","9.843","0.004","9.843","","33.073","0.005","90","","90","","120","","2775","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Poly[μ~2~-chlorido-nonamethyl-μ~3~-nitrato-tritin(IV)]","","- C9 H27 Cl N O3 Sn3 -","- C9 H27 Cl N O3 Sn3 -","- C54 H162 Cl6 N6 O18 Sn18 -","6","0.333333","EZ2088","Sadiq-ur-Rehman; Sherzaman, Saira; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine","Poly[μ~2~-chlorido-nonamethyl-μ~3~-nitrato-tritin(IV)]","Acta Crystallographica Section E","2007","63","9","m2329","m2329","10.1107/S1600536807038792","","","0.71069","MoKα","","0.0508","0.0495","","","0.1302","0.131","","","","","","1.166","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216545","19.4079","0.001","19.4079","0.001","11.525","0.0004","90","","90","","120","","3759.5","0.3","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","3-Hydroxy-4-methoxybenzohydrazide","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C144 H180 N36 O54 -","18","1","HK2352","Muhammad Hanif; Ghulam Qadeer; Nasim Hasan Rama; Sauli Vuoti; Juho Autio","3-Hydroxy-4-methoxybenzohydrazide","Acta Crystallographica Section E","2007","63","12","o4506","o4506","10.1107/S1600536807053160","","","0.71073","MoKα","","0.0789","0.0448","","","0.0778","0.0868","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216616","27.2898","0.0017","27.2898","0.0009","13.3909","0.0009","90","","90","","120","","8636.6","0.8","293","2","292","2","","","","","","","","5","R -3 :H","-R 3","148","","3-Butyl-2-morpholino-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one","","- C18 H25 N3 O2 S -","- C18 H25 N3 O2 S -","- C324 H450 N54 O36 S18 -","18","1","LH2529","Zeng, Xiao-Hua; Wang, Hong-Mei; Zheng, Ai-Hua; Tian, Jia-Hua; He, Ting-Yun","3-Butyl-2-morpholino-5,6,7,8-tetrahydrobenzothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","12","o4840","o4840","10.1107/S1600536807057558","","","0.71073","MoKα","","0.1278","0.0593","","","0.1498","0.1694","","","","","","0.849","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216949","14.4025","0.001","14.4025","0.001","52.015","0.004","90","","90","","120","","9344","1.2","296","","296","1","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triphenylarsine)copper(I) hexafluoridophosphate","","- C72 H60 As4 Cu F6 P -","- C72 H60 As4 Cu F6 P -","- C432 H360 As24 Cu6 F36 P6 -","6","0.333333","BT2651","Thomas Kern; Günther Knör; Manfred Zabel; Uwe Monkowius","Tetrakis(triphenylarsine)copper(I) hexafluoridophosphate","Acta Crystallographica Section E","2008","64","1","m99","m99","10.1107/S1600536807064458","","","0.71073","MoKα","","0.0514","0.0371","","","0.0928","0.0965","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217024","33.079","0.005","33.079","0.005","7.358","0.005","90","","90","","120","","6973","5","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","3<i>H</i>-2,1-Benzoxaborole-1-spiro-4'-(5-oxa-3a-aza-4-borapyrene)","","- C20 H14 B N O2 -","- C20 H14 B N O2 -","- C360 H252 B18 N18 O36 -","18","1","EM2005","Robin, Beck; Buell, Gregg; Kiprof, Paul; Nemykin, Victor N.","3<i>H</i>-2,1-Benzoxaborole-1-spiro-4'-(5-oxa-3a-aza-4-borapyrene)","Acta Crystallographica Section E","2008","64","1","o314","o315","10.1107/S1600536807066731","","","0.71073","MoKα","","0.1733","0.0684","","0.1346","0.0881","0.093","","","","","","1.0701","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217095","21.173","0.008","21.173","0.008","10.476","0.002","90","","90","","120","","4067","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","(6E)-N-[(4Z)-2,5-Dimethyl-4-(p-tolylimino)cyclohexa-2,5-dienylidene]-4- methylaniline","","- C22 H22 N2 -","- C22 H22 N2 -","- C198 H198 N18 -","9","0.5","HG2328","Fang-Fang Jian; Rui-Rui Zhuang; Ke-Fei Wang; Jing Wang","(6<i>E</i>)-<i>N</i>-[(4<i>Z</i>)-2,5-Dimethyl-4-(<i>p</i>-tolylimino)cyclohexa-2,5-dienylidene]-4-methylaniline","Acta Crystallographica Section E","2008","64","1","o78","o78","10.1107/S1600536807061028","","","0.71073","MoKα","","0.1841","0.0722","","","0.1841","0.2325","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217877","21.5496","0.0013","21.5496","0.0013","17.619","0.002","90","","90","","120","","7085.8","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Dichloridobis[3-methyl-4-phenyl-5-(2-pyridyl)-4H-1,2,4-triazole- κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II) 3.33-hydrate","","- C28 H30.66 Cl2 Cu N8 O3.33 -","- C28 H30.6692 Cl2 Cu N8 O3.33333 -","- C252 H276.023 Cl18 Cu9 N72 O30 -","9","0.5","CF2182","Wang, Zuoxiang; Lan, Yan; Wu, Pingfeng; Huang, Liaocheng","Dichloridobis[3-methyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II) 3.33-hydrate","Acta Crystallographica Section E","2008","64","4","m593","m594","10.1107/S1600536808007630","","","0.71073","MoKα","","0.0868","0.0569","","","0.108","0.1135","","","","","","1.064","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2218259","23.09","0.001","23.09","","25.144","0.001","90","","90","","120","","11609.5","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris[2-(deuteriomethylsulfanyl)phenyl]phosphine deuteriochloroform 0.125-solvate","","- C21.125 H12 Cl0.375 D9.125 P S3 -","- C21.1275 H21.1275 Cl0.3825 P S3 -","- C507.06 H507.06 Cl9.18 P24 S72 -","24","1.33333","TK2251","Wong, Richard Chee Seng; Ooi, Mei Lee; Sakurai, Hidehiro; Ng, Seik Weng","Tris[2-(deuteriomethylsulfanyl)phenyl]phosphine deuteriochloroform 0.125-solvate","Acta Crystallographica Section E","2008","64","5","o898","","10.1107/S1600536808010817","","","0.71073","MoKα","","0.093","0.062","","","0.175","0.194","","","","","","1.18","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218600","16.4881","0.0005","16.4881","0.0005","16.7919","0.001","90","","90","","120","","3953.4","0.3","223","2","223","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[bis(N,N-dimethylformamide)tris(μ~4~-trans-stilbene-4,4'- dicarboxylato)tricadmium(II)]","","- C54 H44 Cd3 N2 O14 -","- C53.94 H43.86 Cd3 N1.98 O14 -","- C161.82 H131.58 Cd9 N5.94 O42 -","3","0.166667","BG2189","Lee, Dong-Heon; Park, Gyungse","Poly[bis(<i>N</i>,<i>N</i>-dimethylformamide)tris(μ~4~-<i>trans</i>-stilbene-4,4'-dicarboxylato)tricadmium(II)]: a two-dimensional network with an unusual 3^6^ topology","Acta Crystallographica Section E","2008","64","7","m861","m862","10.1107/S1600536808016267","","","0.71073","MoKα","","0.0644","0.0571","","","0.1723","0.1808","","","","","","1.177","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218662","10.5499","0.0006","10.5499","0.0006","21.137","0.0013","90","","90","","120","","2037.4","0.2","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κO)chromium(III) trichloride","","- C12 H36 Cl3 Cr O6 S6 -","- C12 H36 Cl3 Cr O6 S6 -","- C36 H108 Cl9 Cr3 O18 S18 -","3","0.166667","CV2410","Mikhaylichenko, Yuliya M.; Haukka, Matti; Pavlenko, Vadim O.; Fritsky, Igor O.; Iskenderov, Turganbay S.","Hexakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) trichloride","Acta Crystallographica Section E","2008","64","7","m904","","10.1107/S1600536808016784","","","0.71073","MoKα","","0.0561","0.0415","","","0.1253","0.1348","","","","","","1.143","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218680","9.843","0.004","9.843","","33.073","0.005","90","","90","","120","","2775","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[μ~3~-carbonato-μ~3~-chlorido-nonamethyltritin(IV)]","","- C10 H27 Cl O3 Sn3 -","- C10 H27 Cl O3 Sn3 -","- C60 H162 Cl6 O18 Sn18 -","6","0.333333","EZ9088","Sadiq-ur-Rehman; Sherzaman, Saira; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine","Poly[μ~2~-chlorido-nonamethyl-μ~3~-nitrato-tritin(IV)]. Corrigendum","Acta Crystallographica Section E","2008","64","7","e26","","10.1107/S1600536808017091","","","0.71069","MoKα","","0.0507","0.0494","","","0.1294","0.1302","","","","","","1.17","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2218991","20.9106","0.0006","20.9106","0.0006","12.0859","0.0007","90","","90","","120","","4576.6","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","lutetium polyphosphate","lutetium polyphosphate","","- Lu O9 P3 -","- Lu O9 P3 -","- Lu24 O216 P72 -","24","1.33333","FI2065","Bejaoui, Anis; Horchani-Naifer, Karima; Férid, Mokhtar","A new polymorph of Lu(PO~3~)~3~","Acta Crystallographica Section E","2008","64","8","i48","","10.1107/S1600536808021995","","","0.71073","MoKα","","0.0409","0.0324","","","0.0586","0.0605","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2218996","28.6221","0.0012","28.6221","0.0012","8.4062","0.0017","90","","90","","120","","5963.9","1.3","298","2","","","","","","","","","","6","R -3 :H","-R 3","148","","2-Iodo-<i>N</i>-(2-nitrophenylsulfanyl)aniline","","- C12 H9 I N2 O2 S -","- C12 H9 I N2 O2 S -","- C216 H162 I18 N36 O36 S18 -","18","1","FL2204","Brito, Iván; Cárdenas, Alejandro; Mundaca, Aldo; López-Rodríguez, Matías; Reyes, Andrea","2-Iodo-<i>N</i>-(2-nitrophenylsulfanyl)aniline","Acta Crystallographica Section E","2008","64","8","o1387","","10.1107/S1600536808019491","","","0.71073","MoKα","","","0.0716","","","","0.2049","","","","","","1.212","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219274","14.139","0.002","14.139","0.002","20.83","0.004","90","","90","","120","","3606.3","1","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","Hexakis(2-amino-4-methylpyridine-κN^1^)dioxidohexa-μ~4~-sulfido-\ hexacopper(I)divanadium(V)","","- C36 H48 Cu6 N12 O2 S6 V2 -","- C36 H48 Cu6 N12 O2 S6 V2 -","- C108 H144 Cu18 N36 O6 S18 V6 -","3","0.166667","BV2103","Yu, Zhang; Tang, Guodong; Zhao, Jianying; Jiang, Zhengjing","Hexakis(2-amino-4-methylpyridine-κ<i>N</i>^1^)dioxidohexa-μ~4~-sulfido-hexacopper(I)divanadium(V)","Acta Crystallographica Section E","2008","64","9","m1217","","10.1107/S1600536808027165","","","0.71073","MoKα","","0.0929","0.0502","","","0.1181","0.1276","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219381","12.6562","0.0018","12.6562","0.0018","19.696","0.004","90","","90","","120","","2732.2","0.8","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C21 H21 P -","- C21 H21 P -","- C126 H126 P6 -","6","0.333333","KJ2091","Wang, Hao; Wang, Yi-Bin; Liu, Bo-Nian; Tang, Shi-Gui; Wei, Ping","Tri-<i>p</i>-tolylphosphine","Acta Crystallographica Section E","2008","64","9","o1783","","10.1107/S160053680802374X","","","0.71073","MoKα","","0.0993","0.0626","","","0.1529","0.1706","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219457","5.007","0.001","5.007","0.001","23.491","0.005","90","","90","","120","","510.02","0.18","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Barium Cobalt Arsenate","Barium dicobalt(II) bis-arsenate(V)","","- As2 Ba Co2 O8 -","- As2 Ba Co2 O8 -","- As6 Ba3 Co6 O24 -","3","0.166667","WM2189","Dordević, Tamara","BaCo~2~(AsO~4~)~2~","Acta Crystallographica Section E","2008","64","9","i58","i59","10.1107/S1600536808025865","","","0.71073","MoKα","","0.0144","0.0141","","","0.0379","0.038","","","","","","1.296","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2219706","5.1722","0.0011","5.1722","0.0011","14.028","0.002","90","","90","","120","","325","0.11","295","","295","","","","","","","","","3","R -3 :H","-R 3","148","","tetramagnesium diantimonate","","- Mg4 O9 Sb2 -","- Mg3.9999 O9 Sb2.0001 -","- Mg7.9998 O18 Sb4.0002 -","2","0.111111","SI2101","Michiue, Yuichi","Mg~4~Sb~2~O~9~ of the ilmenite structure type","Acta Crystallographica Section E","2008","64","10","i66","","10.1107/S160053680802789X","","","0.71069","MoKα","","0.0352","0.0319","","","0.0736","0.0745","","","","","","1.55","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2219800","38.8029","0.001","38.8029","0.001","11.0307","0.0003","90","","90","","120","","14383.4","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","Ethyl 4'-ethenyl-2'-oxo-4-phenyl-2-(3,4,5-trimethoxyphenyl)spiro[pyrrolidine-3,3'-indoline]-5-carboxylate monohydrate","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C558 H612 N36 O126 -","18","1","CI2651","Sathyanarayanan, M.; Ramesh, P.; Murugan, Ramalingam; Narayanan, S. Sriman; Ponnuswamy, M. N.","Ethyl 4'-ethenyl-2'-oxo-4-phenyl-2-(3,4,5-trimethoxyphenyl)spiro[pyrrolidine-3,3'-indoline]-5-carboxylate monohydrate","Acta Crystallographica Section E","2008","64","11","o2052","o2053","10.1107/S1600536808031206","","","0.71073","MoKα","","0.075","0.046","","","0.114","0.1415","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219856","16.2738","0.0007","16.2738","0.0007","46.398","0.002","90","","90","","120","","10641.6","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Bis[tris(1,10-phenanthroline)nickel(II)] tris[dicyanidoargentate(I)] nitrate 4.2-hydrate","","- C78 H56.4 Ag3 N19 Ni2 O7.2 -","- C78 H48 Ag3 N19 Ni2 O7.2 -","- C468 H288 Ag18 N114 Ni12 O43.2 -","6","0.333333","HB2786","Monim-ul-Mehboob, Muhammad; Tufail, Muhammad; Altaf, Muhammad; Stoeckli-Evans, Helen; Ahmad, Saeed; Iftikhar, Syed Hassan","Bis[tris(1,10-phenanthroline)nickel(II)] tris[dicyanidoargentate(I)] nitrate 4.2-hydrate","Acta Crystallographica Section E","2008","64","11","m1379","m1380","10.1107/S1600536808031413","","","0.71073","MoKα","","0.0383","0.031","","","0.083","0.0858","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2219961","10.963","0.005","10.963","0.005","10.779","0.005","90","","90","","120","","1121.9","0.9","100","2","","","","","","","","","","5","R -3 :H","-R 3","148","","Hexaamminecobalt(III) hexacyanidomanganate(III)","","- C6 H18 Co Mn N12 -","- C6 H18 Co Mn N12 -","- C18 H54 Co3 Mn3 N36 -","3","0.166667","PK2122","Visser, Hendrik G.; Purcell, Walter","Hexaamminecobalt(III) hexacyanidomanganate(III)","Acta Crystallographica Section E","2008","64","11","i76","","10.1107/S1600536808032881","","","0.71069","MoKα","","","0.0251","","","","0.0706","","","","","","0.93","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220289","14.2852","0.0006","14.2852","","26.2187","0.0008","90","","90","","120","","4633.6","0.2","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","","Hexakis(μ~2~-2-aminoethanethiolato)triiron(III) tris(perchlorate)","","- C12 H36 Cl3 Fe3 N6 O12 S6 -","- C12 H36 Cl3 Fe3 N6 O12 S6 -","- C72 H216 Cl18 Fe18 N36 O72 S36 -","6","0.333333","NG2504","Igashira-Kamiyama, Asako; Konno, Takumi","Hexakis(μ~2~-2-aminoethanethiolato)triiron(III) tris(perchlorate)","Acta Crystallographica Section E","2008","64","12","m1519","m1520","10.1107/S1600536808036167","","","0.71075","MoKα","","0.0351","0.032","","","0.0982","0.0996","","","","","","1.385","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220940","15.2973","0.0017","15.2973","0.0017","10.6252","0.0016","90","","90","","120","","2153.3","0.5","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","Iron heptadysprosium dodecaiodide","","- Fe Ho7 I12 -","- Fe Ho7 I12 -","- Fe3 Ho21 I36 -","3","0.166667","WM2215","Daub, Kathrin; Meyer, Gerd","Holmium dodecaiodidoiron-<i>octahedro</i>-hexaholmium, {FeHo~6~}I~12~Ho","Acta Crystallographica Section E","2009","65","2","i9","","10.1107/S1600536809001640","","","0.71073","MoKα","","0.0595","0.0388","","","0.0902","0.096","","","","","","0.966","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221198","10.5455","0.0006","10.5455","0.0006","33.728","0.004","90","","90","","120","","3248.3","0.5","291","2","291","2","","","","","","","","7","R -3 :H","-R 3","148","","Poly[[tris[μ-2,2'-(butane-1,4-diyldithio)bis(1,3,4-thiadiazole)- κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] bis(perchlorate)]","","- C24 H30 Cl2 Cu N12 O8 S12 -","- C24 H30 Cl2 Cu N12 O8 S12 -","- C72 H90 Cl6 Cu3 N36 O24 S36 -","3","0.166667","SU2097","Hu, Pu-Zhou; Qin, Jian-Hua; Wang, Jian-Ge","Poly[[tris[μ-2,2'-(butane-1,4-diyldithio)bis(1,3,4-thiadiazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] bis(perchlorate)]","Acta Crystallographica Section E","2009","65","3","m307","","10.1107/S1600536809005625","","","0.71073","MoKα","","0.061","0.0473","","","0.1216","0.1331","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221378","26.49","0.002","26.49","0.002","15.6234","0.0017","90","","90","","120","","9494.5","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilodimethylidyne)]diphenolato- κ^2^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) monohydrate","","- C18 H22 Cl Co N2 O6 -","- C18 H22 Cl Co N2 O6 -","- C324 H396 Cl18 Co18 N36 O108 -","18","1","HG2491","Xing, Jianxin","Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilodimethylidyne)]diphenolato-κ^2^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}cobalt(III) monohydrate","Acta Crystallographica Section E","2009","65","4","m468","","10.1107/S1600536809011167","","","0.71073","MoKα","","0.0953","0.0738","","","0.2372","0.2585","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221495","23.0266","0.0015","23.0266","0.0015","10.519","0.0009","90","","90","","120","","4830.2","0.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","3-Methylsulfanyl-5-phenyl-4<i>H</i>-1,2,4-triazol-4-amine‒water (6/1)","","- C54 H62 N24 O S6 -","- C54 H62 N24 O S6 -","- C162 H186 N72 O3.00001 S18 -","3","0.166667","SJ2552","Wu, Deng-Ze; Liu, Miao-Chang; Wu, Hua-Yue; Huang, Xiao-Bo; Li, Jian-Jun","3-Methylsulfanyl-5-phenyl-4<i>H</i>-1,2,4-triazol-4-amine‒water (6/1)","Acta Crystallographica Section E","2009","65","4","o676","","10.1107/S1600536808041056","","","0.71073","MoKα","","0.0898","0.073","","","0.1921","0.2037","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221732","25.02","0.005","25.02","0.005","10.616","0.005","90","","90","","120","","5755","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","[μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa- 1(23),8(24),9,11,19,21-hexaene-23,24-diolato- κ^8^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:<i>N</i>^14^, <i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]bis[(nitrato- κ^2^<i>O</i>,<i>O</i>')nickel(II)]","","- C22 H30 N6 Ni2 O8 -","- C22 H30 N6 Ni2 O8 -","- C198 H270 N54 Ni18 O72 -","9","0.5","HY2188","Li, Quan-Jun; Ma, Jian-Fang; Liu, Jie; Han, Ting-Ting","[μ-10,21-Dimethyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),8(24),9,11,19,21-hexaene-23,24-diolato-κ^8^<i>N</i>^3^,<i>N</i>^6^,<i>O</i>^23^,<i>O</i>^24^:<i>N</i>^14^,<i>N</i>^17^,<i>O</i>^23^,<i>O</i>^24^]bis[(nitrato-κ^2^<i>O</i>,<i>O</i>')nickel(II)]","Acta Crystallographica Section E","2009","65","5","m522","","10.1107/S1600536809010174","","","0.71069","MoKα","","0.0573","0.0425","","","0.1077","0.1168","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221854","9.4319","0.0003","9.4319","0.0003","10.7028","0.0003","90","","90","","120","","824.57","0.04","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Hg0.973 Mo6 S8 -","- Hg0.973 Mo6 S8 -","- Hg2.919 Mo18 S24 -","3","0.166667","WM2226","Salloum, Diala; Gougeon, Patrick; Potel, Michel","The Chevrel phase HgMo~6~S~8~","Acta Crystallographica Section E","2009","65","5","i34","","10.1107/S1600536809012495","","","0.71069","MoKα","","0.0271","0.0254","","","0.0259","0.0261","","","","","","1.74","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221918","14.0398","0.0012","14.0398","0.0012","28.509","0.005","90","","90","","120","","4866.7","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[2-(2-pyridyliminomethyl)phenolato(0.67-)]europium(III) nitrate","","- C36 H28 Eu N7 O6 -","- C36 H27.99 Eu N7 O6 -","- C216 H167.94 Eu6 N42 O36 -","6","0.333333","BQ2130","Zhao, Qi-Hua; Chen, Hong-Yan; Li, Li-Nan; Xie, Ming-Jin","Tris[2-(2-pyridyliminomethyl)phenolato(0.67{-})]europium(III) nitrate","Acta Crystallographica Section E","2009","65","6","m697","","10.1107/S1600536809017206","","","0.71073","MoKα","","0.1021","0.0542","","","0.1091","0.1276","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222707","37.576","0.007","37.576","0.007","6.297","0.0016","90","","90","","120","","7700","3","294","2","294","2","","","","","","","","4","R -3 :H","-R 3","148","2-(4-Tert-butylbenzyl)isoindoline-1,3-dione","2-(4-<i>tert</i>-butylbenzyl)isoindoline-1,3-dione","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C342 H342 N18 O36 -","18","1","HB5020","Li, Jiang-Sheng; Simpson, Jim; Li, Xun","<i>N</i>-(4-<i>tert</i>-Butylbenzyl)phthalimide","Acta Crystallographica Section E","2009","65","8","o1779","","10.1107/S1600536809025343","","","0.71073","MoKα","","0.1048","0.0508","","","0.1231","0.1394","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223418","20.9911","0.0013","20.9911","0.0013","7.0156","0.0009","90","","90","","120","","2677.1","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) tris(hexafluoridophosphate) hexahydrate","","- C18 H36 Co F18 N12 O6 P3 -","- C18 H36 Co F18 N12 O6 P3 -","- C54 H108 Co3 F54 N36 O18 P9 -","3","0.166667","HG2572","Surdykowski, Andrzej; Łeczkowska, Anna; Dobrzańska, Liliana; Szłyk, Edward","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) tris(hexafluoridophosphate) hexahydrate","Acta Crystallographica Section E","2009","65","10","m1256","m1257","10.1107/S160053680903863X","","","0.71073","MoKα","","0.0325","0.0311","","","0.0821","0.0832","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224578","11.526","0.003","11.526","0.003","19.998","0.005","90","","90","","120","","2300.8","1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(III) trinitrate","","- C12 H36 Co N3 O15 S6 -","- C12 H36 Co N3.0002 O15.0006 S6 -","- C36 H108 Co3 N9.0006 O45.0018 S18 -","3","0.166667","CI2949","Li, Qiuhong; Ng, Seik Weng","Hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(III) trinitrate","Acta Crystallographica Section E","2010","66","1","m21","","10.1107/S1600536809051423","","","0.71073","MoKα","","0.0652","0.0455","","","0.1168","0.1361","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224676","26.7859","0.0003","26.7859","0.0003","16.6531","0.0005","90","","90","","120","","10347.6","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","Aqua[2-(5-ethyl-2-pyridyl-κ<i>N</i>)-4-isopropyl-4-methyl-5-oxo-4,5- dihydroxyimidazol-1-ido-κ<i>N</i>^1^](5-methyl-1<i>H</i>-pyrazole-3- carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II) 1.33-hydrate","","- C19 H27.67 Cu N5 O5.33 -","- C19 H27.67 Cu N5 O5.33333 -","- C342 H498.06 Cu18 N90 O96 -","18","1","HY2262","Zhuang, Ji-Chang; Hu, Fei-Long; Huang, Zhong-Jing; Zhuang, Yue; Zhang, Feng","Aqua[2-(5-ethyl-2-pyridyl-κ<i>N</i>)-4-isopropyl-4-methyl-5-oxo-4,5-dihydroxyimidazol-1-ido-κ<i>N</i>^1^](5-methyl-1<i>H</i>-pyrazole-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II) 1.33-hydrate","Acta Crystallographica Section E","2010","66","1","m79","","10.1107/S1600536809053768","","","0.71073","MoKα","","0.089","0.0484","","","0.1473","0.168","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225095","9.962","0.002","9.962","0.002","61.623","0.018","90","","90","","120","","5296","2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(propionitrile-κ<i>N</i>)[1,4,7-tris(cyanomethyl)-1,4,7-triazacyclononane- κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^]copper(II) bis(perchlorate) dihydrate","","- C21 H37 Cl2 Cu N9 O10 -","- C21 H37 Cl2 Cu N9 O10 -","- C126 H222 Cl12 Cu6 N54 O60 -","6","0.333333","RK2185","Zhang, Zhong; Lu, Jianqi; Wu, Difeng","Tris(propionitrile-κ<i>N</i>)[1,4,7-tris(cyanomethyl)-1,4,7-triazacyclononane-κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^]copper(II) bis(perchlorate) dihydrate","Acta Crystallographica Section E","2010","66","2","m235","m236","10.1107/S1600536810003211","","","0.71073","MoKα","","0.0674","0.051","","","0.1374","0.1438","","","","","","0.989","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225330","29.2634","0.0012","29.2634","","10.4916","0.0008","90","","90","","120","","7780.8","0.7","292","2","292","2","","","","","","","","4","R -3 :H","-R 3","148","","3-Benzyl-6-benzylamino-1-methyl-5-nitro-1,2,3,4-tetrahydropyrimidine","","- C19 H22 N4 O2 -","- C19 H22 N4 O2 -","- C342 H396 N72 O36 -","18","1","NG2723","Kannan, M.; Manivel, P.; Sarathbabu, M.; Sathishkumar, R.; Surya Prakash Rao, H.; Krishna, R.","3-Benzyl-6-benzylamino-1-methyl-5-nitro-1,2,3,4-tetrahydropyrimidine","Acta Crystallographica Section E","2010","66","3","o515","","10.1107/S160053681000348X","","","0.71073","MoKα","","0.1053","0.0669","","","0.1418","0.1595","","","","","","1.076","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225835","14.107","0.003","14.107","0.003","9.441","0.002","90","","90","","120","","1627.1","0.6","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","lithium zinc vanadate","","- Li O4 V Zn -","- Li O4 V Zn -","- Li18 O72 V18 Zn18 -","18","1","FJ2291","Azrour, Mohamed; Elouadi, Brahim; El Ammari, Lahcen","Disordered LiZnVO~4~ with a phenacite structure","Acta Crystallographica Section E","2010","66","5","i39","","10.1107/S1600536810013358","","","0.71073","MoKα","","0.0401","0.0242","","","0.05","0.0545","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226111","43.2799","0.0016","43.2799","0.0016","6.9025","0.0005","90","","90","","120","","11197.2","1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","3-<i>tert</i>-Butyl-1<i>H</i>-isochromene-1-thione","","- C13 H14 O S -","- C13 H14 O S -","- C468 H504 O36 S36 -","36","2","FJ2306","Khan, F. Nawaz; Manivel, P.; Roopan, S. Mohana; Hathwar, Venkatesha R.; Akkurt, Mehmet","3-<i>tert</i>-Butyl-1<i>H</i>-isochromene-1-thione","Acta Crystallographica Section E","2010","66","6","o1470","","10.1107/S1600536810019422","","","0.71073","MoKα","","0.1415","0.0738","","","0.136","0.1611","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226522","11.7207","0.0009","11.7207","0.0009","19.209","0.003","90","","90","","120","","2285.3","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)thallium(III) trinitrate","","- C12 H36 N3 O15 S6 Tl -","- C12 H36 N3 O15 S6 Tl -","- C36 H108 N9 O45 S18 Tl3 -","3","0.166667","HY2321","Ghadermazi, Mohammad; Manteghi, Faranak","Hexakis(dimethyl sulfoxide-κ<i>O</i>)thallium(III) trinitrate","Acta Crystallographica Section E","2010","66","7","m812","","10.1107/S1600536810022646","","","0.71073","MoKα","","0.0221","0.0221","","","0.0582","0.0582","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226589","24.9588","0.0009","24.9588","0.0009","12.8013","0.0005","90","","90","","120","","6906.1","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","<i>N</i>-[(2<i>S</i>)-2-(4-Bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3- carboxamide","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C270 H216 Br18 N54 O36 S18 -","18","1","LH5067","Akkurt, Mehmet; Çelik, Ísmail; Demir, Hale; Özkırımlı, Sumru; Büyükgüngör, Orhan","<i>N</i>-[(2<i>S</i>)-2-(4-Bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide","Acta Crystallographica Section E","2010","66","7","o1691","o1692","10.1107/S1600536810022506","","","0.71073","MoKα","","0.0858","0.0415","","","0.0736","0.085","","","","","","0.95","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226907","24.019","0.003","24.019","0.003","9.999","0.002","90","","90","","120","","4995.7","1.3","113","2","113","2","","","","","","","","3","R -3 :H","-R 3","148","","1-(3-<i>tert</i>-Butyl-4-hydroxyphenyl)ethanone","","- C12 H16 O2 -","- C12 H16 O2 -","- C216 H288 O36 -","18","1","HB5546","Miao, Hua-Ming; Zhao, Gui-Long; Shao, Hua; Wang, Jian-Wu","1-(3-<i>tert</i>-Butyl-4-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2010","66","8","o2037","","10.1107/S1600536810027339","","","0.71073","MoKα","","0.0445","0.0392","","","0.1053","0.11","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226924","23.013","0.002","23.013","","10.6067","0.0011","90","","90","","120","","4864.7","0.7","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","(2-Methylphenyl)(phenyl)methanol","","- C14 H14 O -","- C14 H14 O -","- C252 H252 O18 -","18","1","HB5570","Siddaraju, B. P.; Yathirajan, H. S.; Narayana, B.; Ng, Seik Weng; Tiekink, Edward R. T.","(2-Methylphenyl)(phenyl)methanol","Acta Crystallographica Section E","2010","66","8","o2136","","10.1107/S1600536810029417","","","0.71073","MoKα","","0.057","0.045","","","0.115","0.121","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227109","9.6212","0.0001","9.6212","0.0001","36.3316","0.0007","90","","90","","120","","2912.55","0.07","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","dithallium nonamolybdenum undecaselenide","","- Mo9 Se11 Tl2 -","- Mo9 Se11 Tl2 -","- Mo54 Se66 Tl12 -","6","0.333333","WM2368","Gougeon, Patrick; Gall, Philippe; Potel, Michel","Tl~2~Mo~9~Se~11~","Acta Crystallographica Section E","2010","66","8","i56","","10.1107/S1600536810026541","","","0.71069","MoKα","","0.0632","0.0431","","","0.0864","0.0916","","","","","","1.37","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227590","18.675","0.002","18.675","0.002","27.595","0.003","90","","90","","120","","8334.6","1.6","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","{4-Chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}{4-chloro-2-[(2- oxidoethyl)iminomethyl]phenolato}cobalt(III)","","- C18 H17 Cl2 Co N2 O4 -","- C18 H17 Cl2 Co N2 O4 -","- C324 H306 Cl36 Co18 N36 O72 -","18","1","HG2699","Liu, Li-Jun","{4-Chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}{4-chloro-2-[(2-oxidoethyl)iminomethyl]phenolato}cobalt(III)","Acta Crystallographica Section E","2010","66","9","m1143","","10.1107/S1600536810033088","","","0.71073","MoKα","","0.1001","0.0494","","","0.1112","0.1347","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228026","14.1407","0.0003","14.1407","0.0003","18.0629","0.0005","90","","90","","120","","3127.95","0.13","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","Poly[[hexaaquatris[μ~2~-2,5-dihydroxy-1,4-benzoquinonato(2-)]diholmium(III)] octadecahydrate]","","- C18 H54 Ho2 O36 -","- C18 H6 Ho2 O36 -","- C54 H18 Ho6 O108 -","3","0.166667","TK2691","Nakabayashi, Koji; Ohkoshi, Shin-ichi","Poly[[hexaaquatris[μ~2~-2,5-dihydroxy-1,4-benzoquinonato(2{-})]diholmium(III)] octadecahydrate]","Acta Crystallographica Section E","2010","66","10","m1300","","10.1107/S1600536810028989","","","0.71075","MoKα","","","0.0225","","","","0.0631","","","","","","1.227","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228215","13.1075","0.0018","13.1075","0.0018","25.985","0.006","90","","90","","120","","3866.3","1.2","300","1","300","1","","","","","","","","3","R -3 :H","-R 3","148","Tris{2-[(2-aminobenzylidene)amino]ethyl}amine","2-[({2-[bis(2-{[(2- aminophenyl)methylidene]amino}ethyl)amino]ethyl}imino)methyl]aniline","","- C27 H33 N7 -","- C27 H33 N7 -","- C162 H198 N42 -","6","0.333333","BQ2243","Elizondo García, Mariana; Bernès, Sylvain; Pérez Rodríguez, Nancy; Elizondo Martínez, Perla","Tris{2-[(2-aminobenzylidene)amino]ethyl}amine","Acta Crystallographica Section E","2010","66","12","o3054","o3055","10.1107/S1600536810043783","","","0.71073","MoKα","","0.1058","0.0578","","","0.1378","0.1755","","","","","","1.811","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230165","8.34","0.004","8.34","0.004","24.007","0.008","90","","90","","120","","1446.1","1.1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","rubidium ditin(IV) tris(phosphate)","","- O12 P3 Rb Sn2 -","- O12 P3 Rb Sn2 -","- O72 P18 Rb6 Sn12 -","6","0.333333","WM2466","Zhao, Dan; Li, FeiFei; Qiu, Shen; Jiao, Jiali; Ren, Junran","RbSn~2~(PO~4~)~3~, a NASICON-type phosphate","Acta Crystallographica Section E","2011","67","5","i32","","10.1107/S1600536811014310","","","0.71073","MoKα","","0.0285","0.0259","","","0.0426","0.0433","","","","","","1.158","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2230978","8.3381","0.0001","8.3381","0.0001","23.5508","0.0003","90","","90","","120","","1417.98","0.03","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","Potassium ditin(IV) tris[phosphate(V)]","","- K O12 P3 Sn2 -","- K O12 P3 Sn2 -","- K6 O72 P18 Sn12 -","6","0.333333","FI2111","Zhang, Hui Ju","Potassium ditin(IV) tris[phosphate(V)], KSn~2~(PO~4~)~3~","Acta Crystallographica, Section E","2011","67","10","i51","i51","10.1107/S1600536811035604","","","0.71073","MoKα","","0.0536","0.0532","","","0.1366","0.137","","","","","","1.237","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231148","19.7329","0.0009","19.7329","0.0009","14.7338","0.0004","90","","90","","120","","4968.5","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","Ferrocenylphosphonic acid","","- C10 H11 Fe O3 P -","- C10 H11 Fe O3 P -","- C180 H198 Fe18 O54 P18 -","18","1","HY2442","Yang, Bao-Zhang; Xu, Chao; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Ferrocenylphosphonic acid","Acta Crystallographica Section E","2011","67","8","m1087","","10.1107/S1600536811027206","","","0.71073","MoKα","","0.055","0.0395","","","0.0907","0.098","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231644","11.882","0.0004","11.882","0.0004","17.68","0.0005","90","","90","","120","","2161.68","0.12","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","1-Iodotriptycene","9-iodo-9,10-dihydro-9,10[1',2']-benzenoanthracene","","- C20 H13 I -","- C20 H13 I -","- C120 H78 I6 -","6","0.333333","NK2107","Betz, Richard; McCleland, Cedric; Scheffer, André","1-Iodotriptycene","Acta Crystallographica Section E","2011","67","9","o2368","","10.1107/S160053681103279X","","","0.71069","MoKα","","0.0218","0.0214","","","0.059","0.0593","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232071","28.0966","0.0002","28.0966","0.0002","16.0265","0.0002","90","","90","","120","","10956.6","0.18","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","10,21-dimethyl-2,7,13,18-tetraphenyl-3,6,14,17- tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8(24),9,11,13,17,19,21- decaene-23,24-diol cyclohexane 0.33-solvate","","- C48 H44 N4 O2 -","- C48 H44 N4 O2 -","- C432 H396 N36 O18 -","9","0.5","TK2788","Asatkar, Ashish K.; Verma, Vinay K.; Jain, Tripti A.; Singh, Rajendra; Gupta, Sushil K.; Butcher, Ray J.","10,21-Dimethyl-2,7,13,18-tetraphenyl-3,6,14,17-tetraazatricyclo[17.3.1.1^8,12^]tetracosa-1(23),2,6,8(24),9,11,13,17,19,21-decaene-23,24-diol cyclohexane 0.33-solvate","Acta Crystallographica Section E","2011","67","10","o2724","o2725","10.1107/S1600536811036622","","","0.71073","MoKα","","0.0852","0.0631","","","0.2023","0.2215","","","","","","0.933","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2232268","31.5519","0.0013","31.5519","0.0013","9.0255","0.0006","90","","90","","120","","7781.3","0.7","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","{2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate","","- C20 H16 N2 Ni O3 -","- C20 H16 N2 Ni O3 -","- C360 H288 N36 Ni18 O54 -","18","1","HB6421","Ghaemi, Akbar; Fayyazi, Kazem; Keyvani, Bahram; Ng, Seik Weng; Tiekink, Edward R. T.","{2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","11","m1481","m1482","10.1107/S1600536811039730","","","0.71073","MoKα","","0.0638","0.0406","","","0.104","0.1203","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232469","28.6702","0.0005","28.6702","0.0005","9.0146","0.0002","90","","90","","120","","6417.1","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","<i>catena</i>-Poly[[lead(II)-μ-(2-oxidobenzaldehyde isonicotinoylhydrazonato)] methanol monosolvate]","","- C14 H13 N3 O3 Pb -","- C14 H13 N3 O3 Pb -","- C252 H234 N54 O54 Pb18 -","18","1","SU2329","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","<i>catena</i>-Poly[[lead(II)-μ-(2-oxidobenzaldehyde isonicotinoylhydrazonato)] methanol monosolvate]","Acta Crystallographica Section E","2011","67","11","m1583","","10.1107/S1600536811043078","","","0.71073","MoKα","","0.0161","0.0146","","","0.0318","0.0322","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232491","14.0171","0.0008","14.0171","0.0008","15.3966","0.0014","90","","90","","120","","2619.8","0.3","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]","","- C18 H42 Cl6 Fe2 Mn N6 O7 -","- C18 H42 Cl6 Fe2 Mn N6 O7 -","- C54 H126 Cl18 Fe6 Mn3 N18 O21 -","3","0.166667","WM2531","Chygorin, Eduard N.; Petrusenko, Svitlana R.; Kokozay, Volodymyr N.; Smal, Yuri O.; Omelchenko, Irina V.; Shishkin, Oleg V.","Hexakis(dimethylformamide-κ<i>O</i>)manganese(II) μ-oxido-bis[trichloridoferrate(III)]","Acta Crystallographica Section E","2011","67","11","m1563","m1564","10.1107/S1600536811041523","","","0.71073","MoKα","","0.0505","0.0385","","","0.0873","0.0924","","","","","","0.981","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232940","18.294","0.003","18.294","0.003","28.738","0.006","90","","90","","120","","8329","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","4-[(2-Hydroxynaphthalen-1-yl)(morpholin-4-yl)methyl]benzonitrile","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C396 H360 N36 O36 -","18","1","RZ2668","Chen, Xin-Yuan; Zhao, Min-Min; Qian, Xu; Hou, Shao-Gang","4-[(2-Hydroxynaphthalen-1-yl)(morpholin-4-yl)methyl]benzonitrile","Acta Crystallographica Section E","2011","67","12","o3484","","10.1107/S160053681104997X","","","0.71073","MoKα","","0.1514","0.0805","","","0.1786","0.2101","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233053","14.288","0.0007","14.288","0.0007","22.3811","0.0011","90","","90","","120","","3956.9","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris{2-[(2,6-dimethylphenyl)amino]ethyl}amine","","- C30 H42 N4 -","- C30 H42 N4 -","- C180 H252 N24 -","6","0.333333","ZL2430","Moroz, Yurii S.; Takase, Michael K.; Müller, Peter; Rybak-Akimova, Elena V.","Tris{2-[(2,6-dimethylphenyl)amino]ethyl}amine","Acta Crystallographica Section E","2011","67","12","o3421","","10.1107/S1600536811049397","","","0.71073","MoKα","","0.0488","0.0411","","","0.1066","0.1128","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233517","35.338","0.003","35.338","0.003","10.566","0.0008","90","","90","","120","","11426.8","1.6","220","2","220","2","","","","","","","","5","R -3 :H","-R 3","148","","[3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate","","- C29 H29 O S Sn -","- C29 H29 O S Sn -","- C522 H522 O18 S18 Sn18 -","18","1","IS5011","Ludwig, Gerd; Block, Michael; Wagner, Christoph; Steinborn, Dirk","[3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate","Acta Crystallographica Section E","2012","68","2","m149","","10.1107/S1600536811055474","","","0.71073","MoKα","","0.0415","0.0291","","0.0615","","0.065","","","0.99","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234582","14.2445","0.0012","14.2445","0.0012","51.591","0.004","90","","90","","120","","9065.7","1.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) tetrafluoridoborate","","- C72 H60 Ag B F4 P4 -","- C72 H60 Ag B F3.96 P4 -","- C432 H360 Ag6 B6 F23.76 P24 -","6","0.333333","EZ2286","Huang, Xu; Qiu, Qi-Ming; Wang, Xin; Jin, Qiong-Hua; Zhang, Cun-Lin","Tetrakis(triphenylphosphane-κ<i>P</i>)silver(I) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","5","m706","","10.1107/S1600536812018247","","","0.71073","MoKα","","0.1006","0.0627","","","0.1443","0.1603","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234758","23.081","0.003","23.081","0.003","8.969","0.0018","90","","90","","120","","4137.9","1.1","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[[tri-μ~3~-hydroxido-tris(μ~4~-pyridine-2,5- dicarboxylato)trineodymium(III)] monohydrate]","","- C21 H14 N3 Nd3 O16 -","- C21 H12 N3 Nd3 O16 -","- C126 H72 N18 Nd18 O96 -","6","0.333333","QK2031","Zhang, Qing; Wang, Xing; Wang, Shen-Tang; Liu, Chun-Bo; Che, Guang-Bo","Poly[[tri-μ~3~-hydroxido-tris(μ~4~-pyridine-2,5-dicarboxylato)trineodymium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","5","m541","m542","10.1107/S160053681201286X","","","0.71073","MoKα","","0.0216","0.0188","","","0.0419","0.0425","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234934","19.383","0.003","19.383","","17.546","0.002","90","","90","","120","","5708.9","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido- κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III)","","- C36 H24 Cl6 Co N9 -","- C36 H24 Cl6 Co N9 -","- C216 H144 Cl36 Co6 N54 -","6","0.333333","BT5911","Yu, Gang; Zhan, Shu-Zhong; Ng, Seik Weng","Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido-κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III)","Acta Crystallographica Section E","2012","68","6","m758","","10.1107/S1600536812020569","","","0.71073","MoKα","","0.1085","0.0531","","","0.1276","0.159","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235082","24.6913","0.0008","24.6913","0.0008","7.962","0.0005","90","","90","","120","","4203.8","0.3","184","2","184","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis(2-aminomethyl-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II)","","- C16 H18 Cu N8 O6 -","- C16 H18 Cu N8 O6 -","- C144 H162 Cu9 N72 O54 -","9","0.5","HY2548","Zhao, Jing; Zhang, Heng; Zhai, Xueliang; Zhu, Guoyi","Bis(2-aminomethyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2012","68","6","m767","","10.1107/S1600536812020910","","","0.71073","MoKα","","0.0239","0.0233","","","0.063","0.0634","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235158","13.7314","0.0015","13.7314","0.0015","22.235","0.003","90","","90","","120","","3630.8","0.7","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris[2-(2<i>H</i>-indazol-2-yl)ethyl]amine","","- C27 H27 N7 -","- C27 H27 N7 -","- C162 H162 N42 -","6","0.333333","LR2063","Ovalle, Saúl; Elizondo Martínez, Perla; Pérez Rodríguez, Nancy; Bernès, Sylvain; Flores-Alamo, Marcos","Tris[2-(2<i>H</i>-indazol-2-yl)ethyl]amine","Acta Crystallographica Section E","2012","68","6","o1879","o1880","10.1107/S1600536812022027","","","0.71073","MoKα","","0.0778","0.0446","","","0.1174","0.1312","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235683","33.675","0.004","33.675","0.004","10.283","0.002","90","","90","","120","","10099","3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","Oxido[<i>N</i>-(2-oxidobenzylidene-κ<i>O</i>)leucinato- κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')vanadium(IV)","","- C25 H23 N3 O4 V -","- C25 H23 N3 O4 V -","- C450 H414 N54 O72 V18 -","18","1","XU5555","Wang, Cheng-Yuan; Jing, Bu-Qin; Dong, Jian-Fang; Li, Lian-Zhi","Oxido[<i>N</i>-(2-oxidobenzylidene-κ<i>O</i>)leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')vanadium(IV)","Acta Crystallographica Section E","2012","68","7","m907","","10.1107/S1600536812025391","","","0.71073","MoKα","","0.1541","0.0653","","","0.11","0.1284","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236613","21.7517","0.0001","21.7517","0.0001","7.6269","0.0001","90","","90","","120","","3125.11","0.05","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(μ~3~-1-methylthiourea- κ^3^<i>S</i>:<i>S</i>:<i>S</i>)hexakis[iodidocopper(I)]","","- C12 H36 Cu6 I6 N12 S6 -","- C12 H36 Cu6 I6 N12 S6 -","- C36 H108 Cu18 I18 N36 S18 -","3","0.166667","RZ5016","Ahmad, Saeed; Mufakkar, Muhammad; Khan, Islam Ullah; Fun, Hoong-Kun; Waheed, Abdul","Hexakis(μ~3~-1-methylthiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)hexakis[iodidocopper(I)]","Acta Crystallographica Section E","2012","68","11","m1405","m1406","10.1107/S1600536812043437","","","0.71073","MoKα","","0.0362","0.0273","","","0.0567","0.0605","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237539","10.1676","0.0002","10.1676","0.0002","18.9701","0.0003","90","","90","","120","","1698.39","0.05","295","","295","","","","","","","","","3","R -3 :H","-R 3","148","","Magnesium hexatellurate(IV)","","- Mg O13 Te6 -","- Mg O13 Te6 -","- Mg6 O78 Te36 -","6","0.333333","PJ2001","Shirkhanlou, Mahdi; Weil, Matthias","The Mg member of the isotypic series <i>M</i>Te~6~O~13~","Acta Crystallographica Section E","2013","69","3","i18","","10.1107/S1600536813003875","","","0.71073","MoKα","","0.0184","0.017","","","0.0335","0.0339","","","","","","1.357","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238053","28.2896","0.0005","28.2896","0.0005","13.3041","0.0003","90","","90","","120","","9220.8","0.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","1-(2,4-Dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine","","- C18 H20 Cl2 N2 O2 S -","- C18 H20 Cl2 N2 O2 S -","- C324 H360 Cl36 N36 O36 S18 -","18","1","TK5213","Sreenivasa, S.; ManojKumar, K. E.; Anitha, H. C.; Suchetan, P. A.; Palakshamurthy, B. S.; Jayashree, Yenagi; Tonannavar, J.","An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine","Acta Crystallographica Section E","2013","69","5","o782","","10.1107/S160053681301012X","","","0.71073","MoKα","","0.0558","0.0382","","","0.1005","0.109","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238138","14.5432","0.0004","14.5432","0.0004","14.9445","0.001","90","","90","","120","","2737.4","0.2","185","2","185","2","","","","","","","","4","R -3 :H","-R 3","148","","Poly[hexaaqua(μ~9~-cyclohexane-1,2,3,4,5,6-hexacarboxylato)trimanganese(II)]","","- C12 H18 Mn3 O18 -","- C12 H18 Mn3 O18 -","- C72 H108 Mn18 O108 -","6","0.333333","BX2441","Sun, Weixuan; Zang, Hu; Quan, Chengshi","Poly[hexaaqua(μ~9~-cyclohexane-1,2,3,4,5,6-hexacarboxylato)trimanganese(II)]","Acta Crystallographica Section E","2013","69","7","m384","","10.1107/S1600536813015626","","","0.71073","MoKα","","0.0278","0.025","","","0.0628","0.064","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238327","11.8619","0.0004","11.8619","0.0004","9.8668","0.0004","90","","90","","120","","1202.31","0.08","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","Calcium hexakis(dihydrogenphosphito)stannate(IV), Ca[Sn(H~2~PO~2~)~6~], with some remarks on the so-called Ge~2~(H~2~PO~2~)~6~ structure type","","- Ca H12 O12 P6 Sn -","- Ca H12 O12 P6 Sn -","- Ca3 H36 O36 P18 Sn3 -","3","0.166667","CQ2005","Gieschen, Tobias; Reuter, Hans","Calcium hexakis(dihydrogenphosphito)stannate(IV), Ca[Sn(H~2~PO~2~)~6~], with some remarks on the so-called Ge~2~(H~2~PO~2~)~6~ structure type","Acta Crystallographica Section E","2013","69","8","i44","","10.1107/S1600536813018205","","","0.71073","MoKα","","0.0214","0.02","","","0.057","0.0575","","","","","","1.207","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238415","23.093","0.004","23.093","0.004","6.603","0.003","90","","90","","120","","3049.5","1.6","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C72 H108 N72 O72 -","18","1","PV2640","Essid, Manel; Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed","5-Amino-1<i>H</i>-1,2,4-triazol-4-ium hydrogen oxalate","Acta Crystallographica Section E","2013","69","8","o1279","","10.1107/S1600536813019363","","","0.5608","AgKα","","0.1223","0.0604","","","0.1608","0.194","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238718","11.8399","0.0007","11.8399","0.0007","19.711","0.0012","90","","90","","120","","2393","0.2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide","","- C12 H36 I4 O6 S6 Zn -","- C12 H36 I4 O6 S6 Zn -","- C36 H108 I12 O18 S18 Zn3 -","3","0.166667","FJ2643","Garzón-Tovar, Luis; Duarte-Ruiz, Álvaro; Fanwick, Phillip E.","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide","Acta Crystallographica Section E","2013","69","11","m618","","10.1107/S1600536813028377","","","0.71073","MoKα","","0.066","0.047","","","0.09","0.104","","","","","","1.174","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2238793","27.1686","0.0016","27.1686","0.0016","10.8594","0.0006","90","","90","","120","","6941.8","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","4-Methoxy-<i>N</i>-[(4-methylphenyl)sulfonyl]benzamide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C270 H270 N18 O72 S18 -","18","1","SU2649","Sreenivasa, Swamy; Palakshamurthy, Bandrehalli Siddagangaiah; Tonannavar, Jagdish; Jayashree, Yenagi; Sudha, Achar Gurumurthy; Suchetan, Parameshwar Adimoole","4-Methoxy-<i>N</i>-[(4-methylphenyl)sulfonyl]benzamide including an unknown solvate","Acta Crystallographica Section E","2013","69","11","o1664","o1665","10.1107/S1600536813028158","","","0.71073","MoKα","","0.0527","0.0393","","","0.1032","0.1089","","","","","","1.062","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239366","24.2105","0.0013","24.2105","0.0013","15.7745","0.0009","90","","90","","120","","8007.4","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","4-(4-Bromophenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one","","- C18 H19 Br N2 O4 -","- C18 H19 Br N2 O4 -","- C324 H342 Br18 N36 O72 -","18","1","SU2714","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam","4-(4-Bromophenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one including an unknown solvate","Acta Crystallographica Section E","2014","70","5","o579","o580","10.1107/S1600536814007983","","","0.71073","MoKα","","0.0507","0.0379","","","0.1008","0.1053","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239624","24.8699","0.0018","24.8699","0.0018","5.6603","0.0008","90","","90","","120","","3031.9","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","(3<i>Z</i>)-3-[(<i>Z</i>)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate","","- C16 H10.34 N4 O2.17 -","- C16 H10.3333 N4 O2.16667 -","- C144 H93 N36 O19.5 -","9","0.5","","Liu, Yong-Hong; Zhao, Lei; Liu, Ming-Xuan; Lin, Hai; Li, Jing-Jing","(3<i>Z</i>)-3-[(<i>Z</i>)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate","Acta Crystallographica Section E","2014","70","6","o721","","10.1107/S1600536814011805","","","0.71073","MoKα","","0.0467","0.0386","","","0.102","0.1082","","","","","","1.008","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2240347","23.4036","0.0006","23.4036","0.0006","8.3373","0.0002","90","","90","","120","","3954.77","0.17","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","Cyclohexylammonium thiocyanate","","- C7 H14 N2 S -","- C7 H14 N2 S -","- C126 H252 N36 S18 -","18","1","SJ5432","Bagabas, Abdulaziz A.; Alhoshan, Sultan B.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of cyclohexylammonium thiocyanate","Acta Crystallographica Section E","2015","71","1","o62","o63","10.1107/S2056989014027297","","","1.54178","CuKα","","0.04","0.0375","","","0.0978","0.1001","","","","","","1.056","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240821","33.0327","0.0016","33.0327","0.0016","7.1523","0.0003","90","","90","","120","","6758.7","0.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","2-{[2-Methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol","","- C15 H11 F3 N2 O4 -","- C15 H11 F3 N2 O4 -","- C270 H198 F54 N36 O72 -","18","1","IS5398","Karadayı, Nevzat; Şahin, Songül; Köysal, Yavuz; Coşkun, Emine; Büyükgüngör, Orhan","Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol","Acta Crystallographica Section E","2015","71","7","o466","o467","10.1107/S2056989015010129","","","0.71073","MoKα","","0.1879","0.0837","","","0.0997","0.1262","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240941","24.1525","0.0005","24.1525","0.0005","9.65","0.0002","90","","90","","120","","4875.08","0.17","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","3-Amino-2-propylquinazolin-4(3<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C198 H234 N54 O18 -","18","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 3-amino-2-propylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","8","o590","o591","10.1107/S2056989015013134","","","1.54184","CuKα","","0.0437","0.0399","","","0.1138","0.1202","","","","","","1.056","","","","has coordinates,has Fobs","152443","2020-10-21","18:00:00",""
"2241569","23.3305","0.0016","23.3305","0.0016","15.3681","0.0011","90","","90","","120","","7244.3","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","3,3-Dimethyl-1-(2-phenyl-1<i>H</i>-indol-3-yl)butan-1-one","","- C20 H21 N O -","- C20 H21 N O -","- C360 H378 N18 O18 -","18","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the <i>C</i>(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71073","MoKα","","0.0449","0.0355","","","0.0884","0.0917","","","","","","1.078","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241946","11.8702","0.001","11.8702","0.001","19.386","0.0018","90","","90","","120","","2365.6","0.4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide","","- C12 H36 I4 Mn O6 S6 -","- C12 H36 I4 Mn O6 S6 -","- C36 H108 I12 Mn3 O18 S18 -","3","0.166667","WM5337","Haque, Md Azimul; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tom","Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide","Acta Crystallographica Section E","2016","72","12","1791","1793","10.1107/S2056989016017904","","","0.71073","MoKα","","0.0198","0.0172","","","0.0374","0.0384","","","","","","1.064","","","","has coordinates,has Fobs","188491","2020-10-21","18:00:00",""
"2242126","7.206","0.002","7.206","0.002","18.653","0.011","90","","90","","120","","838.8","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B18 Ba8.35 O36 Pb0.65 -","- B18 Ba8.352 O36 Pb0.648 -","- B18 Ba8.352 O36 Pb0.648 -","1","0.0555556","","Zhao, Wenwu","Crystal structure of the solid solution Ba~8.35~Pb~0.65~(B~3~O~6~)~6~","Acta Crystallographica Section E","2017","73","3","349","353","10.1107/S2056989017001864","","","0.71073","MoKα","","0.0199","0.019","","","0.0471","0.0475","","","","","","1.23","","","","has coordinates","199106","2020-10-21","18:00:00",""
"2242674","9.162","0.0002","9.162","0.0002","11.0736","0.0003","90","","90","","120","","805.01","0.03","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","Tricadmium orthotellurate(VI)","","- Cd3 O6 Te -","- Cd3 O6 Te -","- Cd18 O36 Te6 -","6","0.333333","VN2137","Weil, Matthias; Veyer, Théo","A new form of Cd~3~TeO~6~ revealing dimorphism","Acta Crystallographica Section E","2018","74","11","1561","1564","10.1107/S2056989018014214","","","0.71073","MoKα","","0.0263","0.0234","","","0.0451","0.0456","","","","","","1.286","","","","has coordinates,has Fobs","211460","2020-10-21","18:00:00",""
"2243028","26.3146","0.0014","26.3146","0.0014","8.1205","0.0005","90","","90","","120","","4869.8","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C198 H198 N18 O54 -","18","1","HB7841","Caracelli, Ignez; Zukerman-Schpector, Julio; Schwab, Ricardo S.; da Silva, Everton M.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study","Acta Crystallographica Section E","2019","75","8","1232","1238","10.1107/S2056989019010284","","","0.71073","MoKα","","0.0816","0.0527","","","0.1273","0.1489","","","","","","1.054","","","","has coordinates,has Fobs","217237","2020-10-21","18:00:00",""
"2243923","13.7143","0.0002","13.7143","","16.1312","0.0002","90","","90","","120","","2627.51","0.05","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)","","- C18 H42 Cd2 Cl7 Fe N6 O6 -","- C18 H42 Cd2 Cl7 Fe N6 O6 -","- C54 H126 Cd6 Cl21 Fe3 N18 O18 -","3","0.166667","CQ2046","Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Petrusenko, Svitlana; Sobolev, Alexandre N.","Crystal structure of hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009580","","","1.54178","CuKα","","0.0221","0.0196","","","0.0555","0.0574","","","","","","1.002","","","","has coordinates,has Fobs","269241","2021-09-22","01:59:55",""
"2244013","25.5231","0.0003","25.5231","0.0003","12.6225","0.0002","90","","90","","120","","7121.03","0.16","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","<i>N</i>,<i>N</i>-Di-<i>n</i>-butyl-<i>N</i>'-phenylthiourea","","- C15 H24 N2 S -","- C15 H24 N2 S -","- C270 H432 N36 S18 -","18","1","","Dhaene, Evert; Van Driessche, Isabel; De Buysser, Klaartje; Van Hecke, Kristof","Crystal structures of three <i>N</i>,<i>N</i>,<i>N</i>'-trisubstituted thioureas for reactivity-controlled nanocrystal synthesis","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000147","","x-ray","1.54184","CuKα","","0.0335","0.0321","","","0.0854","0.0866","","","","","","1.057","","","","has coordinates,has Fobs","272053","2022-01-15","02:37:23",""
"2300051","10.8429","0.0007","10.8429","0.0007","31.607","0.003","90","0.005","90","0.005","120","0.005","3218.1","0.5","10","1","10","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Zn -","- C24 H48 B2 F8 N24 Zn -","- C72 H144 B6 F24 N72 Zn3 -","3","0.166667","","Hartmunt Spiering; Philipp Gutlich","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0263","0.0257","","0.0613","0.061","","","","1.091","1.101","1.101","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300052","10.881","0.002","10.881","0.002","31.48","0.008","90","0.005","90","0.005","120","0.005","3227.8","1.2","10","1","10","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C72 H144 B6 F24 Fe3 N72 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0468","0.0323","","0.076","0.0722","","","","1.075","1.146","1.146","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300053","10.701","0.002","10.701","0.002","31.9","0.008","90","0.005","90","0.005","120","0.005","3163.5","1.2","10","1","10","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C72 H144 B6 F24 Fe3 N72 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0446","0.0359","","0.0875","0.0851","","","","1.105","1.176","1.176","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300054","10.8575","0.0005","10.8575","0.0005","31.56","0.003","90","0.005","90","0.005","120","0.005","3222","0.4","10","1","10","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C72 H144 B6 F24 Fe1.38 N72 Zn1.62 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0275","0.0269","","0.072","0.0716","","","","1.103","1.113","1.113","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300055","10.7719","0.0006","10.7719","0.0006","31.763","0.003","90","0.005","90","0.005","120","0.005","3191.8","0.4","10","1","10","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C72 H144 B6 F24 Fe1.38 N72 Zn1.62 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0272","0.0266","","0.0697","0.0694","","","","1.061","1.068","1.068","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300102","37.766","0.001","37.766","0.001","5.7286","0.0002","90","","90","","120","","7075.9","0.4","110","1","110","","","","","","","","","4","R -3 :H","-R 3","148","","triphenyl phosphite","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C324 H270 O54 P18 -","18","1","","Hernandez, Olivier; Hédoux, Alain; Lefebvre, Jacques; Guinet, Yannick; Descamps, Marc; Papoular, Robert; Masson, Olivier","<i>Ab</i> <i>initio</i> structure determination of triphenyl phosphite by powder synchrotron X-ray diffraction","Journal of Applied Crystallography","2002","35","2","212","219","10.1107/S0021889802000511","","","0.850871","synchrotron","","","","","","","","","","1.64","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300249","12.87078","0.00012","12.87078","","6.1827","0.0001","90","","90","","120","","886.99","0.017","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- D2 O -","- D2 O -","- D72 O36 -","36","2","","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.","Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa","Journal of Applied Crystallography","2009","42","5","846","866","10.1107/S0021889809027897","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300254","12.8396","0.001","12.8396","","6.1628","0.0007","90","","90","","120","","879.86","0.12","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- D2 O -","- D2 O -","- D72 O36 -","36","2","","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.","Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa","Journal of Applied Crystallography","2009","42","5","846","866","10.1107/S0021889809027897","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300588","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.019","","","","0.033","","","","","","2.71","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300589","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.02","0.016","","","","0.033","","","","","","3.156","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300590","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.018","","","","0.035","","","","","","3.156","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300591","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.02","0.017","","","","0.034","","","","","","3.015","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300592","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","15","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.014","","","","0.036","","","","","","2.024","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300593","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.013","","","","0.024","","","","","","2.671","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2300594","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.028","","","","","","3.38","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300595","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.014","","","","0.024","","","","","","2.988","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300596","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.036","","","","","","2.139","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300597","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.017","0.015","","","","0.034","","","","","","2.155","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300598","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.035","","","","","","2.408","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300599","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.015","","","","0.034","","","","","","2.331","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300679","18.3464","0.0019","18.3464","0.0019","8.9241","0.0009","90","","90","","120","","2601.3","0.5","295","2","295","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Al6.31 B4.94 -","- Al6.31 B4.94333 -","- Al113.58 B88.98 -","18","1","","Malkin, Alexander I.; Chernyshev, Vladimir V.; Ryazantseva, Alena A.; Vasiliev, Alexander L.; Nickolsky, Maximilian S.; Shiryaev, Andrei A.","Formation and characterization of an Al-rich metastable phase in the Al‒B phase diagram","Journal of Applied Crystallography","2021","54","4","","","10.1107/S1600576721005756","powder diffraction","","1.5418","CuKα","","","","","","","","","0.087","1.537","","","","","","","has coordinates","267617","2021-07-17","06:23:46",""
"2310299","10.903","","10.903","","19.342","","90","","90","","120","","1991.24","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Co0.442 Cr0.176 Mo0.382)","","- Co0.442 Cr0.176 Mo0.382 -","- Co0.441415 Cr0.176887 Mo0.381698 -","- Co70.185 Cr28.125 Mo60.69 -","159","8.83333","","Komura, Y.; Sly, W.G.; Shoemaker, D.P.","The crystal structure of the R-phase, Mo-Co-Cr","Acta Crystallographica (1,1948-23,1967)","1960","13","","575","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","145561","2020-10-21","18:00:00",""
"2310361","13.29","","13.29","","8.91","","90","","90","","120","","1362.88","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li2 (Be F4)","","- Be F4 Li2 -","- Be F4 Li2 -","- Be18 F72 Li36 -","18","1","","Burns, J.H.; Gordon, E.K.","Refinement of the crystal structure of Li2 Be F4","Acta Crystallographica (1,1948-23,1967)","1966","20","","135","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310455","23.665","","23.665","","9.253","","90","","90","","120","","4487.73","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na Cl (N H3)5.143","","- Cl H15.429 N5.143 Na -","- Cl H15.4286 N5.14286 Na -","- Cl21 H324 N108 Na21 -","21","1.16667","","Olovsson, I.","The Crystal Structure of Na Cl (N H3)5.143 and Na Br (N H3)5.143","Acta Crystallographica (1,1948-23,1967)","1965","18","","879","889","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310456","24.343","","24.343","","9.462","","90","","90","","120","","4855.81","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na Br (N H3)5.143","","- Br H15.429 N5.143 Na -","- Br H15.4286 N5.14286 Na -","- Br21 H324 N108 Na21 -","21","1.16667","","Olovsson, I.","The Crystal Structure of Na Cl (N H3)5.143 and Na Br (N H3)5.143","Acta Crystallographica (1,1948-23,1967)","1965","18","","879","889","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310515","14.361","","14.361","","9.602","","90","","90","","120","","1714.99","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li2 (W O4)","","- Li2 O4 W -","- Li2 O4 W -","- Li36 O72 W18 -","18","1","","Zachariasen, W.H.; Plettinger, H.A.","The crystal structure of lithium tungstate","Acta Crystallographica (1,1948-23,1967)","1961","14","","229","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310854","7.352","","7.352","","7.235","","90","","90","","120","","338.673","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K (As F6)","","- As F6 K -","- As F6 K -","- As3 F18 K3 -","3","0.166667","","Roof, R.B.jr.","The crystal structure of K As F6","Acta Crystallographica (1,1948-23,1967)","1955","8","","739","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310938","7.28","","7.28","","26.35999","","90","","90","","120","","1209.87","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K (Au (C N)2)","","- C2 Au K N2 -","- C2 Au K N2 -","- C18 Au9 K9 N18 -","9","0.5","","Rosenzweig, A.; Cromer, D.T.","The crystal structure of K Au (C N)2","Acta Crystallographica (1,1948-23,1967)","1959","12","","709","712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311597","15.982","0.003","15.982","0.003","29.74","0.005","90","","90","","120","","6579","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","[Co(NH3)6][ReF6]","Tris[hexaamminecobalt(III)] tetraoxidorhenate(VII) tetrakis[hexafluoridorhenate(IV)] hexahydrate","","- Co3 F24 H54 N18 O10 Re5 -","- Co3 F24 H54 N18 O10 Re5 -","- Co18 F144 H324 N108 O60 Re30 -","6","0.333333","HB7830","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Hagenbach, Adelheid; Poineau, Frederic","An unexpected rhenium(IV)-rhenium(VII) salt: [Co(NH<sub>3</sub>)<sub>6</sub>]<sub>3</sub>[Re<sup>VII</sup>O<sub>4</sub>][Re<sup>IV</sup>F<sub>6</sub>]<sub>4</sub>·6H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 8","1158","1161","10.1107/S2056989019009757","","","0.71073","MoKα","","0.0417","0.0392","","","0.1122","0.1144","","","","","","1.084","","","","has coordinates","246007","2020-10-21","18:00:00",""
"2311694","15.9791","0.00003","15.9791","0.00003","5.58227","0.00002","90","","90","","120","","1234.37","0.006","90","","90","","","","","","","","","2","R -3 :H","-R 3","148","","Benzene:ethane co-crystal","","- C20 H24 -","- C20 H24 -","- C60 H72 -","3","0.166667","RA5013","Solovyov, Leonid A.","Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 5","738","743","10.1107/S2052520616011690","powder diffraction","x-ray","0.826","","","0.055","","","","","","","0.03191","1.19353","","","","","","","has coordinates","246086","2020-10-21","18:00:00",""
"2311895","13.3664","0.0015","13.3664","0.0015","5.964","0.0009","90","","90","","120","","922.8","0.2","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","Triyttrium tetragold","","- Au4 Y3 -","- Au4 Y3 -","- Au24 Y18 -","6","0.333333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.0661","0.0471","","","0.0883","0.094","","","","","","1.036","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311911","26.6774","0.0016","26.6774","0.0016","10.3451","0.0006","90","","90","","120","","6376.1","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","1-ethynyl-2-nitro-4,5-dipropoxybenzene","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C252 H306 N18 O72 -","18","1","FN3243","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0611","0.0468","","","0.1265","0.1381","","","","","","1.055","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2312001","15.2582","0.001","15.2582","0.001","26.7313","0.0017","90","","90","","120","","5389.6","0.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Hexakis(2,6-diisopropylphenyl isocyanide)niobium(0)","","- C78 H102 N6 Nb -","- C78 H102 N6 Nb -","- C234 H306 N18 Nb3 -","3","0.166667","QF3033","Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 9","1259","1265","10.1107/S205322961901101X","","","0.71073","MoKα","","0.0378","0.0351","","","0.0832","0.0852","","","","","","1.043","","","","has coordinates,has disorder","246240","2020-10-21","18:00:00",""
"2312028","49.85","0.007","49.85","0.007","4.9234","0.0008","90","","90","","120","","10596","3","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C432 H396 N36 O54 -","18","1","","Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin","Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma","Acta Crystallographica Section D","2022","78","9","","","10.1107/S2059798322007823","","x-ray","0.71073","MoKα","","0.1993","0.1095","","","0.3201","0.3775","","","","","","1.146","","","","has coordinates,has disorder","277409","2022-08-26","01:41:47",""
"2312359","10.4479","0.0002","10.4479","0.0002","19.6774","0.0004","90","","90","","120","","1860.19","0.06","295.9","0.2","295.9","0.2","","","","","","","","3","R -3 :H","-R 3","148","","Docosaaluminium nonaruthenium decasilicon","","- Al22.4 Ru9 Si9.6 -","- Al22.4 Ru9 Si9.6 -","- Al67.2 Ru27 Si28.8 -","3","0.166667","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0144","0.0126","","","0.0232","0.0237","","","","","","1.08","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:20",""
"2312438","14.0325","0.0007","14.0325","0.0007","9.9333","0.0006","90","","90","","120","","1693.93","0.16","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","PX5059","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0239","0.0205","","","0.0451","0.046","","","","","","1.054","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312439","14.1212","0.0009","14.1212","0.0009","10.2274","0.0009","90","","90","","120","","1766.2","0.2","293","1","293","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0328","0.0274","","","0.0623","0.0637","","","","","","1.049","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312440","14.0925","0.0013","14.0925","0.0013","10.1233","0.001","90","","90","","120","","1741.1","0.3","293","1","293","1","150000","","150000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0525","0.0337","","","0.0592","0.0644","","","","","","1.044","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312441","14.0661","0.0007","14.0661","0.0007","10.0405","0.0005","90","","90","","120","","1720.42","0.15","293","1","293","1","290000","","290000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0318","0.0275","","","0.0639","0.0652","","","","","","1.028","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312442","14.0266","0.0007","14.0266","0.0007","9.9794","0.0004","90","","90","","120","","1700.36","0.14","293","1","293","1","380000","","380000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0279","0.0235","","","0.0511","0.0521","","","","","","1.059","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312443","13.9661","0.0007","13.9661","0.0007","9.8695","0.0005","90","","90","","120","","1667.16","0.15","293","1","293","1","600000","","600000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0258","0.0222","","","0.051","0.0522","","","","","","1.035","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312444","13.9423","0.0007","13.9423","0.0007","9.8301","0.0006","90","","90","","120","","1654.85","0.15","293","1","293","1","680000","","680000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0297","0.0248","","","0.0571","0.0591","","","","","","1.054","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312445","13.9035","0.0007","13.9035","0.0007","9.7746","0.0005","90","","90","","120","","1636.36","0.14","293","1","293","1","830000","","830000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0284","0.0237","","","0.0547","0.0568","","","","","","1.019","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312446","13.8794","0.0007","13.8794","0.0007","9.7474","0.0006","90","","90","","120","","1626.15","0.15","293","1","293","1","920000","","920000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0281","0.0243","","","0.0555","0.057","","","","","","1.084","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312447","13.8732","0.0006","13.8732","0.0006","9.7282","0.0005","90","","90","","120","","1621.5","0.13","293","1","293","1","980000","","980000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0291","0.0246","","","0.0558","0.057","","","","","","1.094","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312448","13.8347","0.0006","13.8347","0.0006","9.6719","0.0005","90","","90","","120","","1603.18","0.13","293","1","293","1","1130000","","1130000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0288","0.025","","","0.0579","0.0588","","","","","","1.087","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312449","13.8133","0.0008","13.8133","0.0008","9.644","0.0005","90","","90","","120","","1593.61","0.15","293","1","293","1","1250000","","1250000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0326","0.0254","","","0.0606","0.0626","","","","","","1.09","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312450","13.776","0.0008","13.776","0.0008","9.5808","0.0007","90","","90","","120","","1574.63","0.17","293","1","293","1","1460000","","1460000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.035","0.0273","","","0.0601","0.062","","","","","","1.07","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312451","13.7392","0.0007","13.7392","0.0007","9.5341","0.0006","90","","90","","120","","1558.59","0.15","293","1","293","1","1610000","","1610000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0336","0.0274","","","0.0628","0.0646","","","","","","1.105","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312452","13.6805","0.0008","13.6805","0.0008","9.4433","0.0006","90","","90","","120","","1530.59","0.16","293","1","293","1","1890000","","1890000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.039","0.0296","","","0.0677","0.0697","","","","","","1.032","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312453","13.8103","0.001","13.8103","0.001","9.6615","0.001","90","","90","","120","","1595.8","0.2","293","1","293","1","1230000","","1230000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0484","0.0328","","","0.0715","0.075","","","","","","1.002","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312454","13.8733","0.0011","13.8733","0.0011","9.7541","0.0012","90","","90","","120","","1625.8","0.3","293","1","293","1","950000","","950000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0722","0.0522","","","0.1105","0.1181","","","","","","1.043","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312455","13.9183","0.0009","13.9183","0.0009","9.8453","0.001","90","","90","","120","","1651.7","0.2","293","1","293","1","760000","","760000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0508","0.0365","","","0.0835","0.0871","","","","","","1.065","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312456","14.0337","0.0012","14.0337","0.0012","10.0671","0.0013","90","","90","","120","","1717","0.3","293","1","293","1","300000","","300000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0641","0.0362","","","0.0752","0.0802","","","","","","1.017","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312457","14.1078","0.0008","14.1078","0.0008","10.2256","0.0009","90","","90","","120","","1762.5","0.2","257","3","257","3","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0412","0.0349","","","0.0861","0.0885","","","","","","1.071","","","","has coordinates","291107","2024-04-05","23:40:27",""
"3000164","1.4974","","1.4974","","4.274","","90","","90","","120","","8.299","","","","","","","","","","","","","5","R -3 :H","-R 3","","","","magnesium-calcium-sodium ortho-phosphate","- Ca4 Mg21 Na4 O72 P18 -","","","","","","Domanskii, A.I.; Smolin, Y.I.; Shepelev, Y.F.; Majling, J.","Determination of the crystal-structure of triple magnesium-calcium-sodium orthophosphate Mg21Ca4Na4(PO4)18","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","204995","2020-10-21","18:00:00","2018-06-09"
"3000289","8.103","0.0003","8.103","0.0003","21.5343","0.0009","90","","90","","120","","1224.48","0.08","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ge1.96 Na0.99 O12 P3 -","- Ge1.955 Na0.9925 O12 P3 -","- Ge11.73 Na5.955 O72 P18 -","6","0.333333","","Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S.","Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3","The Journal of Chemical Physics","2021","155","7","074501","","10.1063/5.0049399","powder diffraction","","1.7982","neutron","","","","","","","","","3.1148","1.497","","","","","","","has coordinates","268134","2021-08-19","12:55:55",""
"3000290","8.2218","0.0004","8.2218","0.0004","21.457","0.0015","90","","90","","120","","1256.13","0.12","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Al0.43 Ge1.57 Na1.413 O12 P3 -","- Al0.432 Ge1.568 Na1.414 O12 P3 -","- Al2.592 Ge9.408 Na8.484 O72 P18 -","6","0.333333","","Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S.","Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3","The Journal of Chemical Physics","2021","155","7","074501","","10.1063/5.0049399","powder diffraction","","1.7982","neutron","","","","","","","","","6.3356","1.922","","","","","","","has coordinates","268135","2021-08-19","12:57:18",""
"3500040","16.3767","0.0004","16.3767","0.0004","5.3443","0.0001","90","","90","","120","","1241.29","0.05","200","","200","","","","","","","","","3","R -3 :H","-R 3","148","hexa(bromomethyl)benzene","Benzene, 1,2,3,4,5,6-hexakis(bromomethyl)-","","- C12 H12 Br6 -","- C12 H12 Br6 -","- C36 H36 Br18 -","3","0.166667","","Thierry Maris","hexa(bromomethyl)benzene","Personal communication to COD","2019","","","","","","","x-ray","1.34139","GaKα","","0.0158","0.0152","","","0.0368","0.0372","","","","","","1.103","","","","has coordinates,has Fobs","245331","2020-10-21","18:00:00",""
"3500128","9.5544","0.0002","9.5544","0.0002","16.9655","0.0005","90","","90","","120","","1341.23","0.06","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","Aluminium Formate Trihydrate","","","- C3 H9 Al O9 -","- C3 H9 Al O9 -","- C18 H54 Al6 O54 -","6","0.333333","","Mohanty, Chetna; Maris, Thierry; Wuest, James D.","Aluminium Formate Trihydrate","Personal communication to COD","2022","","","","","","","x-ray","1.34139","GaKα","","0.0287","0.0286","","","0.0658","0.066","","","","","","1.174","","","","has coordinates,has Fobs","278329","2022-10-04","16:05:53",""
"4000024","15.252","0.008","15.2516","","10.749","0.004","90","","90","","120","","2165","1","296.2","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ce9 F18 H67.5 N10.5 O27 -","- Ce9 F18 N10.5 O27 -","- Ce18 F36 N21 O54 -","2","0.111111","","Yu, Ranbo; Wang, Dan; Kumada, Nobuhiro; Kinomura, Nobukazu","Novel Open-Framework Material: Cerium Oxyfluoride with CeO~6~F~2~ Dodecahedron","Chemistry of Materials","2000","12","12","3527","3529","10.1021/cm0003830","","","0.7107","MoKα","","","0.0446","","","","0.0509","","","","","","1.9","","","","has coordinates","180555","2020-10-21","18:00:00",""
"4000805","5.3535","0.0002","5.3535","0.0002","31.0814","0.0012","90","","90","","120","","771.45","0.05","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ce0.33 Pt1.67 Sb0.33 -","- Ce Pt5 Sb -","- Ce6 Pt30 Sb6 -","6","0.333333","","Salamakha, L.; Bauer, E.; Michor, H.; Hilscher, G.; Müller, H.; Svagera, R.; Sologub, O.; Rogl, P.; Hester, J.; Roisnel, T.; Giester, G.; Mudryi, S.","First-Order Phase Transition in a New CaCu5-Related Antimonide, CePt5Sb","Chemistry of Materials","2011","23","17","4016","","10.1021/cm201584f","","","0.71073","MoKα","","0.0322","0.0242","","","0.0544","0.0559","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000905","21.559","0.003","21.559","0.003","16.642","0.005","90","","90","","120","","6699","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H36 Cl Co6 N13 O28 -","- C84.96 H36 Cl Co6 N13 O28.02 -","- C254.88 H108 Cl3 Co18 N39 O84.06 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1297","0.0719","","","0.2257","0.2636","","","","","","1.178","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000906","21.53","0.0016","21.53","","16.5418","0.0013","90","","90","","120","","6640.5","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H36 Co6 F N13 O28 -","- C85.02 H36 Co6 F N13 O28.02 -","- C255.06 H108 Co18 F3 N39 O84.06 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1463","0.084","","","0.2565","0.311","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000907","21.842","0.007","21.842","0.007","14.502","0.009","90","","90","","120","","5992","5","353","2","353","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H36 Cl Co6 N12 O24 -","- C84 H36 Cl Co6 N12 O24 -","- C252 H108 Cl3 Co18 N36 O72 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.2858","0.1217","","","0.241","0.396","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001020","10.485","","10.485","","10.901","","90","","90","","120","","1037.85","","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Cl6 Fe H12 O6 Pt -","- Cl6 Fe H12 O6 Pt -","- Cl18 Fe3 H36 O18 Pt3 -","3","0.166667","","Capobianchi, Aldo; Colapietro, Marcello; Fiorani, Dino; Foglia, Sabrina; Imperatori, Patrizia; Laureti, Sara; Palange, Elia","General Strategy for Direct Synthesis of L10Nanoparticle Alloys from Layered Precursor: The Case of FePt","Chemistry of Materials","2009","21","10","2007","2009","10.1021/cm9003992","","","0.71073","","","0.026","0.026","","0.033","0.033","","","","1.164","1.164","1.164","","","","","has coordinates","218794","2020-10-21","18:00:00",""
"4001086","9.87224","0.00008","9.87224","","17.54547","0.00024","90","","90","","120","","1480.9","0.02","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo O8 W Zr -","- Mo O8 W Zr -","- Mo9 O72 W9 Zr9 -","9","0.5","","Deng, Xuebin; Tao, Juzhou; Yang, Xiaojing; Ma, Hui; Richardson, James W.; Zhao, Xinhua","Novel Trigonal ZrWMoO8Structure and Its Transformations","Chemistry of Materials","2008","20","5","1733","","10.1021/cm071605y","powder diffraction","neutron","","","","","","","","","","0.03225","","1.28","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001087","13.3098","0.0004","13.3098","0.0004","27.436","0.0018","90","","90","","120","","4209.2","0.3","299","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","TAF24-IMI","","","- C24 H40 F24 N16 O12 Ta8 -","- C18 H30 F24 N12 O12 Ta8 -","- C54 H90 F72 N36 O36 Ta24 -","3","0.166667","","Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen","A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters","Chemistry of Materials","2008","20","6","2205","","10.1021/cm0717763","","","0.71073","MoKα","","0.0319","0.0297","","","0.0601","0.0612","","","","","","1.23","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001170","18.814","0.015","18.814","0.015","30.58","0.04","90","","90","","120","","9374","16","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","PCN-10","","","- C16 H10 Cu2 N2 O10 -","- C16 H10 Cu2 N2 O10 -","- C144 H90 Cu18 N18 O90 -","9","0.5","","Wang, Xi-Sen; Ma, Shengqian; Rauch, Karsten; Simmons, Jason M.; Yuan, Daqiang; Wang, Xiaoping; Yildirim, Taner; Cole, William C.; López, Joseph J.; Meijere, Armin de; Zhou, Hong-Cai","Metal−Organic Frameworks Based on Double-Bond-Coupled Di-Isophthalate Linkers with High Hydrogen and Methane Uptakes","Chemistry of Materials","2008","20","9","3145","","10.1021/cm800403d","","","0.71073","MoKα","","0.0803","0.0577","","","0.1441","0.1537","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001172","18.795","0.003","18.795","0.003","31.28","0.009","90","","90","","120","","9569","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","PCN-11","","","- C18 H12 Cu2 O10 -","- C18 H12 Cu2 O10 -","- C162 H108 Cu18 O90 -","9","0.5","","Wang, Xi-Sen; Ma, Shengqian; Rauch, Karsten; Simmons, Jason M.; Yuan, Daqiang; Wang, Xiaoping; Yildirim, Taner; Cole, William C.; López, Joseph J.; Meijere, Armin de; Zhou, Hong-Cai","Metal−Organic Frameworks Based on Double-Bond-Coupled Di-Isophthalate Linkers with High Hydrogen and Methane Uptakes","Chemistry of Materials","2008","20","9","3145","","10.1021/cm800403d","","","0.71073","MoKα","","0.2457","0.0994","","","0.1984","0.2408","","","","","","0.934","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001430","18","0.02","18","0.02","18.46","0.02","90","","90","","120","","5180","10","153","2","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C24 H66 Co N6 O46 P S6 W12 -","- C24 H66 Co N6 O46 P S6 W12 -","- C72 H198 Co3 N18 O138 P3 S18 W36 -","3","0.166667","","Uchida, Sayaka; Hikichi, Shiro; Akatsuka, Takeo; Tanaka, Toshiyuki; Kawamoto, Ryosuke; Lesbani, Aldes; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka","Preparation of Monodispersed Nanoparticles by Electrostatic Assembly of Keggin-Type Polyoxometalates and 1,4,7-Triazacyclononane-Based Transition-Metal Complexes","Chemistry of Materials","2007","19","19","4694","","10.1021/cm071565y","","","0.7107","MoKα","","","0.1103","","","","0.2293","","","","","","1.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001522","23.7807","0.0015","23.7807","0.0015","13.4664","0.0012","90","","90","","120","","6595.3","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H17 Ga2 N3 O10 P2 -","- C4 H13 Ga2 N3 O10 P2 -","- C72 H234 Ga36 N54 O180 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0335","0.0272","","","0.0844","0.0874","","","","","","1.015","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001523","23.74","0.0016","23.74","0.0016","13.4851","0.0013","90","","90","","120","","6581.8","0.9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Co0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Co1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0465","0.0324","","","0.1039","0.1081","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001524","23.7422","0.0007","23.7422","0.0007","13.4888","0.0006","90","","90","","120","","6584.8","0.4","295","2","295","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C4 H13 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C72 H234 Co1.8 Cr1.8 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0491","0.0422","","","0.116","0.1194","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001525","23.6965","0.0013","23.6965","0.0013","13.5437","0.001","90","","90","","120","","6586.2","0.7","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Fe0.2 Ga1.8 N3 O9 P2 -","- C4 H12 Fe0.2 Ga1.8 N3 O9 P2 -","- C72 H216 Fe3.6 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.1072","0.0432","","","0.1119","0.1235","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001526","23.6635","0.0014","23.6635","0.0014","13.5686","0.0011","90","","90","","120","","6580","0.8","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.15 Ga1.85 Mn0.15 N3 O9 P2 -","- C4 H13 Ga1.85 Mn0.15 N3 O9 P2 -","- C72 H234 Ga33.3 Mn2.7 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0703","0.0429","","","0.1207","0.1289","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001527","23.6899","0.0011","23.6899","0.0011","13.5483","0.0009","90","","90","","120","","6584.8","0.6","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Ga1.8 N3 O9 P2 Zn0.2 -","- C4 H13 Ga1.8 N3 O9 P2 Zn0.2 -","- C72 H234 Ga32.4 N54 O162 P36 Zn3.6 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0628","0.0388","","","0.1112","0.118","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001528","23.716","0.003","23.716","0.003","13.447","0.002","90","","90","","120","","6550","1.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15 Cr0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Cr0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Cr1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0601","0.0397","","","0.1276","0.1356","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001531","23.659","0.003","23.659","0.002","16.9604","0.0018","90","0.003","90","0.003","120","0.003","8221.7","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H102 P6 S32 W6 -","- C83.96 H96 P6 S32 W6 -","- C251.88 H288 P18 S96 W18 -","3","0.166667","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0588","0.0388","","","0.0879","0.0969","","","","","","1.12","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001739","12.135","","12.135","","9.184","","90","","90","","120","","1171.23","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr3 Sc (B O3)3","","- B3 O9 Sc Sr3 -","- B3 O9 Sc Sr3 -","- B18 O54 Sc6 Sr18 -","6","0.333333","","Thompson, P.D.; Keszler, D.A.","Structure of Sr3 Sc (B O3)3","Chemistry of Materials (1,1989-)","1994","6","","2005","2007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001859","22.0072","0.0006","22.0072","0.0006","11.2578","0.0004","90","","90","","120","","4721.9","0.2","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 B27 N18 O90 V18 -","- C18 B27 N18 O90 V18 -","- C36 B54 N36 O180 V36 -","2","0.111111","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.54184","CuKα","","0.0717","0.0661","","","0.1826","0.187","","","","","","1.142","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002014","41.604","0.006","41.604","0.006","40.246","0.005","90","","90","","120","","60329","14","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C93 H106 Eu In N6 O22 -","- C63 H35 Eu In O16 -","- C1134 H630 Eu18 In18 O288 -","18","1","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Correction to Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","13","4044","","10.1021/cm5019376","","","0.71073","MoKα","","0.1639","0.1173","","","0.3182","0.3508","","","","","","1.145","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002254","8.3162","","8.3162","","22.459","","90","","90","","120","","1345.15","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li3 Fe2 (P O4)3","","- Fe2 Li3 O12 P3 -","- Fe2 Li3 O12 P3 -","- Fe12 Li18 O72 P18 -","6","0.333333","","Masquelier, C.; Rodriguez-Carvajal, J.; Wurm, C.; Gaubicher, J.; Nazar, L.","A powder neutron diffraction investigation of the two rhombohedral NASICON analogues: gamma-(Na3 Fe2 (P O4)3) and Li3 Fe2 (P O4)3","Chemistry of Materials (1,1989-)","2000","12","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","141041","2020-10-21","18:00:00",""
"4002278","5.91079","","5.91079","","16.7829","","90","","90","","120","","507.795","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(V0.133 Cr0.189) (V0.203 Cr0.797) S2","","- Cr0.986 S2 V0.336 -","- Cr0.986 S2 V0.336 -","- Cr8.874 S18 V3.024 -","9","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141159","2020-10-21","18:00:00",""
"4002317","16.864","","16.864","","12.334","","90","","90","","120","","3037.78","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","(Ti7 (H P O4)6 (P O4)6) (C6 N2 H14)","","- C6 H20 N2 O48 P12 Ti7 -","- C6 N2 O48 P12 Ti7 -","- C18 N6 O144 P36 Ti21 -","3","0.166667","","Liu, Y.-L.; Shi, Z.; Zhang, L.-R.; Hua, J.; Chen, J.-S.; Li, B.-Z.; Fu, Y.-L.; Pang, W.-Q.","Hydrothermal synthesis and characterization of two three-dimensional titanium phosphates","Chemistry of Materials (1,1989-)","2001","13","","2017","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","146867","2020-10-21","18:00:00",""
"4002587","8.39","","8.39","","22.04","","90","","90","","120","","1343.59","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Li1.6 Na0.4 Ti Fe (P O4)3","","- Fe Li1.6 Na0.4 O12 P3 Ti -","- Fe Li1.62 Na0.43 O12 P3 Ti -","- Fe6 Li9.72 Na2.58 O72 P18 Ti6 -","6","0.333333","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002588","8.342","","8.342","","21.951","","90","","90","","120","","1322.9","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","Li1.65 Na0.34 Ti Cr (P O4)3","","- Cr Li1.65 Na0.34 O12 P3 Ti -","- Cr Li1.65 Na0.34 O12 P3 Ti -","- Cr6 Li9.9 Na2.04 O72 P18 Ti6 -","6","0.333333","","Patoux, S.; Rousse, G.; Leriche, J.B.; Masquelier, C.","Structural and electrochemical studies of rhombohedral Na2 Ti M (P O4)3 and Li1.6 Na0.4 Ti M (P O4)3 (M = Fe, Cr) phosphates","Chemistry of Materials (1,1989-)","2003","15","","2084","2093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002647","32.8962","0.0008","32.8962","0.0008","40.309","0.003","90","","90","","120","","37777","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 N3.33 O8 Zn2 -","- C36 H26 N3.33333 O8 Zn2 -","- C648 H468 N60 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.124","0.1083","","","0.3194","0.3445","","","","","","1.228","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002648","32.8817","0.0005","32.8817","0.0005","40.272","0.003","90","","90","","120","","37709","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35.75 H25.8 N3.28 O8 Zn2 -","- C35.745 H25.796 N3.28233 O8 Zn2 -","- C643.41 H464.328 N59.082 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.0931","0.0775","","","0.2572","0.2665","","","","","","1.128","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002825","15.122","0.002","15.122","0.002","74.834","0.015","90","","90","","120","","14820","4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","Zn3Sb2","","","- Sb2 Zn2.91 -","- Sb2 Zn2.91253 -","- Sb252 Zn366.979 -","126","7","","Lo, Chun-Wan Timothy; Ortiz, Brenden R.; Toberer, Eric S.; He, Allan; Svitlyk, Volodymyr; Chernyshov, Dmitry; Kolodiazhnyi, Taras; Lidin, Sven; Mozharivskyj, Yurij","Synthesis, Structure, and Thermoelectric Properties of α-Zn3Sb2 and Comparison to β-Zn13Sb10","Chemistry of Materials","2017","29","12","5249","","10.1021/acs.chemmater.7b01214","","","0.71073","MoKα","","0.1671","0.0891","","","0.1457","0.1812","","","","","","1.134","","","","has coordinates","198354","2020-10-21","18:00:00",""
"4002998","19.4841","0.0015","19.4841","0.0015","29.403","0.002","90","","90","","120","","9666.8","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Ni-MaSOF","","","- C64 H34 N6 Ni3 O6 S0.67 -","- C64 H34 N6 Ni3 O6 -","- C384 H204 N36 Ni18 O36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.066","0.0448","","","0.108","0.1173","","","","","","1.031","","","","has coordinates","220422","2020-10-21","18:00:00",""
"4002999","19.647","0.004","19.647","0.004","29.805","0.006","90","","90","","120","","9964","4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Cu-MaSOF","","","- C76 H70 Cu3 N6 O12 S6 -","- C76 H70 Cu3 N6 O12 S6 -","- C456 H420 Cu18 N36 O72 S36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.1402","0.0803","","","0.1994","0.2395","","","","","","1.033","","","","has coordinates,has disorder","220422","2020-10-21","18:00:00",""
"4003256","13.64075","0.00031","13.64075","","45.4999","0.0013","90","","90","","120","","7331.9","0.3","295","","295","","","","","","","","","7","R -3 :H","-R 3","148","SAPO-SFW as-prepared dehydrated","","","- C3.78 H8.43 Al3 N0.74 O12 P2.25 Si0.75 -","- C3.7814 H8.4318 Al3 N0.9368 O12 P2.25 Si0.75 -","- C68.0652 H151.772 Al54 N16.8624 O216 P40.5 Si13.5 -","18","1","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12935","","1.96","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003257","13.7954","0.00018","13.7954","","44.6461","0.0015","90","","90","","120","","7358.4","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C6)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.04869","","1.64","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003259","13.78419","0.00017","13.78419","0.00017","44.5996","0.0015","90","","90","","120","","7338.8","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C7)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.03949","","1.37","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003260","13.79468","0.00013","13.79468","","44.6557","0.0009","90","","90","","120","","7359.2","0.16","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C8)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06715","","1.65","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003385","81.554","0.003","81.554","0.003","7.1811","0.0003","90","","90","","120","","41363","3","100","2","100.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H86.96 N4 O4 S4 -","- C66 H86.962 N4 O4 S4 -","- C1188 H1565.32 N72 O72 S72 -","18","1","","Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf","Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics","Chemistry of Materials","2018","30","21","7840","","10.1021/acs.chemmater.8b03366","","","1.54178","CuKα","","0.1855","0.1385","","","0.3827","0.4171","","","","","","1.524","","","","has coordinates,has disorder","231559","2020-10-21","18:00:00",""
"4003399","46.45","0.006","46.45","0.006","7.164","0.0014","90","","90","","120","","13386","4","566","2","566","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23 H21 N3 O2 S4 -","- C23 N3 O2 S4 -","- C414 N54 O36 S72 -","18","1","","Shi, Yongqiang; Guo, Han; Qin, Minchao; Wang, Yuxi; Zhao, Jiuyang; Sun, Huiliang; Wang, Hang; Wang, Yulun; Zhou, Xin; Facchetti, Antonio; Lu, Xinhui; Zhou, Ming; Guo, Xugang","Imide-Functionalized Thiazole-Based Polymer Semiconductors: Synthesis, Structure‒Property Correlations, Charge Carrier Polarity, and Thin-Film Transistor Performance","Chemistry of Materials","2018","30","21","7988","","10.1021/acs.chemmater.8b03670","","","0.71073","MoKα","","0.1331","0.1121","","","0.297","0.3136","","","","","","1.655","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4003451","17.3118","0.0007","17.3118","0.0007","21.7019","0.0008","90","","90","","120","","5632.7","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H120 Br12 N6 Pb3 -","- C54 H120 Br12 N6 Pb3 -","- C162 H360 Br36 N18 Pb9 -","3","0.166667","","Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu","Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03893","","","0.71073","MoKα","","0.0231","0.0225","","0.0596","0.0592","0.0596","","","","","","1.0487","","","","has coordinates","246200","2020-10-21","18:00:00",""
"4003528","25.92","0.02","25.92","0.02","6.857","0.006","90","","90","","120","","3990","6","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)1.0","","","- C9 H2 O7.99 Zn2 -","- C9 H2 O8 Zn2 -","- C81 H18 O72 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.1231","0.0752","","","0.1815","0.2071","","","","","","1.089","","","","has coordinates","257097","2020-10-21","18:00:00",""
"4003529","25.931","0.018","25.931","0.018","6.839","0.005","90","","90","","120","","3983","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)2.0","","","- C9.98 H2 O9.96 Zn2 -","- C9.986 H2 O9.966 Zn2 -","- C89.874 H18 O89.694 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.0877","0.0646","","","0.1657","0.1813","","","","","","1.032","","","","has coordinates,has disorder","257097","2020-10-21","18:00:00",""
"4003550","17.348","0.0004","17.348","0.0004","22.6258","0.0006","90","","90","","120","","5897","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Br4 N2 Pb -","- C24 H24 Br4 N2 Pb -","- C216 H216 Br36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0924","0.0452","","","0.0553","0.0666","","","","","","1.013","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003551","17.1827","0.0007","17.1827","0.0007","21.6452","0.0012","90","","90","","120","","5534.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Cl4 N2 Pb -","- C24 H24 Cl4 N2 Pb -","- C216 H216 Cl36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0694","0.0445","","","0.0731","0.0839","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003552","15.4933","0.0003","15.4933","0.0003","24.3672","0.0004","90","","90","","120","","5065.52","0.16","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H18 Br4 N4 O2 Pb -","- C14 H18 Br4 N4 O2 Pb -","- C126 H162 Br36 N36 O18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0532","0.039","","","0.0998","0.107","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003592","40.925","0.004","40.925","0.004","4.6169","0.0006","90","","90","","120","","6696.7","1.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C342 H162 F72 O36 -","9","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0574","0.0467","","","0.1553","0.164","","","","","","1.123","","","","has coordinates","253403","2020-10-21","18:00:00",""
"4003867","13.088","0.003","13.088","0.003","9.592","0.005","90","","90","","120","","1422.9","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba7 O18 Sn -","- B6 Ba7 O18 Sn -","- B18 Ba21 O54 Sn3 -","3","0.166667","","Lin, Yuan; Wang, Guan-E; Li, Lina; Hu, Chun-Li; Lin, Shisheng; Mao, Jiang-Gao","Rare-Earth-Free Barium Borostannate with Deep-Blue Light Emission","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00002","","","0.71073","MoKα","","0.0319","0.029","","","0.0689","0.0696","","","","","","1.195","","","","has coordinates","262080","2021-02-18","23:18:12",""
"4003914","23.4935","0.001","23.4935","0.001","10.6077","0.0007","90","","90","","120","","5070.5","0.5","333","","333","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 N O4 Re -","- C8 H16 N O4 Re -","- C144 H288 N18 O72 Re18 -","18","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0868","0.0696","","","0.1844","0.197","","","","","","1.111","","","","has coordinates,has disorder","264488","2021-04-23","22:26:59",""
"4003916","23.5948","0.0005","23.5948","0.0005","10.6826","0.0003","90","","90","","120","","5150.4","0.2","300","","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 N O4 Re -","- C8 H16 N O4 Re -","- C144 H288 N18 O72 Re18 -","18","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0983","0.0743","","","0.205","0.2213","","","","","","1.019","","","","has coordinates","264490","2021-04-23","22:27:46",""
"4020014","16.6111","0.0004","16.6111","0.0004","14.6749","0.0008","90","","90","","120","","3506.7","0.2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C36 H108 Cl3 Cu24 F18 O36 P21 S36 -","3","0.166667","","Gerald F. Manbeck; Adam J. Lipman; Robert A. Stockland, Jr.; Adrienne L. Freidl; Amy F. Hasler; Joshua J. Stone; Ilia A. Guzei","Organosoluble Copper Clusters as Precatalysts for Carbon-Heteroelement Bond-Forming Reactions: Microwave and Conventional Heating","Journal of Organic Chemistry","2005","70","","244","250","10.1021/jo048761y","","","0.71073","MoKα","","0.0227","0.0218","","","0.057","0.0577","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020202","32.547","0.005","32.547","0.005","12.972","0.003","90","","90","","120","","11900","5","293","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H32 N4 O7 -","- C23 H32 N4 O7 -","- C414 H576 N72 O126 -","18","1","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020206","21.67","0.002","21.67","0.002","23.534","0.002","90","","90","","120","","9570.3","1.5","100","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H120 Cl20 N26 Na7 O72 -","- C60 H120 Cl20 N26 Na7 O72 -","- C180 H360 Cl60 N78 Na21 O216 -","3","0.166667","","Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Lucia Borsari; Claudia Giorgi; Barbara Valtancoli; Carmen Anda; Antoni Llobet","","Journal of Organic Chemistry","2005","70","","4257","4266","10.1021/jo048142p","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020414","14.3192","0.0008","14.3192","0.0008","27.995","0.002","90","","90","","120","","4971.1","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C168 H192 N18 O75 -","- C168 H186 N18 O75.06 -","- C168 H186 N18 O75.06 -","1","0.0555556","","Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer","Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties","Journal of Organic Chemistry","2005","70","","6027","6033","10.1021/jo050717a","","","","","","","","","","0.2175","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020939","24.0134","0.0001","24.0134","0.0001","9.8698","0.0001","90","","90","","120","","4928.86","0.06","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 S6 -","- C32.09 H30 S6 -","- C192.54 H180 S36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020943","24.0399","0.0006","24.0399","0.0006","10.2535","0.0004","90","","90","","120","","5131.8","0.3","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C33.39 H30 Se6 -","- C200.34 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020944","23.907","0.002","23.907","0.002","10.123","0.001","90","","90","","120","","5010.6","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C27 H30 Se6 -","- C162 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020945","24.3194","0.0004","24.3194","0.0004","10.0783","0.0003","90","","90","","120","","5162.1","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H34 S Se6 -","- C31.08 H30 S1.02 Se6 -","- C186.48 H180 S6.12 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020946","24.5363","0.0006","24.5363","0.0006","10.0297","0.0003","90","","90","","120","","5229.2","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H37 N Se6 -","- C32.94 H30 N0.99 Se6 -","- C197.64 H180 N5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020947","24.5326","0.0005","24.5326","0.0005","9.9793","0.0003","90","","90","","120","","5201.4","0.2","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C33 H36 Se6 -","- C33.06 H33 Se6 -","- C198.36 H198 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020948","24.5349","0.0005","24.5349","0.0005","10.0177","0.0003","90","","90","","120","","5222.4","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","10(5)zeta_chlorobenzene","","","- C33 H35 Cl Se6 -","- C32.94 H34.95 Cl0.99 Se6 -","- C197.64 H209.7 Cl5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4021014","37.811","0.003","37.811","0.003","8.1627","0.0007","90","","90","","120","","10106.4","1.3","293.1","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C486 H504 O36 -","18","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4022215","21.67","0.002","21.67","0.002","23.534","0.002","90","","90","","120","","9570.3","1.5","100","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H120 Cl20 N26 Na7 O72 -","- C60 H120 Cl20 N26 Na7 O72 -","- C180 H360 Cl60 N78 Na21 O216 -","3","0.166667","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Samuele Ciattini; Claudia Giorgi; Sauro Maoggi; Piero Paoletti; Barbara Valtancoli","Synthesis of New Tren-Based Tris-Macrocycles. Anion Cluster Assembling Inside the Cavity Generated by a Bowl-Shaped Receptor","Journal of Organic Chemistry","2002","67","","9107","9110","10.1021/jo020474b","","","1.54178","CuKα","","0.0938","0.0834","","","0.2233","0.2342","","","","","","0.972","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022224","27.4345","0.0002","27.4345","0.0004","9.47","0.0001","90","0.001","90","0.001","120","","6172.69","0.12","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","((+/-) 2-[2'-(1',3',4',5',6'-Pentahydropyrimidine)] lactic acid thioanilide zwitterionic","","- C13 H17 N3 O S -","- C13 H17 N3 O S -","- C234 H306 N54 O18 S18 -","18","1","","Barbara Zaleska; Tomasz Bazanek; Robert Socha; Marcin Karelus; Jacek Grochowski; Paweł Serda","Synthesis of Zwitterionic Compounds: Fully Saturated Pyrimidinylium and 1,3-Diazepinylium Derivatives via the Novel Rearrangement of 3-Oxobutanoic Acid Thioanilide Derivatives","Journal of Organic Chemistry","2002","67","","4526","4529","10.1021/jo025602a","","x-ray","0.7107","MoKα","","0.0681","0.0429","","","0.1124","0.1251","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022398","18.555","0.0005","18.555","","15.1127","0.0007","90","","90","","120","","4506","0.2","293.2","","293.2","","","","","","","","","3","R -3 :H","-R 3","148","","","","?","- C36 H42 O3 -","- C216 H252 O18 -","6","0.333333","","Samah Simaan; Jay S. Siegel; Silvio E. Biali","Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and 1,3,5-Triethylbenzene","Journal of Organic Chemistry","2003","68","","3699","3701","10.1021/jo034016u","","","0.7107","MoKalpha","","","0.048","","","0.068","","","","","1.38","1.38","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022458","47.427","0.005","47.427","0.005","12.6667","0.0018","90","","90","","120","","24674","5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C57.56 H63 Cl0.67 N8 O16.22 -","- C57.5533 H62.9933 Cl0.67 N8 O16.22 -","- C1035.96 H1133.88 Cl12.06 N144 O291.96 -","18","1","","Christopher A. Burnett; Dariusz Witt; James C. Fettinger; Lyle Isaacs","Acyclic Congener of Cucurbituril: Synthesis and Recognition Properties","Journal of Organic Chemistry","2003","68","","6184","6191","10.1021/jo034399w","","","0.71073","MoKα","","0.0772","0.0529","","","0.1579","0.1739","","","","","","1.144","","","","has coordinates,has disorder","178403","2020-10-21","18:00:00",""
"4022650","16.6121","0.0008","16.6121","0.0008","25.705","0.002","90","","90","","120","","6143.3","0.7","163","2","163","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H24 O3 -","- C13 H24 O3 -","- C234 H432 O54 -","18","1","","Stacie A. Calad; Jelena Ćirakovč; K. A. Woerpel","Synthesis of (\±)-epi-Stegobinone Utilizing Silacyclopropanes as Synthetic Intermediates","Journal of Organic Chemistry","2007","72","","1027","1030","10.1021/jo0620011","","","0.71073","MoKα","","0.0423","0.0359","","","0.0963","0.1043","","","","","","1.056","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022742","12.2331","0.0007","12.2331","0.0007","27.5112","0.0012","90","","90","","120","","3565.4","0.3","143","1","143","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C9 H15 O -","- C9 H15 O -","- C162 H270 O18 -","18","1","","Gary A. Molander; Barbara Czakó; Michael Rheam","Construction of Bicyclic Ring Systems via a Transannular SmI~2~-Mediated Ketone-Olefin Cyclization Strategy","Journal of Organic Chemistry","2007","72","","1755","1764","10.1021/jo062292d","","","0.71073","MoKα","","0.051","0.0476","","","0.1168","0.1197","","","","","","1.05","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022986","17.5611","0.0011","17.5611","0.0011","19.507","0.0018","90","","90","","120","","5209.8","0.7","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H45 N3 O3 -","- C39 H45 N3 O3 -","- C234 H270 N18 O18 -","6","0.333333","","Monika Mazik; Arno C. Buthe","Oxime-Based Receptors for Mono- and Disaccharides","Journal of Organic Chemistry","2007","72","","8319","8326","10.1021/jo701370g","","","0.71073","MoKα","","0.0839","0.0618","","","0.149","0.1587","","","","","","1.061","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4023312","33.049","0.005","33.049","0.005","12.458","0.004","90","","90","","120","","11784","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H26 N2 S2 -","- C33 H26 N2 S2 -","- C594 H468 N36 S36 -","18","1","","Adam W. Franz; Frank Rominger; Thomas J. J. Müller","Synthesis and Electronic Properties of Sterically Demanding N-Arylphenothiazines and Unexpected Buchwald-Hartwig Aminations","Journal of Organic Chemistry","2008","73","","1795","1802","10.1021/jo702389v","","","0.71073","MoKα","","0.0673","0.0426","","","0.0854","0.0937","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024163","35.611","0.0007","35.611","0.0007","11.908","0.0002","90","","90","","120","","13077.9","0.4","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H28 O4 S4 -","- C30 H28 O4 S4 -","- C540 H504 O72 S72 -","18","1","","Hana Dvořáková; Jan Lang; Jiří Vlach; Jan Sýkora; Michal Čajan; Michal Himl; Michaela Pojarová; Ivan Stibor; Pavel Lhoták","Partially O-Alkylated Thiacalix[4]arenes: Synthesis, Molecular and Crystal Structures, Conformational Behavior","Journal of Organic Chemistry","2007","72","","7157","7166","10.1021/jo070927i","","","0.71073","MoKα","","0.0842","0.0524","","0.0857","0.0594","0.0594","","","","","","1.1035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024325","28.0388","0.0009","28.0388","0.0009","28.6416","0.0012","90","","90","","120","","19500.5","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H31 N5 O3 -","- C20 H31 N5 O3 -","- C720 H1116 N180 O108 -","36","2","","Paweł Dydio; Tomasz Zieliński; Janusz Jurczak","Bishydrazide Derivatives of Isoindoline as Simple Anion Receptors","Journal of Organic Chemistry","2009","74","","1525","1530","10.1021/jo802288u","","","0.71073","MoKα","","0.0969","0.0487","","","0.1467","0.1694","","","","","","1.04","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024751","34.5631","0.0007","34.5631","0.0007","10.203","0.0002","90","","90","","120","","10555.6","0.4","93.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H25 N O10 S -","- C22 H25 N O10 S -","- C396 H450 N18 O180 S18 -","18","1","","Yuki Yoshida; Kunihiko Mohri; Kimiaki Isobe; Toshimasa Itoh; Keiko Yamamoto","Biomimetic Total Synthesis of (\±)-8-Oxoerymelanthine","Journal of Organic Chemistry","2009","74","","6010","6015","10.1021/jo9008645","","","1.54187","CuKα","","","0.056","","","","0.1485","","","","","","0.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024936","18.7559","0.0003","18.7559","0.0003","16.2998","0.0003","90","","90","","120","","4965.79","0.14","150","1","150","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10.67 H17 N2.33 O2 -","- C10.6667 H17 N2.33333 O2 -","- C192 H306 N42 O36 -","18","1","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0466","0.0386","","","0.0936","0.0986","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025100","37.312","0.006","37.312","0.006","10.224","0.003","90","","90","","120","","12327","5","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C35 H33 O P -","- C35.0033 H32.392 O P -","- C630.06 H583.056 O18 P18 -","18","1","","Elena D. Matveeva; Tatyana A. Podrugina; Anna S. Pavlova; Andrey V. Mironov; Anatoliy A. Borisenko; Rolf Gleiter; Nikolay S. Zefirov","Heterocycles from Phosphonium-Iodonium Ylides. Photochemical Synthesis of λ5-Phosphinolines","Journal of Organic Chemistry","2009","74","","9428","9432","10.1021/jo901984q","","","0.71069","MoKα","","0.0361","0.0361","","","0.0457","0.0457","","","","1.14","1.14","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025285","16.61","0.019","16.61","0.008","37.237","0.011","90","","90","","120","","8897","11","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C185.99 H230.96 N12 O27 -","- C185.988 H230.958 N11.997 O27 -","- C371.976 H461.916 N23.994 O54 -","2","0.111111","","Pascal Dimitrov Raytchev; Olivier Perraud; Christophe Aronica; Alexandre Martinez; Jean-Pierre Dutasta","A New Class of C3-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes","Journal of Organic Chemistry","2010","75","","2099","2102","10.1021/jo100052r","","","0.71073","MoKα","","0.1882","0.139","","0.2369","0.161","0.1706","","","","","","1.1275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025613","35.53","0.005","35.53","0.005","5.4355","0.0007","90","","90","","120","","5942.4","1.4","299","","299","","","","","","","","Local laboratory","4","R -3 :H","-R 3","148","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C198 H216 N36 O54 -","18","1","","Marcus Angelin; Martin Rahm; Andreas Fischer; Tore Brinck; Olof Ramström","Diastereoselective One-Pot Tandem Synthesis of 3-Substituted Isoindolinones: A Mechanistic Investigation","Journal of Organic Chemistry","2010","75","","5882","5887","10.1021/jo100868z","","","0.71073","MoKα","","0.127","0.095","","","0.251","0.283","","","","","","1.06","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4026005","15.849","0.005","15.849","0.005","26.95","0.009","90","","90","","120","","5863","3","153","2","153","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C45 H44 O7 -","- C45 H43.99 O7 -","- C270 H263.94 O42 -","6","0.333333","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.0839","0.0835","","","0.24","0.2405","","","","","","1.128","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026006","16.6442","0.0016","16.6442","0.0016","27.928","0.003","90","","90","","120","","6700.3","1.2","153","2","153","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C94 H88 Cl12 O12 -","- C94 H88 Cl12 O12 -","- C282 H264 Cl36 O36 -","3","0.166667","","Tayel A. AlHujran; Louise N. Dawe; Julie Collins; Paris E. Georghiou","Synthesis and Clathrates of Oligomeric 2-O-Naphthoide Macrocycles","Journal of Organic Chemistry","2011","76","","971","973","10.1021/jo101959w","","","0.71075","MoKα","","0.1113","0.1111","","","0.3909","0.3914","","","","","","1.908","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026137","23.832","0.003","23.832","0.003","21.741","0.004","90","","90","","120","","10694","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C75 H69 N15 O6 -","- C75 H69 N15 O6 -","- C450 H414 N90 O36 -","6","0.333333","","Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors","Journal of Organic Chemistry","2011","76","","1804","1813","10.1021/jo102483x","","","1.54178","CuKα","","0.2743","0.1432","","","0.3333","0.3672","","","","","","1.498","","","","has coordinates,has disorder","178440","2020-10-21","18:00:00",""
"4026239","24.797","0.0018","24.797","0.0018","26.391","0.003","90","","90","","120","","14054","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C36.67 H36 O4 -","- C36.6667 H35.99 O4 -","- C660 H647.82 O72 -","18","1","","Tao Wang; Zi-Yang Li; An-Le Xie; Xiao-Jun Yao; Xiao-Ping Cao; Dietmar Kuck","Tribenzotriquinacenes Bearing Six-Fold Benzofuran Extensions: Electron-Rich C3v-Symmetrical Hosts for C60","Journal of Organic Chemistry","2011","76","","3231","3238","10.1021/jo2000918","","","0.71073","MoKα","","0.2088","0.0701","","","0.1643","0.2041","","","","","","0.743","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026359","33.679","0.003","33.679","0.003","13.0553","0.0014","90","","90","","120","","12824","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C29.17 H38.33 Cl0.33 N2 O3 -","- C29.1667 H38 Cl0.333333 N2 O3 -","- C525 H684 Cl6 N36 O54 -","18","1","","Sinan Wang; Lei Zhang; Xiao Ding; Yu Zhou; Jinfang Wang; Hualiang Jiang; Hong Liu","Synthesis of 2-Phenylnaphthalenes through Gold-Catalyzed Dimerization via a Highly Selective Carbon Nucleophile Pathway","Journal of Organic Chemistry","2011","76","","4514","4521","10.1021/jo200352j","","","0.71073","MoKα","","0.1283","0.0637","","","0.1811","0.2101","","","","","","0.837","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026812","40.531","0.003","40.531","0.003","4.3751","0.0004","90","","90","","120","","6224.3","0.9","223","2","223","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H20 N2 O2 -","- C36 H20 N2 O2 -","- C324 H180 N18 O18 -","9","0.5","","Jaebum Lim; Thomas A. Albright; Benjamin R. Martin; Ognjen Š. Miljanić","Benzobisoxazole Cruciforms: Heterocyclic Fluorophores with Spatially Separated Frontier Molecular Orbitals","Journal of Organic Chemistry","2011","76","","10207","10219","10.1021/jo202107w","","","0.71075","MoKα","","0.1226","0.069","","","0.1007","0.1077","","","","","","1.727","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026842","27.8608","0.0008","27.8608","0.0008","16.1433","0.0011","90","","90","","120","","10852","0.9","100","2","100","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0557","0.047","","","0.1271","0.1366","","","","","","1.057","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4027911","38.388","0","38.388","0","12.218","0.002","90","0","90","0","120","0.015","15593","3","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H72 O6 -","- C72 H72 O6 -","- C648 H648 O54 -","9","0.5","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1742","0.155","","","0.312","0.3246","","","","","","1.223","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4028210","21.589","0.003","21.589","0.003","26.933","0.003","90","","90","","120","","10871","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25 H34 B N5 O -","- C25 H34 B N5 O -","- C450 H612 B18 N90 O18 -","18","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0656","0.0576","","","0.1306","0.1358","","","","","","1.107","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028568","12.591","0.0007","12.591","0.0007","43.157","0.005","90","","90","","120","","5925.2","0.8","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37 H49 Cl3 O9 -","- C37 H49 Cl3 O9 -","- C222 H294 Cl18 O54 -","6","0.333333","","Monica Cîrcu; Albert Soran; Niculina Daniela Hădade; Monica Rednic; Anamaria Terec; Ion Grosu","Cryptands with 1,3,5-Tris(1',3'-dioxan-2'-yl)-benzene Units: Synthesis and Structural Investigations","Journal of Organic Chemistry","2013","78","","8722","8729","10.1021/jo401432y","","","0.71073","MoKα","","0.1043","0.0871","","","0.165","0.1734","","","","","","1.15","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028976","36.1535","0.0013","36.1535","0.0013","12.2934","0.0005","90","","90","","120","","13915.6","0.9","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H30 N2 S3 -","- C40 H30 N2 S3 -","- C720 H540 N36 S54 -","18","1","","Kato, Shin-Ichiro; Shimizu, Satoru; Kobayashi, Atsushi; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Systematic structure-property investigations on a series of alternating carbazole-thiophene oligomers.","The Journal of organic chemistry","2014","79","2","618","629","10.1021/jo402416f","","","0.7107","MoKα","","0.0916","0.0906","","","0.2119","0.2131","","","","","","1.202","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4029168","18.3034","0.0014","18.3034","0.0014","40.426","0.008","90","","90","","120","","11729","3","298","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C46 H42 N10 O15 -","- C46 H42 N10 O15 -","- C276 H252 N60 O90 -","6","0.333333","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1723","0.0981","","","0.26","0.2882","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029282","15.319","0.002","15.319","0.002","44.673","0.009","90","","90","","120","","9079","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C150 H90 N30 -","- C150 H90 N30 -","- C450 H270 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0657","0.0588","","","0.1366","0.1413","","","","","","1.155","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029284","20.221","0.003","20.221","0.003","38.779","0.008","90","","90","","120","","13732","4","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C159 H42 N9 -","- C159 H42 N9 -","- C954 H252 N54 -","6","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1448","0.1278","","","0.3207","0.3398","","","","","","1.884","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029292","15.21","0.002","15.21","0.002","44.815","0.009","90","","90","","120","","8979","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C138 H78 N30 -","- C138 H78 N30 -","- C414 H234 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1052","0.1031","","","0.2581","0.2595","","","","","","1.135","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4030871","31.6778","0.0002","31.6778","0.0002","9.0834","0.0002","90","","90","","120","","7893.85","0.19","","","296","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 Cu N2 O3 -","- C20 Cu N2 O3 -","- C360 Cu18 N36 O54 -","18","1","","Yao, H. H.; Huang, W. T.; Lo, J. M.; Liao, F. L.; Wang, S. L.","Molecular structures of two cu5II) complexes with tetradentate imine-phenols","European Journal of Solid State and Inorganic Chemistry","1997","34","","355","366","","","x-ray","0.71073","MoKα","","","0.0537","","","0.0543","","","","","","","1.47","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030909","5.584","0.001","5.584","0.001","41.178","0.008","90","","90","","120","","1112","0.4","","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba2 La4 O18 Ti5 -","- Ba1.998 La4.002 O18 Ti5 -","- Ba5.994 La12.006 O54 Ti15 -","3","0.166667","","Harre, N.; Mercurio, D.; Trolliard, G.; Frit, B.","Crystal structure of Ba~2~La~4~Ti~5~O~18~, member n = 6 of the homologous series (Ba,La)~n~Ti~n-1~O~3n~ of cation deficient perovskite-related compounds","European Journal of Solid State and Inorganic Chemistry","1998","35","1","77","90","10.1016/S0992-4361(98)80016-7","","x-ray","0.71073","MoKα","","","0.0285","","","0.0671","","","","","","","0.85","","","","has coordinates","182187","2020-10-21","18:00:00",""
"4030916","5.53","0.002","5.53","0.002","6.676","0.003","90","","90","","120","","176.81","0.12","","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- La0.82 Mn Na0.13 O2.93 -","- La0.82 Mn Na0.13 O2.94 -","- La2.46 Mn3 Na0.39 O8.82 -","3","0.166667","","Sooryanarayana, K.; Shivakumara, C.; Guru Row, T. N.; Hedge, M. S.","Crystal structure of sodium doped lanthanum orthomanganite","European Journal of Solid State and Inorganic Chemistry","1998","35","3","273","280","10.1016/S0992-4361(98)80008-8","","x-ray","0.71073","MoKα","","","0.034","","","0.11","","","","","","","1.06","","","","has coordinates","182188","2020-10-21","18:00:00",""
"4031214","13.9318","","13.9318","","17.7226","","90","","90","","120","","2979.01","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K2 In12 Se19","","- In12 K2 Se19 -","- In11.916 K1.92 Se18.923 -","- In35.748 K5.76 Se56.769 -","3","0.166667","","Schlosser, M.; Reiner, C.; Deiseroth, H.J.; Kienle, L.","K2 In12 Se19, a complex new structure type based on icosahedral units of Se(2-)","European Journal of Inorganic Chemistry","2001","2001","","2241","2247","","","","","","","","","","","","","","","","","","","","","","has coordinates","147678","2020-10-21","18:00:00",""
"4031323","32.283","0.006","32.283","0.006","21.372","0.004","90","","90","","120","","19290","6","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50.67 H38.67 Cl2 N2 O2 -","- C50.6667 H38 Cl2 N2 O2 -","- C912 H684 Cl36 N36 O36 -","18","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.1321","","","","0.2491","","","","","","1.595","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031595","23.6503","","23.6503","","25.2697","","90","","90","","120","","12240.6","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","K4 (S4 (Re F3)4) (H2 O)3.375","","- F12 H6.75 K4 O3.375 Re4 S4 -","- F12 K4 O3.375 Re4 S4 -","- F288 K96 O81 Re96 S96 -","24","1.33333","","Mironov, Yu.V.; Fedorov, V.E.; Naumov, D.Yu.; Yarovoi, S.S.; Simon, A.; Kozlova, S.G.; Kuratieva, N.V.","First eamples of chalcofluoride rhenium cluster complexes with cubane-like anions (Re4 Q4 F12)4- (Q= S, Se)","European Journal of Inorganic Chemistry","2005","2005","","2476","2479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4032269","27.622","0.008","27.622","0.008","19.122","0.002","90","","90","","120","","12635","5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H26 N4 O3 S -","- C27 H26 N4 O3 S -","- C486 H468 N72 O54 S18 -","18","1","","Hoang, Anita; Popov, Kirill; Somfai, Peter","An Efficient Synthesis of (±)-Dehaloperophoramidine.","The Journal of organic chemistry","2017","82","4","2171","2176","10.1021/acs.joc.6b02969","","x-ray","0.7107","MoKα","","0.2216","0.0905","","","0.152","0.1655","","","","3.36","3.36","1.94","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4032440","14.2403","0.0003","14.2403","0.0003","32.6696","0.0009","90","","90","","120","","5737.4","0.2","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H39 N9 O3 -","- C39 H39 N9 O3 -","- C234 H234 N54 O18 -","6","0.333333","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0672","0.0477","","","0.1245","0.1321","","","","","","1.034","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032952","39.587","0.005","39.587","0.005","9.49","0.003","90","","90","","120","","12880","5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C432 H396 S36 Se72 Si36 -","18","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0697","0.0366","","","0.077","0.0843","","","","","","1","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4033185","36.346","0.0015","36.346","0.0015","5.8926","0.0003","90","","90","","120","","6741.4","0.5","130","2","130","2","","","","","","","","2","R -3 :H","-R 3","148","","compound 7a","","- C20 H18 -","- C20 H18 -","- C360 H324 -","18","1","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0548","0.0415","","","0.108","0.1153","","","","","","1.044","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033564","42.012","0.01","42.012","0.01","6.6491","0.0008","90","","90","","120","","10163","4","120","2","120","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C12 H12 Cd N6 O8 -","- C12 H12 Cd N6 O8 -","- C216 H216 Cd18 N108 O144 -","18","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0757","0.061","","","0.1669","0.176","","","","","","1.2","","","","has coordinates","207839","2020-10-21","18:00:00",""
"4033725","17.46","0.04","17.46","0.04","48.78","0.1","90","","90","","120","","12878","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H30 B F N2 -","- C28 H30 B F N2 -","- C504 H540 B18 F18 N36 -","18","1","","Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong","Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center.","The Journal of organic chemistry","2019","84","5","2732","2740","10.1021/acs.joc.8b03145","","","0.71076","MoKα","","0.0925","0.064","","","0.1689","0.1875","","","","","","1.032","","","","has coordinates","222300","2020-10-21","18:00:00",""
"4034342","27.2621","0.0007","27.2621","0.0007","10.2163","0.0003","90","","90","","120","","6575.7","0.3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C342 H270 N18 O36 -","18","1","","Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.","Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.","The Journal of organic chemistry","2019","84","9","5056","5066","10.1021/acs.joc.8b03267","","","0.71073","MoKα","","0.0636","0.0451","","","0.1045","0.1143","","","","","","1.033","","","","has coordinates","222881","2020-10-21","18:00:00",""
"4034381","37.313","0.003","37.313","0.003","4.8514","0.0005","90","","90","","120","","5849.5","0.9","297","","297.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C288 H180 N36 O36 -","18","1","","Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao","Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.","The Journal of organic chemistry","2019","84","9","5913","5921","10.1021/acs.joc.9b00282","","","1.54178","CuKα","","0.1248","0.0808","","","0.1945","0.2233","","","","","","1.048","","","","has coordinates","222919","2020-10-21","18:00:00",""
"4034806","32.1108","0.0018","32.1108","0.0018","8.1217","0.0005","90","","90","","120","","7252.4","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2,2,5,5-Tetraethyl-3,4-bis(hydroxymethyl)pyrrolidin-1-oxyl","","- C14 H28 N O3 -","- C14 H28 N O3 -","- C252 H504 N18 O54 -","18","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.1199","0.0774","","","0.2323","0.2916","","","","","","1.017","","","","has coordinates","226326","2020-10-21","18:00:00",""
"4035230","22.0812","0.0019","22.0812","0.0019","28.205","0.003","90","","90","","120","","11909.7","1.9","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.33 H27.33 Cl F N2 O3 -","- C29.3333 H27.3333 Cl F N2 O3 -","- C528 H492 Cl18 F18 N36 O54 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.197","0.1088","","","0.2583","0.3117","","","","","","1.083","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035231","27.5889","0.0011","27.5889","0.0011","21.9252","0.0008","90","","90","","120","","14452.5","1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31.33 H30.33 Cl2.67 F3 N2 O3.33 -","- C31.3333 H29.6666 Cl2.6667 F3 N2 O3.33333 -","- C564 H533.999 Cl48.0006 F54 N36 O60 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.1016","0.0804","","","0.1826","0.1875","","","","","","1.888","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035283","28.146","0.01","28.146","0.01","9.275","0.007","90","","90","","120","","6363","6","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C306 H198 Cl18 N36 -","18","1","","Wang, Zi-Xuan; Xiang, Jia-Chen; Cheng, Yan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Direct Biomimetic Synthesis of β-Carboline Alkaloids from Two Amino Acids.","The Journal of organic chemistry","2018","83","19","12247","12254","10.1021/acs.joc.8b01668","","","0.71073","MoKα","","0.0952","0.0534","","","0.1543","0.1802","","","","","","1.026","","","","has coordinates","226749","2020-10-21","18:00:00",""
"4036056","26.0163","0.0018","26.0163","0.0018","6.8761","0.0005","90","","90","","120","","4030.5","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","RCG-0191b","","","- C20.67 H14 N4 O2.33 S0.33 -","- C20.6668 H14.0004 N4 O2.3334 S0.3334 -","- C186.001 H126.004 N36 O21.0006 S3.0006 -","9","0.5","","Garcia, Rosalva C.; Pech, Matthew J.; Sommer, Roger D.; Gorman, Christopher B.","Synthesis of 5,12-Diazapentacenes and Their Properties.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01628","","","0.71073","MoKα","","0.0991","0.0783","","","0.2313","0.2553","","","","","","1.07","","","","has coordinates,has disorder","227735","2020-10-21","18:00:00",""
"4036216","32.791","0.002","32.791","0.002","7.4776","0.0003","90","","90","","120","","6963.1","0.7","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C288 H360 O72 -","18","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.0974","0.0422","","","0.0865","0.1064","","","","","","0.985","","","","has coordinates","234404","2020-10-21","18:00:00",""
"4036226","24.07","0.0012","24.07","0.0012","23.369","0.0011","90","","90","","120","","11725.3","1","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H23 Br N4 O2 -","- C31 H23 Br N4 O2 -","- C558 H414 Br18 N72 O36 -","18","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0634","0.0464","","","0.1251","0.1313","","","","","","1.057","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036329","26.293","0.003","26.293","0.003","10.119","0.002","90","","90","","120","","6058.3","1.5","123","1","123","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C324 H324 N36 -","18","1","","Yella, Ramesh; Gottlieb, Hugo E.; Hoz, Shmaryahu","A [2 + 3] Reductive Cyclodimerization of Quinoline by SmI2.","The Journal of organic chemistry","2015","80","17","8929","8932","10.1021/acs.joc.5b01572","","","0.71073","MoKα","","0.1227","0.121","","","0.2358","0.2372","","","","","","1.282","","","","has coordinates,has disorder","234557","2020-10-21","18:00:00",""
"4036589","17.318","0.005","17.318","0.005","34.804","0.011","90","","90","","120","","9040","5","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C111 H171 B12 Cl9 N12 -","- C111 H170 B12 Cl9 N12 -","- C333.001 H510 B36 Cl27 N36 -","3","0.166667","","Wakabayashi, Shigeharu; Hori, Yuka; Komeda, Seiji; Shimizu, Yuki; Ohki, Yasuhiro; Horiuchi, Misaki; Itoh, Takahito; Sugihara, Yoshikazu; Tatsumi, Kazuyuki","Self-Assembly of 4-(Diethylboryl)pyridine: Crystal Structures of the Cyclic Pentamer and Hexamer and Their Solvent-Dependent Selective Crystallization.","The Journal of organic chemistry","2016","81","6","2399","2404","10.1021/acs.joc.5b02886","","","0.71075","MoKα","","0.1443","0.076","","","0.2098","0.2423","","","","","","0.923","","","","has coordinates","234917","2020-10-21","18:00:00",""
"4037452","41.282","0.0005","41.282","0.0005","14.1626","0.0002","90","","90","","120","","20902.3","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C53.794 H48.186 N4 Ni S -","- C53.794 H48.186 N4 Ni S -","- C968.292 H867.348 N72 Ni18 S18 -","18","1","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.0636","0.0622","","","0.1423","0.1432","","","","","","1.125","","","","has coordinates,has disorder","236168","2020-10-21","18:00:00",""
"4038464","37.052","0.006","37.052","0.006","7.5084","0.0014","90","","90","","120","","8927","3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H16 O5 -","- C78 H54 O12 -","- C468 H324 O72 -","6","0.333333","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.1596","0.1231","","","0.4071","0.437","","","","","","1.793","","","","has coordinates","252952","2020-10-21","18:00:00",""
"4060017","21.5254","0.0013","21.5254","0.0013","14.173","0.0012","90","","90","","120","","5687.2","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10.17 H11 Cl0.25 N O P2 -","- C10.1667 H15 Cl0.253333 N O P2 -","- C183 H270 Cl4.56 N18 O18 P36 -","18","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.7107","MoKα","","0.1287","0.0628","","","0.1682","0.1949","","","","","","0.987","","","","has coordinates","270066","2021-10-23","16:45:43",""
"4060220","34.5914","0.0006","34.5914","0.0006","41.4059","0.0012","90","","90","","120","","42907.1","1.6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23.8 H29.9 Br1.22 Fe0.61 N3.05 O0.61 -","- C23.7966 H29.8983 Br1.22034 Fe0.610169 N3.05085 O0.610169 -","- C1404 H1764 Br72 Fe36 N180 O36 -","59","3.27778","","Andreas A. Danopoulos; Nikolaos Tsoureas; Joseph A. Wright; Mark E. Light","N-Heterocyclic Pincer Dicarbene Complexes of Iron(II): C-2 and C-5 Metalated Carbenes on the Same Metal Center","Organometallics","2004","23","","166","168","10.1021/om0341911","","","0.71073","MoKα","","0.3149","0.0925","","","0.2065","0.2852","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060488","15.923","0.0012","15.923","0.0012","29.4013","0.0016","90","","90","","120","","6455.8","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H6 Br F15 Si -","- C21 H6 Br F15 Si -","- C252 H72 Br12 F180 Si12 -","12","0.666667","","Merle, Philippe G.; Cheron, Virginie; Hagen, Henk; Lutz, Martin; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard","Fluorous Zirconocene(IV) Complexes and their Olefin Polymerization Activity in Toluene and Fluorous Biphasic Solvent Systems","Organometallics","2005","","","","","10.1021/om049507z","","","","","","","","","","","","","","","","","","","","","has coordinates","178493","2020-10-21","18:00:00",""
"4061824","36.7765","0.0016","36.7765","0.0016","14.4639","0.0011","90","","90","","120","","16941.7","1.7","133","2","133","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32.33 H52.33 Au2 Cl N4 -","- C32.3333 H52.3333 Au2 Cl N4 -","- C582 H942 Au36 Cl18 N72 -","18","1","","","","Organometallics","2005","","","","","10.1021/om050418b","","","","","","","","","","","","","","","","","","","","","has coordinates","178515","2020-10-21","18:00:00",""
"4061848","18.565","0.002","18.565","","15.904","0.004","90","","90","","120","","4747.1","1.3","253","2","253","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H50 N2 Ru3 -","- C31 H45 N2 Ru3 -","- C186 H270 N12 Ru18 -","6","0.333333","","Yumiko Nakajima; Hiroharu Suzuk","Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear Pentahydride Complex of Ruthenium, (Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5)","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178515","2020-10-21","18:00:00",""
"4062044","15.621","0.006","15.621","0.006","27.707","0.006","90","","90","","120","","5855","3","183","2","183","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H17 Na O P2 -","- C7 H16.36 Na O P2 -","- C126 H294.48 Na18 O18 P36 -","18","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178500","2020-10-21","18:00:00",""
"4063246","42.467","0.006","42.467","0.006","9.69","0.002","90","","90","","120","","15134","4","293","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H38 F6 Fe P4 -","- C24 H38 F6 Fe P4 -","- C432 H684 F108 Fe18 P72 -","18","1","","Andrew R. Battle; Peter G. Edwards; Robert Haigh; David E. Hibbs; Dongmei Li; Sam M. Liddiard; Paul D. Newman","Synthesis and Characterization of Iron(II) Complexes of 10- and 11-Membered Triphosphamacrocycles","Organometallics","2007","26","","377","386","10.1021/om060798g","","","0.71073","MoKα","","0.1045","0.0771","","","0.2155","0.2286","","","","","","1.08","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063795","49.283","0.003","49.283","0.003","12.846","0.0005","90","","90","","120","","27020","3","223","2","223","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C53 H41 B Cl2 F15 Fe P -","- C53 H41 B Cl2 F15 Fe P -","- C954 H738 B18 Cl36 F270 Fe18 P18 -","18","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.2002","0.1201","","","0.3184","0.3448","","","","","","1.903","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4064166","30.138","0.004","30.138","0.004","17.795","0.004","90","","90","","120","","13998","4","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","In(O2N_py)CH2SiMe3","","- C28 H37 In N2 O2 Si -","- C28 H37 In N2 O2 Si -","- C504 H666 In18 N36 O36 Si18 -","18","1","","Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip","Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2011","30","5","1202","","10.1021/om101166s","","","0.71073","MoKα","","0.0552","0.0382","","0.0344","0.0303","0.0293","","","","","","1.1067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064187","41.697","0.0005","41.697","0.0005","11.043","0.0005","90","","90","","120","","16627.5","0.8","173","1","173","1","","","","","","","","5","R -3 :H","-R 3","148","Compound X","","","- C40.5 H34 Cl2 N2 Pt2 -","- C40 H33 Cl N2 Pt2 -","- C720 H594 Cl18 N36 Pt36 -","18","1","","Berenguer, Jesús R.; Díez, Álvaro; García, Ana; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio; Torroba, Javier","Remarkable Influence of the Cyclometalating Ligand on the Nuclearity and Properties of Heterobridged (μ-X)(μ-C≡CR) Platinum(II) Complexes","Organometallics","2011","30","6","1646","","10.1021/om101172p","","","0.71073","MoKα","","0.0544","0.0315","","","0.0601","0.0634","","","","","","1.065","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064398","32.426","0.003","32.426","0.003","10.974","0.0008","90","","90","","120","","9992.7","1.5","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H20 Mn O2 P -","- C26 H20 Mn O2 P -","- C468 H360 Mn18 O36 P18 -","18","1","","Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.","Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations","Organometallics","2011","30","8","2318","","10.1021/om2000772","","x-ray","0.71073","MoKα","","0.0679","0.0608","","","0.1759","0.1848","","","","","","1.075","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064417","44.9814","0.0005","44.9814","0.0005","11.4942","0.0001","90","","90","","120","","20140.7","0.4","183","2","183","2","","","","","","","","8","R -3 :H","-R 3","148","","Acetonitrile-dibromo-(2,2'-bis(diphenylphosphino)diphenylether-P,P')-nitrosyl-rhenium(I) dichloromethane tetrahydrofuran solvate","","- C80.33 H70.67 Br4 Cl0.67 N4 O5 P4 Re2 -","- C80.34 H70.68 Br4 Cl0.68 N4 O5 P4 Re2 -","- C723.06 H636.12 Br36 Cl6.12 N36 O45 P36 Re18 -","9","0.5","","Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz","Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines","Organometallics","2011","30","11","2986","","10.1021/om200092y","","","0.71073","MoKα","","0.0422","0.0303","","","0.0962","0.098","","","","","","1.12","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4065054","30.207","0.01","30.207","0.01","7.786","0.005","90","","90","","120","","6153","5","180","2","180","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C17 H17 P -","- C17 H17 P -","- C306 H306 P18 -","18","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.1123","0.0675","","","0.1541","0.1812","","","","","","0.986","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065344","27.489","0.0016","27.489","0.0016","28.0813","0.0014","90","","90","","120","","18376.6","1.8","90","2","90","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H47 Cs N2 O0.5 P2 -","- C43 H43 Cs N2 P2 -","- C774 H774 Cs18 N36 P36 -","18","1","","Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)","Organometallics","2011","30","20","5326","","10.1021/om200729x","","","1.5418","CuKα","","0.072","0.0569","","","0.141","0.149","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4065523","18.451","0.004","18.451","0.004","15.731","0.004","90","","90","","120","","4638","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H46 O2 Os2 Ru -","- C30 H45 O2 Os2.01 Ru0.99 -","- C180 H270 O12 Os12.06 Ru5.94 -","6","0.333333","","Kameo, Hajime; Nakajima, Yumiko; Namura, Kyo; Suzuki, Hiroharu","Heterometallic Effects in Nitrogen‒Hydrogen Bond Cleavage by Trinuclear Mixed-Metal Polyhydrido Clusters Containing Ruthenium and Osmium","Organometallics","2011","30","24","6703","","10.1021/om200901j","","","0.71069","MoKα","","0.0266","0.024","","","0.0627","0.0639","","","","","","1.104","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065524","18.4828","0.0007","18.4828","0.0007","15.7459","0.0004","90","","90","","120","","4658.4","0.3","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H46 O2 Os3 -","- C32 H45 Os3 -","- C192 H270 Os18 -","6","0.333333","","Kameo, Hajime; Nakajima, Yumiko; Namura, Kyo; Suzuki, Hiroharu","Heterometallic Effects in Nitrogen‒Hydrogen Bond Cleavage by Trinuclear Mixed-Metal Polyhydrido Clusters Containing Ruthenium and Osmium","Organometallics","2011","30","24","6703","","10.1021/om200901j","","","0.71069","MoKα","","0.0253","0.0239","","","0.0636","0.0644","","","","","","1.085","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065861","33.4216","0.001","33.4216","0.001","12.6432","0.0003","90","","90","","120","","12230.4","0.6","173","2","173","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C58.33 H82.66 Cl0.66 Hg N4 -","- C58 H82 Hg N4 -","- C522 H738 Hg9 N36 -","9","0.5","","Ferro, Lorenzo; Coles, Martyn P.; Day, Iain J.; Fulton, J. Robin","Taking Advantage of Hg−C Bonds: Synthesis of the First Homoleptic Bis-β-diketiminate Complex Bound through the γ-Carbons","Organometallics","2010","29","13","2911","","10.1021/om100167e","","x-ray","0.7107","MoKα","","0.0416","0.0327","","","0.0597","0.0623","","","","","","1.031","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065985","29.948","0.005","29.948","0.005","10.397","0.005","90","","90","","120","","8076","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H41 Cl2 N2 O0.5 Pd2 -","- C36 H41 Cl2 N2 O0.5 Pd2 -","- C324 H369 Cl18 N18 O4.5 Pd18 -","9","0.5","","Vázquez-García, Digna; Fernández, Alberto; López-Torres, Margarita; Rodríguez, Antonio; Gómez-Blanco, Nina; Viader, Carlos; Vila, José M.; Fernández, Jesús J.","Versatile Behavior of the Schiff Base Ligand 2,5-Me2C6H3C(H)═N(2,4,6-Me3C6H2) toward Cyclometalation Reactions: C(sp2,phenyl)−H vs C(sp3,methyl)−H Activation","Organometallics","2010","29","15","3303","","10.1021/om100238w","","","0.71073","MoKα","","0.0621","0.0329","","","0.0943","0.1312","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066266","15.968","0.002","15.968","0.002","11.19","0.002","90","","90","","120","","2470.9","0.6","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H54 Ge8 -","- C18 H54 Ge8 -","- C54 H162 Ge24 -","3","0.166667","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph","Polygermane Building Blocks†","Organometallics","2010","29","21","5289","","10.1021/om100377n","","","0.71073","MoKα","","0.02","0.0179","","","0.0458","0.0465","","","","","","1.038","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066551","32.0355","0.0004","32.0355","0.0004","26.2917","0.0006","90","","90","","120","","23367.5","0.7","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","Sm(O2N_Pr)(BH4)(THF)2 . 0.3 (C5H12)","","- C42.5 H74.6 B N O4 Sm -","- C42.5 H74.6 B N O4 Sm -","- C765 H1342.8 B18 N18 O72 Sm18 -","18","1","","Dyer, Hellen E.; Huijser, Saskia; Susperregui, Nicolas; Bonnet, Fanny; Schwarz, Andrew D.; Duchateau, Robbert; Maron, Laurent; Mountford, Philip","Ring-Opening Polymerization ofrac-Lactide by Bis(phenolate)amine-Supported Samarium Borohydride Complexes: An Experimental and DFT Study","Organometallics","2010","29","16","3602","","10.1021/om100513j","","","0.71073","MoKα","","0.0715","0.0394","","0.0512","0.039","0.039","","","","","","1.0564","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066621","23.8356","0.0001","23.8356","0.0001","29.0459","0.0004","90","","90","","120","","14291.2","0.2","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","in manuscript 4a","","","- C28 H31 Au Cl4 N2 -","- C28 H31 Au Cl4 N2 -","- C504 H558 Au18 Cl72 N36 -","18","1","","Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael","Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis","Organometallics","2010","29","20","4448","4458","10.1021/om1005484","","","0.71073","MoKα","","0.0623","0.0389","","","0.0947","0.1054","","","","","","1.051","","","","has coordinates,has disorder","269227","2021-09-21","12:59:03",""
"4067467","27.73","0.002","27.73","0.002","11.6194","0.0007","90","","90","","120","","7737.7","0.9","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H13 B7 Fe N2 O3 -","- C10 H13 B7 Fe N2 O3 -","- C180 H234 B126 Fe18 N36 O54 -","18","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Toward Supramolecular Assembly of 10-Vertex {closo-2,1,10-FeC2B7} Clusters: Intramolecular Imidate Formation and Polymetallic, Polycluster Species","Organometallics","2010","29","10","2234","","10.1021/om900970x","","","0.71073","MoKα","","0.0531","0.0379","","","0.0923","0.0979","","","","","","1.049","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067668","15.3769","0.0013","15.3769","0.0013","34.068","0.004","90","","90","","120","","6976.1","1.2","298","1","298","1","101","2","101","2","","","See text","7","R -3 :H","-R 3","148","","","","- C37.38 H14.76 Cl5.76 F16 Os P S3 -","- C36 H12 Cl3 F16 Os P S3 -","- C216 H72 Cl18 F96 Os6 P6 S18 -","6","0.333333","","Mendoza, Consuelo; Bernès, Sylvain; Torrens, Hugo; Arroyo, Maribel","Carbon−Fluorine Bond Activation in Thermolysis Reactions of the Osmium(IV) Perfluorothiolate Compounds [Os(SC6F5)4(P(C6H4X-4)3)] (X = CF3, Cl, F, H, CH3, and OCH3)","Organometallics","2010","29","12","2646","","10.1021/om901065g","","","0.71073","MoKα","","0.0919","0.0521","","","0.1119","0.1238","","","","","","1.011","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4068208","50.829","0.008","50.829","0.008","11.144","0.002","90","","90","","120","","24934","7","113","2","113","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H70 Ca N4 O Si2 -","- C48 H70 Ca N4 O Si2 -","- C864 H1260 Ca18 N72 O18 Si36 -","18","1","","Hu, Hongfan; Cui, Chunming","Synthesis of Calcium and Ytterbium Complexes Supported by a Tridentate Imino-Amidinate Ligand and Their Application in the Intermolecular Hydrophosphination of Alkenes and Alkynes","Organometallics","2012","31","3","1208","","10.1021/om201223j","","","0.71073","MoKα","","0.1316","0.105","","","0.2527","0.2716","","","","","","1.147","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068209","54.906","0.0005","54.906","","14.2772","0.0002","90","","90","","120","","37274.6","0.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H133 Br P2 Pt Si8 -","- C66 H133 Br P2 Pt Si8 -","- C1188 H2394 Br18 P36 Pt18 Si144 -","18","1","","Agou, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of an Arylbromosilylene‒Platinum Complex by Using a 1,2-Dibromodisilene As a Silylene Source","Organometallics","2012","31","3","1150","","10.1021/om201227p","","","0.71075","MoKα","","0.0569","0.0428","","","0.1216","0.134","","","","","","1.074","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068493","40.653","0.003","40.653","0.003","9.8092","0.001","90","","90","","120","","14039","2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","02041zzc","","","- C30 H21 Cl2 Ga2 N3 -","- C30 H21 Cl2 Ga2 N3 -","- C540 H378 Cl36 Ga36 N54 -","18","1","","Kilyanek, Stefan M.; Fang, Xiangdong; Jordan, Richard F.","Synthesis and Reactivity of a Tetragallium Macrocycle","Organometallics","2009","28","1","300","","10.1021/om800902d","","","0.71073","MoKα","","0.038","0.0305","","","0.0841","0.0881","","","","","","1.07","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4069061","28.028","0.003","28.028","0.003","25.567","0.004","90","","90","","120","","17394","4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C186 H354 Cs6 O19 P18 Si2 -","- C186 H354 Cs6 O18.9 P18 Si2 -","- C558 H1062 Cs18 O56.7 P54 Si6 -","3","0.166667","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Schiffhauer, Matthew F.; Davidson, Fredric; McEwen, Charles N.","Highly Unsaturated Phosphorus Compounds: Generation and Reactions on Both Multiple Bonds of Vinyl Phosphaalkyne†","Organometallics","2009","28","8","2410","","10.1021/om801224d","","","0.71073","MoKα","","0.1087","0.0657","","","0.1746","0.2224","","","","","","1.008","","","","has coordinates,has disorder","178507","2020-10-21","18:00:00",""
"4069147","18.312","0.0009","18.312","0.0009","25.8739","0.0009","90","","90","","120","","7513.9","0.6","183","2","183","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H48 Mg2 O6 -","- C30 H48 Mg2 O6 -","- C270 H432 Mg18 O54 -","9","0.5","","Langer, Jens; Krieck, Sven; Fischer, Reinald; Görls, Helmar; Walther, Dirk; Westerhausen, Matthias","1,4-Dioxane Adducts of Grignard Reagents: Synthesis, Ether Fragmentation Reactions, and Structural Diversity of Grignard Reagent/1,4-Dioxane Complexes","Organometallics","2009","28","19","5814","","10.1021/om9000567","","","0.71073","MoKα","","0.1144","0.0682","","","0.1778","0.2124","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069259","35.9388","0.0009","35.9388","0.0009","10.4874","0.0005","90","","90","","120","","11730.7","0.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23 H33 Cl2 N2 P Pd -","- C23 H33 Cl2 N2 P Pd -","- C414 H594 Cl36 N36 P18 Pd18 -","18","1","","Ho, Chien-Chang; Chatterjee, Sandipan; Wu, Tzu-Liang; Chan, Kai-Ting; Chang, Yu-Wei; Hsiao, Tsun-Hung; Lee, Hon Man","Direct Arylation Mediated by Palladium Complexes with Rigid Phosphine-Functionalized N-Heterocyclic Carbenes","Organometallics","2009","28","9","2837","","10.1021/om900112y","","x-ray","0.71073","MoKα","","0.1154","0.0665","","","0.2001","0.2297","","","","","","1.047","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069977","36.8599","0.0003","36.8599","0.0004","9.8707","0.0004","90","","90","","120","","11614.1","0.5","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31.17 H31.67 N O1.17 -","- C31.1667 H31 N O1.16667 -","- C561 H558 N18 O21 -","18","1","","Enk, Barbara; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Bildstein, Benno","An Efficient, Modular Route to New 2-Acyl-6-aminopentafulvenes and Planar-Chiral [N,O]-Functionalized Pentamethylruthenocenes","Organometallics","2009","28","18","5575","","10.1021/om900549c","","","0.71073","MoKα","","0.0633","0.0466","","","0.1254","0.1347","","","","","","1.053","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070443","43.952","0.0016","43.952","0.0016","11.9031","0.0005","90","","90","","120","","19913.5","1.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41 H35 Mn O4 P2 -","- C41 H35 Mn O4 P2 -","- C738 H630 Mn18 O72 P36 -","18","1","","Elowe, Paul R.; West, Nathan M.; Labinger, Jay A.; Bercaw, John E.","Transformations of Group 7 Carbonyl Complexes: Possible Intermediates in a Homogeneous Syngas Conversion Scheme","Organometallics","2009","28","21","6218","","10.1021/om900804j","","","0.71073","MoKα","","0.0713","0.0419","","","0.0766","0.0783","","","","","","1.519","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4070557","36.9644","0.001","36.9644","0.001","7.2845","0.0004","90","","90","","120","","8619.8","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H28 Cl2 N3 Rh -","- C16 H28 Cl2 N3 Rh -","- C288 H504 Cl36 N54 Rh18 -","18","1","","Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Gierz, Verena; Lahoz, Fernando J.; Oro, Luis A.","Rhodium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient Alkyne Hydrosilylation Catalysts","Organometallics","2008","27","2","224","","10.1021/om700728a","","","0.71073","MoKα","","0.036","0.0289","","","0.0658","0.0684","","","","","","1.021","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4071025","26.3433","0.0007","26.3433","0.0007","21.6192","0.0004","90","","90","","120","","12993","0.5","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C82 H92 Cl8 N3 O12 P3 Ru3 -","- C81.99 H91.98 Cl7.99 N3 O12 P3 Ru3 -","- C491.94 H551.88 Cl47.94 N18 O72 P18 Ru18 -","6","0.333333","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.1445","0.0693","","","0.1851","0.2267","","","","","","1.044","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071244","49.621","0.0002","49.621","","25.425","0.0001","90","","90","","120","","54215.4","0.3","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H55 Fe3 O2 P3 S3 -","- C56.0057 H55.0114 Fe3 O2.00143 P3 S3 -","- C2352.24 H2310.48 Fe126 O84.06 P126 S126 -","42","2.33333","","Mizuta, Tsutomu; Aotani, Tomoyuki; Imamura, Yuki; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Structure and Properties of the Macrocyclic Tridentate Ferrocenylphosphine Ligand (−PhPC5H4FeC5H4−)3","Organometallics","2008","27","11","2457","","10.1021/om800057w","","","0.71069","MoKα","","0.045","0.0415","","","0.1108","0.1136","","","","","","1.053","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071537","14.638","0.0005","14.638","0.0005","101.57","0.007","90","","90","","120","","18847.8","1.6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C99 H210 Mn2 Na O9 S7 Si6 -","- C99 H210 Mn2 Na O9 S6.97 Si6 -","- C594 H1260 Mn12 Na6 O54 S41.82 Si36 -","6","0.333333","","Kückmann, Theresa I.; Schödel, Frauke; Sänger, Inge; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3]","Organometallics","2008","27","13","3272","","10.1021/om800211k","","","0.71073","MoKα","","0.1766","0.1075","","","0.2847","0.3175","","","","","","1.036","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071634","24.993","0.004","24.993","0.004","7.3862","0.0018","90","","90","","120","","3995.7","1.3","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H22 O2 S2 -","- C20 H22 O2 S2 -","- C180 H198 O18 S18 -","9","0.5","","Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A.","Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes","Organometallics","2008","27","16","4056","","10.1021/om800282h","","","0.71073","MoKα","","0.057","0.0457","","","0.1085","0.1147","","","","","","1.108","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071993","11.6044","0.0014","11.6044","0.0014","23.935","0.004","90","","90","","120","","2791.3","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H22 B2 Mn2 N12 O6 -","- C29.96 H21.96 B2 Mn2 N12 O6 -","- C89.88 H65.88 B6 Mn6 N36 O18 -","3","0.166667","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.1152","0.0645","","","0.148","0.1704","","","","","","0.994","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071995","30.2192","0.0012","30.2192","0.0012","8.4832","0.0007","90","","90","","120","","6709","0.7","85","2","85","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38 H34 B2 -","- C38 H34 B2 -","- C342 H306 B18 -","9","0.5","","Chen, Jinhui; Kampf, Jeff W.; Ashe, Arthur J.","Syntheses and Structures of 6,13-Dihydro-6,13-diborapentacenes: π-Stacking in Heterocyclic Analogues of Pentacene","Organometallics","2008","27","15","3639","","10.1021/om8005068","","","0.71073","MoKα","","0.0554","0.0494","","","0.1315","0.1385","","","","","","1.043","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4072759","31.688","0.009","31.688","0.009","22.273","0.007","90","","90","","120","","19369","10","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H40 N6 O3 Pd -","- C45 H40 N6 O3 Pd -","- C810 H720 N108 O54 Pd18 -","18","1","","Liao, Chuang-Yi; Chan, Kai-Ting; Zeng, Jing-Yao; Hu, Ching-Han; Tu, Cheng-Yi; Lee, Hon Man","Nonchelate and Chelate Complexes of Palladium(II) with N-Heterocyclic Carbene Ligands of Amido Functionality","Organometallics","2007","26","7","1692","","10.1021/om0610041","","x-ray","0.71073","MoKα","","0.2263","0.0705","","","0.1492","0.2141","","","","","","0.955","","","","has coordinates,has disorder","178616","2020-10-21","18:00:00",""
"4072907","46.107","0.003","46.107","0.003","13.1715","0.0012","90","","90","","120","","24249","3","113","2","113","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C58 H67 Al N2 O5 S2 -","- C58 H67 Al N2 O5 S2 -","- C1044 H1206 Al18 N36 O90 S36 -","18","1","","Zhao, Jian; Song, Haibin; Cui, Chunming","Synthesis and Reactions of Aluminum Sulfonamide Alkyls and Hydride","Organometallics","2007","26","8","1947","","10.1021/om0611296","","","0.7107","MoKα","","0.1487","0.1206","","","0.2077","0.2192","","","","","","1.285","","","","has coordinates,has disorder","178618","2020-10-21","18:00:00",""
"4073103","18.573","0.0008","18.573","0.0008","25.1943","0.0015","90","","90","","120","","7526.6","0.6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H66 N6 Yb -","- C54 H66 N6 Yb -","- C324 H396 N36 Yb6 -","6","0.333333","","Trifonov, Alexander A.; Fedorova, Elena A.; Borovkov, Ivan A.; Fukin, Georgy K.; Baranov, Evguenii V.; Larionova, Joulia; Druzhkov, Nikolai O.","Steric Manipulation of the Reductive Reactivity of Ytterbocenes toward 2-(((2,6-Diisopropylphenyl)imino)methyl)pyridine: Insertion of the NC Bond into the Yb−Indenyl Bond or Oxidative Cleavage of the η5Yb−Cp (Cp = C13H9, Cp*) Bond","Organometallics","2007","26","10","2488","","10.1021/om070073s","","","0.71073","MoKα","","0.0365","0.0304","","","0.0824","0.085","","","","","","1.088","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4074151","38.6251","0.0016","38.6251","0.0016","15.0965","0.0006","90","","90","","120","","19505","1.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H36 Cl O12 P2 Rh -","- C42 H36 Cl O12 P2 Rh -","- C756 H648 Cl18 O216 P36 Rh18 -","18","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1065","0.0789","","","0.2199","0.2446","","","","","","1.03","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4075198","15.5325","0.0013","15.5325","0.0013","16.275","0.003","90","","90","","120","","3400.4","0.7","213","2","213","2","","","","","","","","3","R -3 :H","-R 3","148","","NOTE: This is compund 2","","- C24 H27 Ge2 -","- C24 H27 Ge2 -","- C144 H162 Ge12 -","6","0.333333","","Subashi, Esla; Rheingold, Arnold L.; Weinert, Charles S.","Preparation of Oligogermanes via the Hydrogermolysis Reaction","Organometallics","2006","25","13","3211","","10.1021/om060115x","","","0.71073","MoKα","","0.0377","0.0333","","","0.0932","0.0955","","","","","","1.227","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075422","19.1723","0.0016","19.1723","0.0016","24.043","0.004","90","","90","","120","","7653.6","1.6","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","biphenyl zirconocene","zirconocene 2,2'-biphenyldiyl","","- C22 H18 Zr -","- C22 H18 Zr -","- C396 H324 Zr18 -","18","1","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0735","0.0398","","","0.0865","0.092","","","","","","0.866","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075797","44.0085","0.0005","44.0085","0.0005","8.6969","0.0001","90","","90","","120","","14587.1","0.3","208","2","208","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H36 O9 Ru -","- C28 H36 O9 Ru -","- C504 H648 O162 Ru18 -","18","1","","Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles","Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)","Organometallics","2005","24","12","2875","","10.1021/om050018o","","","0.71073","MoKα","","0.0753","0.0458","","","0.1102","0.1247","","","","","","1.089","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075960","25.14","0.004","25.14","0.004","59.228","0.012","90","","90","","120","","32418","10","293","2","293","2","","","","","","","","10","R -3 :H","-R 3","148","","","","- C67 H56.67 Ag4.33 Au2 Cl0 F10 N0 O P2 Sb1.67 -","- C66.9733 Ag4.33333 Au2 F10.04 O P2 Sb1.67333 -","- C1205.52 Ag78 Au36 F180.72 O18 P36 Sb30.12 -","18","1","","Wei, Qiao-Hua; Zhang, Li-Yi; Yin, Gang-Qiang; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent Au6Ag13Cage Compounds of Arylacetylides, Metastable Intermediates to Au5Ag8Complexes of {1,2,3-C6(C6H4R-4)3}3-(R = H, CH3, But)","Organometallics","2005","24","16","3818","","10.1021/om050363d","","","0.8","MoKα","","0.1232","0.0975","","","0.3007","0.3291","","","","","","1.083","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075973","22.1954","0.0006","22.1954","0.0006","6.4285","0.0002","90","","90","","120","","2742.62","0.14","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","trimethylindium - rhombohedral form","","- C3 H9 In -","- C3 H9 In -","- C54 H162 In18 -","18","1","","Lewiński, Janusz; Zachara, Janusz; Starowieyski, Kazimierz B.; Justyniak, Iwona; Lipkowski, Janusz; Bury, Wojciech; Kruk, Przemysław; Woźniak, Robert","A Second Polymorphic Form of Trimethylindium: Topology of Supramolecular Architectures of Group 13 Trimethyls","Organometallics","2005","24","20","4832","","10.1021/om050386s","","","0.71073","MoKα","","0.0245","0.0235","","","0.0564","0.0568","","","","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076085","42.2752","0.0007","42.2752","0.0007","9.0004","0.0003","90","","90","","120","","13930.4","0.6","173.2","","173.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H43 N2 P Ru Si2 -","- C32 H43 N2 P Ru Si2 -","- C576 H774 N36 P18 Ru18 Si36 -","18","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.0502","0.028","","0.0759","","0.0759","","","0.875","","","0.875","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076178","15.4695","0.0008","15.4695","0.0008","16.6565","0.0012","90","","90","","120","","3452","0.4","158","2","158","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H39 Lu -","- C27 H39 Lu -","- C162 H234 Lu6 -","6","0.333333","","Evans, William J.; Lee, David S.; Johnston, Matthew A.; Ziller, Joseph W.","The Elusive (C5Me4H)3Lu: Its Synthesis and LnZ3/K/N2Reactivity","Organometallics","2005","24","26","6393","","10.1021/om050709k","","","0.71073","MoKα","","0.0253","0.0244","","","0.0644","0.065","","","","","","1.221","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4078009","13.1949","0.0008","13.1949","0.0008","32.321","0.003","90","","90","","120","","4873.4","0.6","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H60 Al3 Ba K -","- C24 H60 Al3 Ba K -","- C144 H360 Al18 Ba6 K6 -","6","0.333333","","Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements","Organometallics","2012","31","8","3119","","10.1021/om300032c","","","0.71073","MoKα","","0.0411","0.0394","","","0.1033","0.1041","","","","","","1.19","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4079397","19.072","0.003","19.072","0.003","54.419","0.016","90","","90","","120","","17142","6","193","2","193","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C130 H122 Cu4 K2 N12 O S6 -","- C130 H122 Cu4 K2 N12 O S6 -","- C780 H732 Cu24 K12 N72 O6.00001 S36 -","6","0.333333","","Chen, Chaohuang; Weng, Zhiqiang; Hartwig, John F.","Synthesis of Copper(I) Thiolate Complexes in the Thioetherification of Aryl Halides.","Organometallics","2012","31","22","8031","8037","10.1021/om300711c","","","0.71073","MoKα","","0.0697","0.0381","","","0.0922","0.1019","","","","","","0.971","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079406","44.082","0.005","44.082","0.005","22.826","0.003","90","","90","","120","","38413","8","93","","93","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C89 H71 Cl2 N3 Ru -","- C89 H71 Cl2 N3 Ru -","- C1602 H1278 Cl36 N54 Ru18 -","18","1","","Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr","Organometallics","2012","31","18","6514","","10.1021/om300719t","","","0.71075","MoKα","","","0.1234","","","","0.3644","","","","","","1.229","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079942","36.7884","0.0012","36.7884","0.0012","13.101","0.0004","90","","90","","120","","15355.2","0.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H28 N4 O4 Pd2 -","- C38 H28 N4 O4 Pd2 -","- C684 H504 N72 O72 Pd36 -","18","1","","Chu, Jean-Ho; Wu, Chung-Chiu; Chang, Deng-Hsiang; Lee, Ya-Ming; Wu, Ming-Jung","Direct Ortho Arylation of 9-(Pyridin-2-yl)-9H-carbazoles Bearing a Removable Directing Group via Palladium(II)-Catalyzed C‒H Bond Activation","Organometallics","2013","32","1","272","","10.1021/om301071m","","","0.71073","MoKα","","0.04","0.0291","","","0.0757","0.0793","","","","","","1.071","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079993","36.693","0.003","36.693","0.003","11.829","0.0005","90","","90","","120","","13792.6","1.7","173","1","173","1","","","","","","","","5","R -3 :H","-R 3","148","jfc162","","","- C59.33 H90.67 N4 O Pt -","- C58 H86 N4 Pt -","- C522 H774 N36 Pt9 -","9","0.5","","Berenguer, Jesús R.; Fernández, Julio; Lalinde, Elena; Sánchez, Sergio","New Trans-Configured Acetylide‒Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies","Organometallics","2013","32","3","835","","10.1021/om301134k","","","0.71073","MoKα","","0.1072","0.073","","","0.1581","0.1714","","","","","","1.053","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4080323","41.4321","0.0013","41.4321","0.0013","19.3575","0.0007","90","","90","","120","","28777.5","1.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C109 H148 Cl4 N8 O4 Th2 -","- C109 H148 Cl4 N8 O4 Th2 -","- C981 H1332 Cl36 N72 O36 Th18 -","9","0.5","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0485","0.0364","","","0.0767","0.0792","","","","","","1.214","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080840","18.4965","0.0004","18.4965","0.0004","38.7777","0.0007","90","","90","","120","","11489.3","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Complex_20","","","- C28 H24 B Ir N4 O -","- C28 H24 B Ir N4 O -","- C504 H432 B18 Ir18 N72 O18 -","18","1","","Tsoureas, Nikolaos; Hamilton, Alex; Haddow, Mairi F.; Harvey, Jeremy N.; Orpen, A. Guy; Owen, Gareth R.","Insight into the Hydrogen Migration Processes Involved in the Formation of Metal‒Borane Complexes: Importance of the Third Arm of the Scorpionate Ligand","Organometallics","2013","32","9","2840","","10.1021/om4002389","","","0.71073","MoKα","","0.0291","0.0213","","","0.0425","0.0436","","","","","","0.927","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080857","11.2415","0.0003","11.2415","0.0003","59.3261","0.0018","90","","90","","120","","6492.7","0.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C43 H69 B Fe N P3 Si0.5 -","- C42.99 H69.03 B Fe N0.99 P3 Si0.5 -","- C257.94 H414.18 B6 Fe6 N5.94 P18 Si3 -","6","0.333333","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.0771","0.0611","","","0.1562","0.1683","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081304","31.339","0.002","31.339","0.002","10.992","0.0008","90","","90","","120","","9349.3","1.1","143","2","143","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C132 H186 O18 U6 -","- C132 H186 O18 U6 -","- C396 H558 O54 U18 -","3","0.166667","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Reactivity of U3+Metallocene Allyl Complexes Leads to a Nanometer-Sized Uranium Carbonate, [(C5Me5)2U]6(μ-κ1:κ2-CO3)6","Organometallics","2013","32","17","4820","","10.1021/om400526h","","","0.71073","MoKα","","0.0346","0.0292","","","0.0765","0.0818","","","","","","1.096","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081566","26.3433","0.0006","26.3433","0.0006","35.7749","0.0008","90","","90","","120","","21500.5","0.8","110","","110","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C70 H117 Cu6 Fe2 N23 O24 -","- C70 H117 Cu6 Fe2 N23 O24 -","- C630 H1053 Cu54 Fe18 N207 O216 -","9","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","0.71073","MoKα","","0.0874","0.0701","","","0.2081","0.2172","","","","","","1.002","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081567","27.2381","0.001","27.2381","0.001","34.7756","0.0013","90","","90","","120","","22343.9","1.4","115","","115","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32.25 H55 Cu3 Fe N11 O15.23 -","- C32.25 H55 Cu3 Fe N10.9933 O15.23 -","- C580.5 H990 Cu54 Fe18 N197.88 O274.14 -","18","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","1.54184","CuKα","","0.1236","0.0971","","","0.2641","0.2826","","","","","","1.037","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081717","33.107","0.005","33.107","0.005","17.609","0.004","90","","90","","120","","16715","5","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38 H34 B Cl P2 Sn -","- C38 H34 B Cl P2 Sn -","- C684 H612 B18 Cl18 P36 Sn18 -","18","1","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.0915","0.0496","","","0.1249","0.1432","","","","","","1.005","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081941","11.2711","0.001","11.2711","0.001","25.93","0.005","90","","90","","120","","2852.8","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris(pentafluorophenyl)germanium chloride","","- C18 Cl F15 Ge -","- C18 Cl F15 Ge -","- C108 Cl6 F90 Ge6 -","6","0.333333","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0293","0.0251","","","0.068","0.069","","","","","","1.077","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081944","39.581","0.002","39.581","0.002","5.9385","0.0006","90","","90","","120","","8057.1","1","180","2","180","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H F15 Ge -","- C18 H F15 Ge -","- C324 H18 F270 Ge18 -","18","1","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0647","0.0382","","","0.0854","0.0934","","","","","","1","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082150","28.202","0.004","28.202","0.004","16.579","0.001","90","","90","","120","","11420","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26 H29 Cl N2 O3 Ru -","- C26 H27 Cl N2 O3 Ru -","- C468 H486 Cl18 N36 O54 Ru18 -","18","1","","Belsa, Lluís; López, Concepción; González, Asensio; Font-Bard\?ía, Mercè; Calvet, Teresa; Calvis, Carmen; Messeguer, Ramon","Neutral and Ionic Cycloruthenated 2-Phenylindoles as Cytotoxic Agents","Organometallics","2013","32","24","7264","","10.1021/om400941b","","","0.71073","MoKα","","0.0693","0.0626","","","0.1743","0.1791","","","","","","1.165","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082515","28.7783","0.0006","28.7783","0.0006","17.5019","0.0004","90","","90","","120","","12553","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H33 Cl N2 Pd -","- C33 H33 Cl N2 Pd -","- C594 H594 Cl18 N36 Pd18 -","18","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0254","0.0219","","","0.0536","0.055","","","","","","1.068","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082761","24.9722","0.0006","24.9722","0.0006","14.2207","0.0006","90","","90","","120","","7680.1","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C126.22 H102.18 O13 Zn4 -","- C126.36 H102.306 O13 Zn4 -","- C379.08 H306.918 O39 Zn12 -","3","0.166667","","Minier, Mikael A.; Lippard, Stephen J.","Conversion Between Doubly and Triply Carboxylate-Bridged Di(ethylzinc) Complexes and Formation of the (μ-Oxo)tetrazinc Carboxylate [Zn4O(Ar(Tol)CO2)6].","Organometallics","2014","33","6","1462","1466","10.1021/om5000503","","","0.71073","MoKα","","0.0904","0.0811","","","0.1866","0.1906","","","","","","1.258","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082986","36.5062","0.0009","36.5062","0.0009","10.6415","0.0003","90","","90","","120","","12281.9","0.6","99.9","0.3","99.9","0.3","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H23 Br2 Cu N5 O -","- C22 H23 Br2 Cu N5 O -","- C396 H414 Br36 Cu18 N90 O18 -","18","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","1.54184","CuKα","","0.0624","0.0488","","","0.1264","0.1344","","","","","","1.007","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083094","26.9047","0.0002","26.9047","0.0002","23.4468","0.0008","90","","90","","120","","14698.4","0.5","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C31 H28 Cl2 N O2 P2 Re -","- C31 H28 Cl2 N O2 P2 Re -","- C558 H504 Cl36 N18 O36 P36 Re18 -","18","1","","Korstanje, Ties J.; Lutz, Martin; Jastrzebski, Johann T. B. H.; Klein Gebbink, Robertus J. M.","Synthesis and Characterization of Rhenium(V) Oxo Complexes Bearing PNP-Pincer Ligands","Organometallics","2014","33","9","2201","","10.1021/om401228u","","","0.71073","MoKα","","0.0225","0.0185","","","0.0437","0.0447","","","","","","1.088","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083274","23.8882","0.0003","23.8882","0.0003","14.1077","0.0003","90","","90","","120","","6971.94","0.19","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H23 B K P -","- C13 H23 B K P -","- C234 H414 B18 K18 P18 -","18","1","","Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges","Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals","Organometallics","2012","31","17","6428","","10.1021/om300668u","","","1.54178","CuKα","","0.0451","0.0442","","","0.1081","0.1088","","","","","","1.038","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083723","26.3237","0.0008","26.3237","","26.9985","0.0009","90","","90","","120","","16201.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C132 H129 Fe3 P7 Se -","- C132 H129 Fe3 P7 Se -","- C792 H774 Fe18 P42 Se6 -","6","0.333333","","Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric","Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents","Organometallics","2014","","","140623083706006","","10.1021/om500211e","","x-ray","0.71073","MoKα","","0.1033","0.059","","","0.1523","0.1797","","","","","","1.024","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083862","37.6828","0.0018","37.6828","0.0018","22.16","0.002","90","","90","","120","","27251","3","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C63.33 H75.33 Fe3 N O3.33 P3 S2 -","- C62 H72 Fe3 N O3 P3 S2 -","- C1116 H1296 Fe54 N18 O54 P54 S36 -","18","1","","Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.","Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.","Organometallics","2014","33","20","5897","5906","10.1021/om5004013","","","0.71073","MoKα","","0.0837","0.0478","","","0.1168","0.1286","","","","","","1.08","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4084482","38.9446","0.0013","38.9446","0.0013","9.6467","0.0007","90","","90","","120","","12670.8","1.1","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25 H42 Cl Co N3 P2 -","- C25 H42 Cl Co N3 P2 -","- C450 H756 Cl18 Co18 N54 P36 -","18","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71069","MoKα","","0.0334","0.027","","","0.0428","0.0452","","","","1.67","1.67","1.64","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084899","34.235","0.002","34.235","0.002","11.1251","0.0009","90","","90","","120","","11292.1","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C29 H33 B2 N2 -","- C29 H33 B2 N2 -","- C522 H594 B36 N36 -","18","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.094","0.0615","","","0.1446","0.1602","","","","","","0.963","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4085205","21.7945","0.0018","21.7945","0.0018","41.104","0.004","90","","90","","120","","16909","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H61 N4 Ni O -","- C44 H46 N4 Ni -","- C792 H828 N72 Ni18 -","18","1","","Matson, Ellen M.; Espinosa Martinez, Gabriel; Ibrahim, Abdulrahman D.; Jackson, Bailey J.; Bertke, Jeffrey A.; Fout, Alison R.","Nickel(II) Pincer Carbene Complexes: Oxidative Addition of an Aryl C‒H Bond to Form a Ni(II) Hydride","Organometallics","2015","34","2","399","","10.1021/om5007177","","","0.71073","MoKα","","0.117","0.0643","","","0.1231","0.1398","","","","","","1.07","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085677","11.8818","0.0004","11.8818","0.0004","49.134","0.003","90","","90","","120","","6007.3","0.5","193","","193","","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","","","- C36 H54 Au Cl F P3 Si -","- C36 H54 Au Cl F P3 Si -","- C216 H324 Au6 Cl6 F6 P18 Si6 -","6","0.333333","","Gualco, Pauline; Mallet-Ladeira, Sonia; Kameo, Hajime; Nakazawa, Hiroshi; Mercy, Maxime; Maron, Laurent; Amgoune, Abderrahmane; Bourissou, Didier","Coordination of a Triphosphine‒Silane to Gold: Formation of a Trigonal Pyramidal Complex Featuring Au+→Si Interaction","Organometallics","2015","34","8","1449","","10.1021/om501154d","","x-ray","0.71073","MoKα","","0.04","0.0371","","","0.081","0.0823","","","","","","1.077","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085964","19.2253","0.0007","19.2253","0.0007","31.9514","0.0011","90","","90","","120","","10227.4","0.6","120","","120","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C63 H90 Co N5 O P3 Si Zr -","- C63 H90 Co N5 O P3 Si Zr -","- C378 H540 Co6 N30 O6 P18 Si6 Zr6 -","6","0.333333","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0361","0.0317","","0.0896","0.0849","0.0896","","","","","","1.0248","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085965","19.1775","0.0012","19.1775","0.0012","32.006","0.002","90","","90","","120","","10194","1.1","120","","120","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C64 H90 Co N3 O2 P3 Si Zr -","- C63.9999 H90 Co N3 O1.9999 P3 Si Zr -","- C383.999 H540 Co6 N18 O11.9994 P18 Si6 Zr6 -","6","0.333333","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0284","0.0263","","0.0741","0.0701","0.0741","","","","","","1.0318","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086116","35.146","0.006","35.146","0.006","11.619","0.002","90","","90","","120","","12429","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H45 N O3 Si5 -","- C18 H45 N O3 Si5 -","- C324 H810 N18 O54 Si90 -","18","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0726","0.0678","","","0.1673","0.1712","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086528","40.4356","0.0018","40.4356","0.0018","10.8664","0.0005","90","","90","","120","","15386.7","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H51.33 F2 Ir P2 -","- C36.9933 H51.31 F2 Ir P2 -","- C665.88 H923.58 F36 Ir18 P36 -","18","1","","Laviska, David A.; Zhou, Tian; Kumar, Akshai; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Single and Double C‒H Activation of Biphenyl or Phenanthrene. An Example of C‒H Addition to Ir(III) More Facile than Addition to Ir(I)","Organometallics","2016","35","11","1613","","10.1021/acs.organomet.6b00055","","","0.71073","MoKα","","0.0459","0.0344","","","0.0779","0.0823","","","","","","1.006","","","","has coordinates","183471","2020-10-21","18:00:00",""
"4086530","29.1454","0.0012","29.1454","0.0012","42.57","0.003","90","","90","","120","","31317","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","tribromononacarbonyl{(tris(4-[4?-methyl-2,2?-bipyridyl]methyl) cyclotriguaiacylene}trirhenium(I)nitromethane clathrate","","- C70.5 H58.5 Br3 N7.5 O18 Re3 -","- C70.5 H58.5 Br3 N7.5 O18 Re3 -","- C846 H702 Br36 N90 O216 Re36 -","12","0.666667","","Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J.","Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission","Organometallics","2016","35","11","1632","","10.1021/acs.organomet.6b00099","","","1.54184","CuKα","","0.1195","0.095","","","0.244","0.2583","","","","","","1.458","","","","has coordinates","264242","2021-04-16","08:51:25",""
"4086658","24.4126","0.0017","24.4126","0.0017","54.953","0.004","90","","90","","120","","28363","3","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C54 H38 Cl2 F6 Fe N2 O8 P2 S2 -","- C53.9997 H38 Cl2 F5.999 Fe N2 O7.999 P2 S1.99967 -","- C971.994 H684 Cl36 F107.982 Fe18 N36 O143.982 P36 S35.994 -","18","1","","Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls","Organometallics","2016","35","17","2782","","10.1021/acs.organomet.6b00318","","","0.71073","MoKα","","0.081","0.07","","","0.1802","0.1898","","","","","","1.074","","","","has coordinates,has disorder","186960","2020-10-21","18:00:00",""
"4086757","30.55","0.0014","30.55","0.0014","8.2057","0.0004","90","","90","","120","","6632.4","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H36 B2 Co O12 -","- C20 H36 B2 Co O12 -","- C180 H324 B18 Co9 O108 -","9","0.5","","Léonard, Nadia G.; Bezdek, Máté J.; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)‒H Borylation with an Air-Stable, Readily Prepared Terpyridine Cobalt(II) Bis(acetate) Precatalyst","Organometallics","2017","36","1","142","","10.1021/acs.organomet.6b00630","","","0.71073","MoKα","","0.0386","0.0369","","","0.1165","0.1178","","","","","","1.112","","","","has coordinates","191373","2020-10-21","18:00:00",""
"4087737","15.7478","0.0012","15.7478","0.0012","51.824","0.005","90","","90","","120","","11130.2","1.6","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C67 H60 Al F36 O5 P Si -","- C66.9952 H60 Al F35.9856 O4.9999 P Si -","- C401.971 H360 Al6 F215.914 O29.9994 P6 Si6 -","6","0.333333","","Großekappenberg, Henning; Reißmann, Matti; Schmidtmann, Marc; Müller, Thomas","Quantitative Assessment of the Lewis Acidity of Silylium Ions","Organometallics","2015","34","20","4952","","10.1021/acs.organomet.5b00556","","","0.71073","MoKα","","0.1255","0.1013","","","0.2573","0.2797","","","","","","1.228","","","","has coordinates,has disorder","236963","2020-10-21","18:00:00",""
"4087768","22.2283","0.0008","22.2283","0.0008","20.4987","0.0008","90","","90","","120","","8771.4","0.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H17 Cl N4 O Pd -","- C18 H17 Cl N4 O Pd -","- C324 H306 Cl18 N72 O18 Pd18 -","18","1","","Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man","Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities","Organometallics","2015","34","17","4359","","10.1021/acs.organomet.5b00586","","x-ray","0.71073","MoKα","","0.033","0.03","","","0.0747","0.0764","","","","","","0.988","","","","has coordinates","236996","2020-10-21","18:00:00",""
"4087951","37.239","0.003","37.239","0.003","8.0789","0.0007","90","","90","","120","","9702.4","1.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H29 Fe N3 -","- C23 H29 Fe N3 -","- C414 H522 Fe18 N54 -","18","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","MoKα","","0.1054","0.0734","","","0.2066","0.2317","","","","","","1.036","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4088075","17.6494","0.0007","17.6494","0.0007","47.2477","0.0018","90","","90","","120","","12745.9","0.9","122","2","122","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H48 Eu N Si2 -","- C26 H48 Eu N Si2 -","- C468 H864 Eu18 N18 Si36 -","18","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0381","0.0326","","","0.0813","0.084","","","","","","1.174","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088131","19.236","0.004","19.236","0.004","33.377","0.007","90","","90","","120","","10696","4","273","2","273","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C108 H96 B6 F24 N30 O12 Ru6 -","- C108 H96 B6 F24 N30 O12 Ru6 -","- C324 H288 B18 F72 N90 O36 Ru18 -","3","0.166667","","Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K.","Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors","Organometallics","2015","34","23","5509","","10.1021/acs.organomet.5b00872","","","0.71073","MoKα","","0.1162","0.0854","","","0.2288","0.2517","","","","","","1.067","","","","has coordinates","237303","2020-10-21","18:00:00",""
"4088602","26.9505","0.0008","26.9505","0.0008","40.167","0.002","90","","90","","120","","25265.8","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H330 Er6 N24 Si24 -","- C186 H330 Er6 N24 Si24 -","- C558 H990 Er18 N72 Si72 -","3","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.106","0.0513","","","0.1248","0.1393","","","","","","0.863","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088603","26.979","0.0007","26.979","0.0007","40.165","0.002","90","","90","","120","","25318","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H330 Ho6 N24 Si24 -","- C186 H330 Ho6 N24 Si24 -","- C558 H990 Ho18 N72 Si72 -","3","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.0835","0.0429","","","0.1","0.1102","","","","","","0.851","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4088604","26.9796","0.0009","26.9796","0.0009","40.18","0.003","90","","90","","120","","25329","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C210 H372 Li6 N24 O6 Si24 Y6 -","- C210 H372 Li6 N24 O6 Si24 Y6 -","- C630 H1116 Li18 N72 O18 Si72 Y18 -","3","0.166667","","Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun","Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes","Organometallics","2016","35","11","1838","","10.1021/acs.organomet.6b00221","","","0.71073","MoKα","","0.1192","0.0539","","","0.1318","0.1594","","","","","","0.801","","","","has coordinates,has disorder","237694","2020-10-21","18:00:00",""
"4089069","16.927","0.0004","16.927","0.0004","39.8167","0.0012","90","","90","","120","","9880","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72.5 H89 B F15 N3 Ti -","- C72.4994 H88.9992 B F15 N3 Ti -","- C434.996 H533.995 B6 F90 N18 Ti6 -","6","0.333333","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0722","0.0482","","","0.1118","0.1272","","","","","","1.002","","","","has coordinates,has disorder","237962","2020-10-21","18:00:00",""
"4089071","19.1878","0.0006","19.1878","0.0006","29.155","0.0012","90","","90","","120","","9296","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H90 B F15 Hf N3 -","- C64 H90 B F15 Hf N3 -","- C384 H540 B6 F90 Hf6 N18 -","6","0.333333","","Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger","Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors","Organometallics","2016","35","21","3728","","10.1021/acs.organomet.6b00688","","","0.71073","MoKα","","0.0514","0.0356","","","0.0768","0.0825","","","","","","1.151","","","","has coordinates,has disorder","237962","2020-10-21","18:00:00",""
"4089080","42.013","0.003","42.013","0.003","8.965","0.0007","90","","90","","120","","13704","1.7","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H39 I2 O3 Sm -","- C22 H39 I2 O3 Sm -","- C396 H702 I36 O54 Sm18 -","18","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Donor-Solvent-Dependent Cluster Formation of (C5Me5)SmI2(THF)x-Type Half-Sandwich Complexes","Organometallics","2016","35","21","3743","","10.1021/acs.organomet.6b00695","","","0.71073","MoKα","","0.0597","0.0416","","","0.1187","0.1264","","","","","","1.08","","","","has coordinates,has disorder","237973","2020-10-21","18:00:00",""
"4089352","32.194","0.002","32.194","0.002","8.6456","0.0012","90","","90","","120","","7760.2","1.3","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","holjv68","","","- C30 H42 Al2 N4 -","- C30 H42 Al2 N4 -","- C270 H378 Al18 N36 -","9","0.5","","Vela, Javier; Zhu, Liwei; Flaschenriem, Christine J.; Brennessel, William W.; Lachicotte, Rene J.; Holland, Patrick L.","Macrocyclic Binucleating β-Diketiminate Ligands and their Lithium, Aluminum, and Zinc Complexes.","Organometallics","2007","26","14","3416","3423","10.1021/om0700258","","","0.71073","MoKα","","0.0622","0.0487","","","0.1503","0.1543","","","","","","1.091","","","","has coordinates","243616","2020-10-21","18:00:00",""
"4100209","13.7443","0.0002","13.7443","0.0002","60.7777","0.0002","90","","90","","120","","9943.1","0.2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H43 O8.5 S3 -","- C33 H28 O6 S3 -","- C396 H336 O72 S36 -","12","0.666667","","Song, Qiuling; Ho, Douglas M.; Pascal Jr.; Robert A.","A Sterically Congested in-Methylcyclophane","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100257","19.4501","0.001","19.4501","0.001","28.922","0.003","90","","90","","120","","9475.6","1.2","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","05090","","","- C24.5 H61 Cl13 Cu3 F18 N6 S2 Sb3 -","- C24.51 H61.02 Cl13.02 Cu3 F18 N6 S2 Sb3 -","- C147.06 H366.12 Cl78.12 Cu18 F108 N36 S12 Sb18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100292","13.943","0.004","13.943","0.004","16.773","0.006","90","","90","","120","","2823.8","1.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl6 O19 Sb V6 -","- C4 H12 Cl2 O6.33333 Sb0.333333 V2 -","- C36 H108 Cl18 O57 Sb3 V18 -","9","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100380","20.4905","0.001","20.4905","0.001","25.5846","0.0017","90","","90","","120","","9302.8","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","trianthryltriphenylborazine-CF3","","","- C76.5 H51 B3 F9 N3 -","- C76.49 H51 B3 F9 N3 -","- C458.94 H306 B18 F54 N18 -","6","0.333333","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100753","40.652","0.008","40.652","0.008","14.256","0.004","90","","90","","120","","20403","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H61 N4 O3 Si4 U -","- C32.5 H54 N4 O3 Si4 U -","- C585 H972 N72 O54 Si72 U18 -","18","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100886","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C118.02 H144 F29.06 N12 O18.12 Ru6 Sb5 -","- C354.06 H432 F87.18 N36 O54.36 Ru18 Sb15 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1187","0.0834","","","0.2623","0.2869","","","","","","1.16","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100887","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C117 H144 F5.96 O12 Ru6 Sb -","- C351 H432 F17.88 O36 Ru18 Sb3 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0665","0.0533","","","0.1481","0.1542","","","","","","0.951","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100894","27.473","0.003","27.473","0.003","9.143","0.002","90","","90","","120","","5976.2","1.8","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H72 B12 F12 O12 -","- C84 H72 B12 F12 O12 -","- C252 H216 B36 F36 O36 -","3","0.166667","","Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100944","32.2","0.005","32.2","0.005","32.581","0.007","90","","90","","120","","29255","8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","inverted cucurbit[7]uril tetrahydrofuran-clathrate tetradecahydrate","","","- C46 H78 N28 O29 -","- C46 H42 N28 O29.003 -","- C828 H756 N504 O522.054 -","18","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4101293","38.779","0.002","38.779","0.002","12.1544","0.0013","90","","90","","120","","15829","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H30 B10 -","- C30 H30 B10 -","- C540 H540 B180 -","18","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes.","Journal of the American Chemical Society","2006","128","24","7728","7729","10.1021/ja061605j","","","0.71073","MoKα","","0.1837","0.0998","","","0.2629","0.3648","","","","","","1.051","","","","has coordinates","178758","2020-10-21","18:00:00",""
"4101354","19.775","0.004","19.775","0.004","29.273","0.007","90","","90","","120","","9914","4","128","2","128","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C69.5 H85.1 Cl1.5 N3 O9 -","- C69.398 H63.5 Cl1.5 N3 O9 -","- C416.388 H381 Cl9 N18 O54 -","6","0.333333","","Jiang, Xuan; Bollinger, John C; Lee, Dongwhan","Two-dimensional electronic conjugation: cooperative folding and fluorescence switching.","Journal of the American Chemical Society","2006","128","36","11732","11733","10.1021/ja063413u","","","0.71073","MoKα","","0.114","0.0671","","","0.1385","0.1652","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101501","22.8553","0.0007","22.8553","0.0007","60.016","0.004","90","","90","","120","","27150","2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C376 H324 N47 O16 Zn6 -","- C376 H324 N47 O16 Zn6 -","- C1128 H972 N141 O48 Zn18 -","3","0.166667","","Kamada, Taisuke; Aratani, Naoki; Ikeda, Toshiaki; Shibata, Naoki; Higuchi, Yoshiki; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Kim, Kil Suk; Yoon, Zin Seok; Kim, Dongho; Osuka, Atsuhiro","High fidelity self-sorting assembling of meso-cinchomeronimide appended meso-meso linked Zn(II) diporphyrins.","Journal of the American Chemical Society","2006","128","23","7670","7678","10.1021/ja0611137","","","0.71073","MoKα","","0.2003","0.0992","","","0.2875","0.33","","","","","","0.969","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101541","33.018","0.007","33.018","0.007","8.603","0.001","90","","90","","120","","8123","3","176","2","176","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20.4 H6 Cl3 Mn3 N14.4 O13.32 -","- C20.4 H6 Cl3 Mn3 N14.4 O13.3 -","- C122.4 H36 Cl18 Mn18 N86.4 O79.8 -","6","0.333333","","Dinca, Mircea; Yu, Anta F; Long, Jeffrey R","Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.","Journal of the American Chemical Society","2006","128","27","8904","8913","10.1021/ja061716i","","","0.71073","MoKα","","0.1107","0.0582","","","0.1467","0.154","","","","","","0.745","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101546","15.412","0.002","15.412","0.002","10.678","0.002","90","","90","","120","","2196.5","0.6","110","2","110","2","","","","","","","","3","R -3 :H","-R 3","148","Compound1","","","- Co Gd7 I12 -","- Co Gd7 I12 -","- Co3 Gd21 I36 -","3","0.166667","","Sweet, Lucas E; Roy, Lindsay E; Meng, Fanqin; Hughbanks, Timothy","Ferromagnetic coupling in hexanuclear gadolinium clusters.","Journal of the American Chemical Society","2006","128","31","10193","10201","10.1021/ja0617690","","","0.71073","MoKα","","0.0282","0.0247","","","0.0492","0.0503","","","","","","1.191","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101554","35.642","0.005","35.642","0.005","6.665","0.0005","90","","90","","120","","7332.5","1.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.754 -","- C270 H432 O103.572 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1314","0.1113","","","0.3158","0.3377","","","","","","1.041","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101555","35.405","0.005","35.405","0.005","6.626","0.0005","90","","90","","120","","7193","1.4","170","2","170","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.802 -","- C270 H432 O104.436 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1128","0.0909","","","0.2387","0.2544","","","","","","1.081","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101556","35.348","0.005","35.348","0.005","6.6096","0.0006","90","","90","","120","","7152","1.7","115","2","115","2","","","","","","","","3","R -3 :H","-R 3","148","","7,7-Diallyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid","","- C15 H26 O6 -","- C15 H24 O5.82317 -","- C270 H432 O104.817 -","18","1","","Febles, Martín; Pérez-Hernandez, Natalia; Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Roux, María Victoria; Morales, Ezequiel Q; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Martín, Julio D","Distinct dynamic behaviors of water molecules in hydrated pores.","Journal of the American Chemical Society","2006","128","31","10008","10009","10.1021/ja063223j","","","0.71073","MoKα","","0.1","0.0846","","","0.1819","0.1916","","","","","","1.089","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101830","14.199","","14.199","","39.0767","0.0005","90","","90","","120","","6822.82","0.09","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H42 Ir2 N12 O20 Zn4 -","- C90 H42 Ir2 N12 O20 Zn4 -","- C270 H126 Ir6 N36 O60 Zn12 -","3","0.166667","","Zhigang Xie; Liqing Ma; Kathryn E. deKrafft; Athena Jin; Wenbin Lin","Porous Phosphorescent Coordination Polymers for Oxygen Sensing","Journal of the American Chemical Society","2010","132","","922","923","10.1021/ja909629f","","","1.54178","CuKα","","0.0419","0.0414","","","0.1254","0.1259","","","","","","1.001","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101953","21.9236","","21.9236","","10.0361","","90","","90","","120","","4177.53","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101954","20.0129","","20.0129","","11.9485","","90","","90","","120","","4144.42","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101955","14.6614","","14.6614","","22.7128","","90","","90","","120","","4228.17","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101956","21.1499","","21.1499","","10.9707","","90","","90","","120","","4249.93","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101958","23.4015","","23.4015","","9.2166","","90","","90","","120","","4371.08","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101961","22.7159","","22.7159","","9.2069","","90","","90","","120","","4114.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C10 H14 O -","- C10 H14 O -","- C180 H252 O18 -","18","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101994","23.498","0.008","23.498","0.008","17.407","0.004","90","","90","","120","","8324","4","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H32 O12 Ti2 -","- C40 H32 O12 Ti2 -","- C360 H288 O108 Ti18 -","9","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0828","0.0448","","","0.1158","0.1313","","","","","","1.349","","","","has coordinates","270822","2021-11-23","08:35:17",""
"4101997","29.6492","0.0016","29.6492","0.0016","26.4727","0.0015","90","","90","","120","","20153.7","1.9","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C68 H82 N6 O24 Ti6 -","- C68 H82 N6 O24 Ti6 -","- C612 H738 N54 O216 Ti54 -","9","0.5","","Jason B. Benedict; Philip Coppens","The Crystalline Nanocluster Phase as a Medium for Structural and Spectroscopic Studies of Light Absorption of Photosensitizer Dyes on Semiconductor Surfaces","Journal of the American Chemical Society","2010","132","","2938","2944","10.1021/ja909600w","","","0.71073","MoKα","","0.0808","0.0511","","","0.1491","0.1794","","","","","","1.126","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4102330","27.911","0.007","27.911","0.007","8.407","0.002","90","","90","","120","","5672","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","(Z)-4-(2,5-diemethylbenzylidene)-1,2-dimethyl- 1H-imidazol-5(4H)-one","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C252 H288 N36 O18 -","18","1","","Panče Naumov; Janusz Kowalik; Kyril M. Solntsev; Anthony Baldridge; Jong-Seok Moon; Christine Kranz; Laren M. Tolbert","Topochemistry and Photomechanical Effects in Crystals of Green Fluorescent Protein-like Chromophores: Effects of Hydrogen Bonding and Crystal Packing","Journal of the American Chemical Society","2010","132","","5845","5857","10.1021/ja100844m","","","0.71073","MoKα","","0.0584","0.0425","","","0.1363","0.1547","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102400","28.222","0.005","28.222","0.005","9.413","0.003","90","","90","","120","","6493","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H16 Co N10 -","- C24 H16 Co N10 -","- C216 H144 Co9 N90 -","9","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer","Journal of the American Chemical Society","2010","132","","6654","6656","10.1021/ja1009635","","","0.71073","MoKα","","0.0637","0.0416","","","0.102","0.1082","","","","","","1","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102401","27.07","0.009","27.07","0.009","10.126","0.007","90","","90","","120","","6426","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H20 Co N10 -","- C26 H20 Co N10 -","- C234 H180 Co9 N90 -","9","0.5","","Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Nonclassical Active Site for Enhanced Gas Sorption in Porous Coordination Polymer","Journal of the American Chemical Society","2010","132","","6654","6656","10.1021/ja1009635","","","0.71073","MoKα","","0.1251","0.0856","","","0.2247","0.2473","","","","","","1.006","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102806","50.7473","0.0015","50.7473","","21.4124","0.0007","90","","90","","120","","47755","2","120","2","120","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C85 H58 Fe N10 O8 -","- C85 H58 Fe N10 O8 -","- C1530 H1044 Fe18 N180 O144 -","18","1","","Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel","Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine","Journal of the American Chemical Society","2010","132","","10652","10653","10.1021/ja103825g","","x-ray","0.71073","MoKα","","0.1452","0.0588","","","0.1466","0.1668","","","","","","0.769","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4103013","31.782","0.005","31.782","0.005","12.388","0.003","90","","90","","120","","10837","4","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39.72 H36 N24 O19.44 -","- C39.72 H36 N24 O19.44 -","- C357.48 H324 N216 O174.96 -","9","0.5","","Hyunuk Kim; Yonghwi Kim; Minyoung Yoon; Soyoung Lim; Se Min Park; Gon Seo; Kimoon Kim","Highly Selective Carbon Dioxide Sorption in an Organic Molecular Porous Material","Journal of the American Chemical Society","2010","132","","12200","12202","10.1021/ja105211w","","","0.75","synchrotron","","0.0957","0.0821","","","0.2335","0.2466","","","","","","1.094","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103139","37.4619","0.0019","37.4619","0.0019","20.9301","0.0015","90","","90","","120","","25438","3","93.1","","93.1","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C390 H336 Br6 I12 N18 O6 -","- C390.36 H324.36 Br6.12 I12 N18 O6 -","- C1171.08 H973.08 Br18.36 I36 N54 O18 -","3","0.166667","","Shuichi Hiraoka; Takashi Nakamura; Motoo Shiro; Mitsuhiko Shionoya","In-Water Truly Monodisperse Aggregation of Gear-Shaped Amphiphiles Based on Hydrophobic Surface Engineering","Journal of the American Chemical Society","2010","132","","13223","13225","10.1021/ja1069135","","","1.54187","CuKα","","","0.1452","","","","0.4109","","","","","","1.421","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103385","33.915","0.005","33.915","0.005","59.795","0.008","90","","90","","120","","59563","15","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C236 H616 N104 Ni54 O434 P8 W72 -","- C236 H387.96 N104 Ni54 O434 P8 W72 -","- C708 H1163.88 N312 Ni162 O1302 P24 W216 -","3","0.166667","","Shou-Tian Zheng; Jie Zhang; Xin-Xiong Li; Wei-Hui Fang; Guo-Yu Yang","cubic Polyoxometalate-Organic Molecular Cage","Journal of the American Chemical Society","2010","132","","15102","15103","10.1021/ja105986b","","","0.71073","MoKα","","0.1175","0.0959","","","0.2131","0.2297","","","","","","1.072","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103498","38.9899","0.0014","38.9899","0.0014","12.1613","0.0004","90","","90","","120","","16010.9","1","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C31 H32 B10 -","- C31 H32 B10 -","- C558 H576 B180 -","18","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.1075","0.0687","","","0.2047","0.2274","","","","","","1.056","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103523","34.674","0.002","34.674","0.002","6.0958","0.0004","90","","90","","120","","6347","0.7","170","2","170","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C11 H21 N3 O3 -","- C11 H21 N3 O3 -","- C198 H378 N54 O54 -","18","1","","Shuichi Suzuki; Takanori Furui; Masato Kuratsu; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide","Journal of the American Chemical Society","2010","132","","15908","15910","10.1021/ja107769z","","","0.7107","MoKα","","0.0807","0.0756","","","0.184","0.1868","","","","","","1.172","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103668","34.997","0.003","34.997","0.003","39.893","0.007","90","","90","","120","","42314","9","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H156 Mo12 N24 O54 -","- C204 H156 Mo12 N24 O54 -","- C612 H468 Mo36 N72 O162 -","3","0.166667","","Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou","Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers","Journal of the American Chemical Society","2010","132","","17599","17610","10.1021/ja1080794","","","0.71073","MoKα","","0.1099","0.0618","","","0.1327","0.1402","","","","","","1.004","","","","has coordinates,has disorder","178782","2020-10-21","18:00:00",""
"4103674","15.91","0.001","15.91","0.001","18.953","0.003","90","","90","","120","","4154.8","0.8","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H36 N4 O6 -","- C27 H36 N4 O6 -","- C162 H216 N24 O36 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0745","0.0446","","","0.1029","0.1184","","","","","","1.02","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103678","15.2562","0.0006","15.2562","0.0006","40.444","0.003","90","","90","","120","","8152.2","0.8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C42 H66 Cl3 Cu3 F6 N10 O6 P2 -","- C42 H66 Cl3 Cu3 F6 N10 O6 P2 -","- C252 H396 Cl18 Cu18 F36 N60 O36 P12 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.0481","0.0406","","","0.108","0.1131","","","","","","1.079","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103679","15.256","0.003","15.256","0.003","40.393","0.016","90","","90","","120","","8142","4","100","2","100","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C42 H66 As Cl3 Cu3 F6 N10 O5.75 P -","- C42 H66 As Cl3 Cu3 F6 N10 O5.75 P -","- C252 H396 As6 Cl18 Cu18 F36 N60 O34.5 P6 -","6","0.333333","","Rui Cao; Peter Müller; Stephen J. Lippard","Tripodal Tris-tacn and Tris-dpa Platforms for Assembling Phosphate-Templated Trimetallic Centers","Journal of the American Chemical Society","2010","132","","17366","17369","10.1021/ja108212v","","","0.71073","MoKα","","0.1335","0.0855","","","0.2481","0.2851","","","","","","1.045","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103731","38.674","0.0009","38.674","0.0009","10.01","0.003","90","","90","","120","","12966","4","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","R -3 :H","-R 3","148","","","","- C156 H192 N30 O12 S12 -","- C108 H120 N30 O6 S6 -","- C324 H360 N90 O18 S18 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0631","0.0587","","","0.1369","0.1374","","","","","","1.028","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4103733","22.807","0.0009","22.807","0.0009","17.2915","0.0016","90","","90","","120","","7789.3","0.8","200","2","200","2","","","","","","","Synthesized by the authors. See text","3","R -3 :H","-R 3","148","","","","- C60 H48 N30 -","- C60 H48 N30 -","- C180 H144 N90 -","3","0.166667","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from Derivatives of Hexaphenylbenzene and Related Compounds","J. Am. Chem. Soc.","2007","129","","4306","4322","10.1021/ja067571x","","","1.54178","CuKα","","0.0645","0.0614","","","0.1513","0.152","","","","","","1.048","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4104188","19.6891","0.0008","19.6891","0.0008","14.1971","0.0007","90","","90","","120","","4766.3","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0482","0.0402","","","0.0732","0.077","","","","","","1.014","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104189","19.5289","0.0008","19.5289","0.0008","14.2935","0.0008","90","","90","","120","","4720.9","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H12 Cu N3 -","- C8 H12 Cu N3 -","- C144 H216 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0451","0.0393","","","0.0787","0.082","","","","","","1.028","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104190","19.6972","0.0009","19.6972","0.0009","14.2478","0.0008","90","","90","","120","","4787.3","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H12 Cu N3 -","- C8 H12 Cu N3 -","- C144 H216 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0617","0.051","","","0.1104","0.1182","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104191","19.6216","0.0012","19.6216","0.0012","14.2113","0.0009","90","","90","","120","","4738.4","0.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H10 Cu N3 O2 -","- C7 H10 Cu N3 O2 -","- C126 H180 Cu18 N54 O36 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0571","0.0458","","","0.0957","0.1004","","","","","","1.016","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104192","19.7501","0.0013","19.7501","0.0013","14.1928","0.001","90","","90","","120","","4794.4","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0442","0.0364","","","0.0863","0.0919","","","","","","1.014","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104193","19.6052","0.0005","19.6052","0.0005","14.242","0.0004","90","","90","","120","","4740.7","0.2","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N4 -","- C6 H10 Cu N4 -","- C108 H180 Cu18 N72 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0367","0.0327","","","0.0734","0.0761","","","","","","1.015","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104194","19.6808","0.0016","19.6808","0.0016","14.2153","0.0012","90","","90","","120","","4768.4","0.7","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.08 H10.08 Cu N3 -","- C6.082 H10.082 Cu N3 -","- C109.476 H181.476 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0538","0.0415","","","0.0935","0.0998","","","","","","1.033","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104195","19.6307","0.0014","19.6307","0.0014","14.2594","0.0011","90","","90","","120","","4758.9","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.21 H10.21 Cu N3 -","- C6.208 H10.208 Cu N3 -","- C111.744 H183.744 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0396","0.0329","","","0.0795","0.0845","","","","","","1.021","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104196","19.6035","0.0014","19.6035","0.0014","14.2793","0.0011","90","","90","","120","","4752.3","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.39 H10.39 Cu N3 -","- C6.394 H10.394 Cu N3 -","- C115.092 H187.092 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0379","0.0324","","","0.0833","0.0878","","","","","","1.032","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104197","19.5947","0.0014","19.5947","0.0014","14.2851","0.001","90","","90","","120","","4750","0.6","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6.84 H10.84 Cu N3 -","- C6.836 H10.836 Cu N3 -","- C123.048 H195.048 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0543","0.0407","","","0.092","0.0979","","","","","","1.043","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104198","19.7253","0.0014","19.7253","0.0014","14.1969","0.001","90","","90","","120","","4783.8","0.6","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.04 H10 Cu N3 O0.09 -","- C6.044 H10 Cu N3 O0.088 -","- C108.792 H180 Cu18 N54 O1.584 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0521","0.0388","","","0.0895","0.0986","","","","","","1.022","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104199","19.7013","0.0012","19.7013","0.0012","14.1981","0.0009","90","","90","","120","","4772.6","0.5","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.08 H10 Cu N3 O0.15 -","- C6.076 H10 Cu N3 O0.152 -","- C109.368 H180 Cu18 N54 O2.736 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0536","0.0386","","","0.0856","0.0936","","","","","","1.02","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104200","19.6828","0.0017","19.6828","0.0017","14.205","0.0012","90","","90","","120","","4765.9","0.7","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.25 H10 Cu N3 O0.5 -","- C6.247 H10 Cu N3 O0.494 -","- C112.446 H180 Cu18 N54 O8.892 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0461","0.0381","","","0.0926","0.0987","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104201","19.6798","0.0013","19.6798","0.0013","14.2054","0.001","90","","90","","120","","4764.6","0.6","195","2","195","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.42 H10 Cu N3 O0.84 -","- C6.42 H10 Cu N3 O0.84 -","- C115.56 H180 Cu18 N54 O15.12 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal","Journal of the American Chemical Society","2009","131","","5516","5521","10.1021/ja8089872","","","0.71073","MoKα","","0.0439","0.0369","","","0.0915","0.096","","","","","","1.026","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104355","24.56","0.003","24.56","0.003","59.19","0.009","90","","90","","120","","30920","7","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","none","","","- C198 H162 Cu12 N18 O60 -","- C198 H162 Cu12 N18 O60 -","- C594 H486 Cu36 N54 O180 -","3","0.166667","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.1457","0.0828","","","0.2459","0.2627","","","","","","1.11","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104356","25.293","0.008","25.293","0.008","54.096","0.017","90","","90","","120","","29971","16","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C198 H126 Cu12 N18 O54 -","- C198 H126 Cu12 N18 O54 -","- C594 H378 Cu36 N54 O162 -","3","0.166667","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.1416","0.0656","","","0.166","0.1874","","","","","","0.752","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104386","11.2703","0.0006","11.2703","0.0006","11.3514","0.0011","90","","90","","120","","1248.68","0.15","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 K2 O18 Ti -","- I6 K2 O18 Ti -","- I18 K6 O54 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0281","0.0223","","","0.0517","0.0529","","","","","","1.152","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104387","11.3757","0.0016","11.3757","0.0016","11.426","0.003","90","","90","","120","","1280.5","0.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Rb2 Ti -","- I6 O18 Rb2 Ti -","- I18 O54 Rb6 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0596","0.0456","","","0.1198","0.1259","","","","","","1.137","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104388","11.6726","0.0005","11.6726","0.0005","11.6399","0.001","90","","90","","120","","1373.46","0.14","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs2 I6 O18 Ti -","- Cs2 I6 O18 Ti -","- Cs6 I18 O54 Ti3 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0248","0.0164","","","0.0274","0.0286","","","","","","0.907","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104389","11.4167","0.0006","11.4167","0.0006","11.3953","0.0011","90","","90","","120","","1286.29","0.16","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Ti Tl2 -","- I6 O18 Ti Tl2 -","- I18 O54 Ti3 Tl6 -","3","0.166667","","Hong-Young Chang; Sang-Hwan Kim; Kang Min Ok; P. Shiv Halasyamani","Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl)","Journal of the American Chemical Society","2009","131","","6865","6873","10.1021/ja9015099","","","0.71073","MoKα","","0.0504","0.0421","","","0.1133","0.1157","","","","","","1.162","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104495","18.645","0.002","18.645","0.002","19.061","0.002","90","","90","","120","","5738.5","1.1","110","","110","","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C27 H52 N6 Ru Si6 -","- C27 H52 N6 Ru Si6 -","- C162 H312 N36 Ru6 Si36 -","6","0.333333","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","","0.71073","MoKα","","0.0731","0.0361","","","0.0566","0.0632","","","","","","0.894","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104496","18.588","0.0003","18.588","0.0003","18.8361","0.0003","90","","90","","120","","5636.21","0.16","20","2","20","2","","","","","","","","5","R -3 :H","-R 3","148","Ru(H)[(SiMe2)(N-[(C5H4N)(SiMe2H)]3(PCy3)2","","","- C27 H52 N6 Ru Si6 -","- C27 H52 N6 Ru Si6 -","- C162 H312 N36 Ru6 Si36 -","6","0.333333","","Mary Grellier; Tahra Ayed; Jean-Claude Barthelat; Alberto Albinati; Sax Mason; Laure Vendier; Yannick Coppel; Sylviane Sabo-Etienne","Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies","Journal of the American Chemical Society","2009","131","","7633","7640","10.1021/ja901140v","","neutron","1.16954","neutron","","0.108","0.0698","","","0.1306","0.1483","","","","","","1.119","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104571","17.78","0.003","17.78","0.003","33.531","0.007","90","","90","","120","","9180","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H90 N42 O12 Zn6 -","- C78 H90 N42 O12 Zn6 -","- C234 H270 N126 O36 Zn18 -","3","0.166667","","Jihyun An; Richard P. Fiorella; Steven J. Geib; Nathaniel L. Rosi","Synthesis, Structure, Assembly, and Modulation of the CO2 Adsorption Properties of a Zinc-Adeninate Macrocycle","Journal of the American Chemical Society","2009","131","","8401","8403","10.1021/ja901869m","","x-ray","0.71073","MoKα","","0.101","0.0716","","","0.2064","0.2233","","","","","","1.222","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104844","22.448","0.0003","22.448","0.0003","12.6834","0.0003","90","","90","","120","","5535.05","0.17","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H84 Cu8 O12 P6 S Se12 -","- C36 H84 Cu8 O12 P6 S Se12 -","- C108 H252 Cu24 O36 P18 S3 Se36 -","3","0.166667","","C. W. Liu; Bijay Sarkar; Yao-Jheng Huang; Ping-Kuei Liao; Ju-Chun Wang; Jean-Yves Saillard; Samia Kahlal","Octanuclear Copper(I) Clusters Inscribed in a Se12 Icosahedron: Anion-Induced Modulation of the Core Size and Symmetry","Journal of the American Chemical Society","2009","131","","11222","11233","10.1021/ja904089t","","","0.71073","MoKα","","0.0679","0.0368","","","0.0915","0.1053","","","","","","1.017","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104899","24.567","0.002","24.567","0.002","61.843","0.006","90","","90","","120","","32324","5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","[Co32(C40H44S4O4)6(u3-O)24(H2O)24](C7H8)16(H2O)73","","","- C352 H586 Co32 O145 S24 -","- C240 H264 Co32 O72 S24 -","- C720 H792 Co96 O216 S72 -","3","0.166667","","Yanfeng Bi; Xiu-Teng Wang; Wuping Liao; Xiaofei Wang; Xinwu Wang; Hongjie Zhang; Song Gao","A {Co32} Nanosphere Supported by p-tert-Butylthiacalix[4]arene","Journal of the American Chemical Society","2009","131","","11650","11651","10.1021/ja9034939","","","0.71073","MoKα","","0.21","0.0814","","","0.2128","0.2469","","","","","","0.887","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4105603","41.28697","0.00024","41.28697","","6.26296","0.00007","90","","90","","120","","9245.63","0.12","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Co N O7.73 P -","- C6 Co N O7.72952 P -","- C108 Co18 N18 O139.131 P18 -","18","1","","Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright","Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis","Journal of the American Chemical Society","2011","133","","1266","1269","10.1021/ja1097995","powder diffraction","x-ray","0.825028","synchrotron","","","","","","","","0.05318","","6.72","","","","","","","has coordinates,has Fobs","178802","2020-10-21","18:00:00",""
"4105644","19.425","0.004","19.425","0.004","33.628","0.004","90","","90","","120","","10989","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H90 N6 O12 S6 -","- C72 H90 N6 O12 S6 -","- C432 H540 N36 O72 S36 -","6","0.333333","","Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu","Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs","Journal of the American Chemical Society","2011","133","","1775","1777","10.1021/ja110864t","","","0.71069","MoKα","","0.1482","0.0547","","","0.106","0.1349","","","","","","0.935","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4106116","16.332","0.002","16.332","0.002","47.642","0.01","90","","90","","120","","11005","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H88.5 F0.5 N6 O7 Ru3 -","- C84 H88.5 F0.51 N6 O7 Ru3 -","- C504 H531 F3.06 N36 O42 Ru18 -","6","0.333333","","Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages","Journal of the American Chemical Society","2011","133","","7106","7115","10.1021/ja200580x","","","0.71073","MoKα","","0.0725","0.0467","","","0.1052","0.119","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106125","21.1577","0.0003","21.1577","0.0003","17.4764","0.0002","90","","90","","120","","6775.16","0.16","133","2","133","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H15 Rb -","- C18 H15 Rb -","- C324 H270 Rb18 -","18","1","","Sven Krieck; Robert Kretschmer; Helmar Görls; Matthias Westerhausen","Rubidium-Mediated Birch-Type Reduction of 1,2-Diphenylbenzene in Tetrahydrofuran","Journal of the American Chemical Society","2011","133","","6960","6963","10.1021/ja2018527","","","0.71073","MoKα","","0.0905","0.0595","","","0.152","0.1741","","","","","","1.113","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106138","36.914","0.003","36.914","0.003","7.7817","0.0006","90","","90","","120","","9183.1","1.3","223.1","","223","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H24.5 I Ir N2 O0.25 -","- C17 H22 I Ir N2 -","- C306 H396 I18 Ir18 N36 -","18","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.029","","","","0.0545","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106176","15.726","0.006","15.726","0.006","24.027","0.01","90","","90","","120","","5146","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","[HL]2Fe6, 6C6H6","","","- C82 H80 Fe6 N12 -","- C82 H79.98 Fe6 N12 -","- C246 H239.94 Fe18 N36 -","3","0.166667","","Qinliang Zhao; T. David Harris; Theodore A. Betley","[(HL)2Fe6(NCMe)m]n+ (m = 0, 2, 4, 6; n= -1, 0, 1, 2, 3, 4, 6): An Electron-Transfer Series Featuring Octahedral Fe6 Clusters Supported by a Hexaamide Ligand Platform","Journal of the American Chemical Society","2011","133","","8293","8306","10.1021/ja2015845","","","0.71073","MoKα","","0.103","0.0558","","","0.1171","0.1387","","","","","","1.02","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106349","37.841","0.005","37.841","0.005","15.799","0.003","90","","90","","120","","19592","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C160 H112 Cl24 N32 Zn12 -","- C160 H112 Cl24 N32 Zn12 -","- C480 H336 Cl72 N95.9999 Zn36 -","3","0.166667","","Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen","Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests","Journal of the American Chemical Society","2011","133","","10018","10021","10.1021/ja2030273","","","0.71073","MoKα","","0.2079","0.0811","","","0.2041","0.2312","","","","","","0.854","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106437","20.479","0.003","20.479","0.003","21.481","0.004","90","","90","","120","","7802","2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C121 H104 Cl2 N6 Ni6 O12 S6 -","- C121.02 H104.04 Cl2.04 N6 Ni6 O12 S6 -","- C363.06 H312.12 Cl6.12 N18 Ni18 O36 S18 -","3","0.166667","","Edwin C. Constable; Guoqi Zhang; Daniel Häussinger; Catherine E. Housecroft; Jennifer A. Zampese","Metallohosts with a Heart of Carbon","Journal of the American Chemical Society","2011","133","","10776","10779","10.1021/ja204888w","","","0.71073","MoKα","","0.0579","0.0492","","","0.109","0.1129","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106638","35.843","0.002","35.843","0.002","18.753","0.002","90","","90","","120","","20865","3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C246 H384 S18 Th6 -","- C246 H384 S18 Th6 -","- C738 H1152 S54 Th18 -","3","0.166667","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0872","0.0451","","","0.0859","0.0921","","","","","","0.765","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106776","25.5177","0.0009","25.5177","","6.9661","0.0004","90","","90","","120","","3928.3","0.3","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O6.96 -","- C4 H Fe O6.976 -","- C72 H18 Fe18 O125.568 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","0.98","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106777","26.0087","0.0013","26.0087","","6.8131","0.0007","90","","90","","120","","3991.3","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3.92 -","- C4 H Fe O3.92 -","- C72 H18 Fe18 O70.56 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.01","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106778","26.1627","0.0021","26.1627","","6.8422","0.0007","90","","90","","120","","4055.9","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long","Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites","Journal of the American Chemical Society","2011","133","","14814","14822","10.1021/ja205976v","powder diffraction","","","","","","","","","","","","","1.02","","","","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106983","20.0612","0.0003","20.0612","0.0003","81.585","0.006","90","","90","","120","","28435","2","85","2","85","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H288 Cl10 Fe18 N72 O94 -","- C270 H288 Cl10 Fe18 N72 O94.04 -","- C810 H864 Cl30 Fe54 N216 O282.12 -","3","0.166667","","Timothy C. Berto; Melissa B. Hoffman; Yuki Murata; Kira B. Landenberger; E. Ercan Alp; Jiyong Zhao; Nicolai Lehnert","Structural and Electronic Characterization of Non-Heme Fe(II)-Nitrosyls as Biomimetic Models of the FeB Center of Bacterial Nitric Oxide Reductase","Journal of the American Chemical Society","2011","133","","16714","16717","10.1021/ja111693f","","","1.54178","CuKα","","0.0885","0.073","","","0.2091","0.2205","","","","","","1.045","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4107039","19.132","0.004","19.132","0.004","37.505","0.015","90","","90","","120","","11889","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","0.71073","MoKα","","0.1061","0.0618","","","0.1299","0.1354","","","","","","1.01","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107040","18.456","0.016","18.456","0.016","34.59","0.03","90","","90","","120","","10204","15","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C252 H162 Cu18 N18 O90 -","18","1","","Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi","The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms","Journal of the American Chemical Society","2011","133","","17532","17535","10.1021/ja203898s","","","1.54178","CuKα","","0.161","0.1076","","","0.2449","0.2642","","","","","","1.064","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107262","18.378","0.003","18.378","0.003","27.486","0.008","90","","90","","120","","8040","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","11028","","","- C47 H72 Al N8 P3 -","- C47 H72 Al N8 P3 -","- C282 H432 Al6 N48 P18 -","6","0.333333","","P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu","Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron","Journal of the American Chemical Society","2011","133","","20724","20727","10.1021/ja2099744","","","0.71073","MoKα","","0.0665","0.0428","","","0.1183","0.1291","","","","","","1.173","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107593","19.8252","0.0005","19.8252","0.0005","24.8223","0.0009","90","","90","","120","","8449","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H8 F20 O4 -","- C44 H8 F20 O4 -","- C396 H72 F180 O36 -","9","0.5","","J. Sreedhar Reddy; Venkataramanarao G. Anand","Planar Meso Pentafluorophenyl Core Modified Isophlorins","Journal of the American Chemical Society","2008","130","","3718","3719","10.1021/ja710664y","","","0.71073","MoKα","","0.0514","0.0359","","","0.0877","0.1041","","","","","","1.046","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107741","19.81","0.003","19.81","0.003","14.18","0.002","90","","90","","120","","4819.2","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 Cu N3 O -","- C8 H16 Cu N3 O -","- C144 H288 Cu18 N54 O18 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0407","0.0363","","","0.096","0.0993","","","","","","1.028","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107742","19.6891","0.0008","19.6891","0.0008","14.1971","0.0007","90","","90","","120","","4766.3","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N3 -","- C6 H10 Cu N3 -","- C108 H180 Cu18 N54 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0482","0.0402","","","0.0732","0.077","","","","","","1.014","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107744","19.429","0.0017","19.429","0.0017","14.321","0.0019","90","","90","","120","","4681.7","0.8","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H14 Cu N3 O -","- C7 H14 Cu N3 O -","- C126 H252 Cu18 N54 O18 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0293","0.0266","","","0.0573","0.0587","","","","","","1.037","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107745","19.6052","0.0005","19.6052","0.0005","14.242","0.0004","90","","90","","120","","4740.7","0.2","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10 Cu N4 -","- C6 H10 Cu N4 -","- C108 H180 Cu18 N72 -","18","1","","Jie-Peng Zhang; Xiao-Ming Chen","Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework","Journal of the American Chemical Society","2008","130","","6010","6017","10.1021/ja800550a","","","0.71073","MoKα","","0.0367","0.0327","","","0.0734","0.0761","","","","","","1.015","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107916","11.7671","0.0008","11.7671","0.0008","14.9271","0.0014","90","","90","","120","","1790","0.2","291","2","291","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H4 Cd O6 -","- C4 H4 Cd O6 -","- C36 H36 Cd9 O54 -","9","0.5","","Bo Zheng; Hao Dong; Junfeng Bai; Yizhi Li; Shuhua Li; Manfred Scheer","Temperature Controlled Reversible Change of the Coordination Modes of the Highly Symmetrical Multitopic Ligand To Construct Coordination Assemblies: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","7778","7779","10.1021/ja800439p","","","0.71073","MoKα","","0.0194","0.0192","","","0.0503","0.0504","","","","","","1.092","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108097","40.173","0.002","40.173","0.002","7.1602","0.0006","90","","90","","120","","10007.5","1.1","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H12 N O2 S4 -","- C24 H12 N O2 S4 -","- C432 H216 N18 O36 S72 -","18","1","","Joseph A. Letizia; Michael R. Salata; Caitlin M. Tribout; Antonio Facchetti; Mark A. Ratner; Tobin J. Marks","n-Channel Polymers by Design: Optimizing the Interplay of Solubilizing Substituents, Crystal Packing, and Field-Effect Transistor Characteristics in Polymeric Bithiophene-Imide Semiconductors","Journal of the American Chemical Society","2008","130","","9679","9694","10.1021/ja710815a","","","0.71073","MoKα","","0.0856","0.0692","","","0.1971","0.2132","","","","","","1.069","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108182","20.5536","0.0004","20.5536","0.0004","34.614","0.001","90","","90","","120","","12663.6","0.5","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C51 H109 Cl3 Fe8 N7 O45.5 -","- C51 H108 Cl3 Fe8 N7 O45.5 -","- C306 H648 Cl18 Fe48 N42 O273 -","6","0.333333","","Tao Liu; Yan-Juan Zhang; Zhe-Ming Wang; Song Gao","A 64-Nuclear Cubic Cage Incorporating Propeller-like FeIII8 Apices and HCOO- Edges","Journal of the American Chemical Society","2008","130","","10500","10501","10.1021/ja803846z","","","0.71073","MoKα","","0.1142","0.0564","","","0.1471","0.1808","","","","","","1.006","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4108206","15.6083","0.0004","15.6083","0.0004","76.462","0.005","90","","90","","120","","16132","1.2","150","2","150","2","","","","","","","M. Manoli MMD91","6","R -3 :H","-R 3","148","","","","- C88 H212 Br3 Mn10 N10 O25 -","- C39.97 H99.81 Br6.01 Mn10 N9.99 O24.97 -","- C239.82 H598.86 Br36.06 Mn60 N59.94 O149.82 -","6","0.333333","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.0641","0.0464","","","0.1247","0.1305","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4108207","15.82","0.0003","15.82","0.0003","77.614","0.003","90","","90","","120","","16822.2","0.8","150","","150","","","","","","","","Maria Manoli, MMD208","6","R -3 :H","-R 3","148","","","","- C70 H169.8 I7.2 Mn10 N10 O25.8 -","- C40 H99.7998 I5.2 Mn10 N9.9999 O25.8001 -","- C240 H598.799 I31.2 Mn60 N59.9994 O154.801 -","6","0.333333","","Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin","Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers","Journal of the American Chemical Society","2008","130","","11129","11139","10.1021/ja802829d","","","0.71073","MoKα","","0.143","0.0779","","0.1548","0.0812","0.0812","","","","","","1.0139","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108396","28.827","0.002","28.827","0.002","7.7483","0.0013","90","","90","","120","","5576.2","1.1","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C11 H14 N6 O -","- C11.1443 H14.336 N6.048 O1.048 -","- C200.598 H258.048 N108.864 O18.864 -","18","1","","Ali Asadi; Brian O. Patrick; David M. Perrin","G^C Quartet - A DNA-Inspired Janus-GC Heterocycle: Synthesis, Structural Analysis, and Self-Organization","Journal of the American Chemical Society","2008","130","","12860","12861","10.1021/ja8047128","","","0.71073","MoKα","","0.0517","0.0422","","","0.1088","0.1152","","","","","","1.05","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108479","10.2858","0.0007","10.2858","0.0007","19.3715","0.0014","90","","90","","120","","1774.9","0.2","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H15 F6 O Sb -","- C9 H15 F6 O Sb -","- C54 H90 F36 O6 Sb6 -","6","0.333333","","Mark Mascal; Nema Hafezi; Nabin K. Meher; James C. Fettinger","Oxatriquinane and Oxatriquinacene: Extraordinary Oxonium Ions","Journal of the American Chemical Society","2008","130","","13532","13533","10.1021/ja805686u","","","0.71073","MoKα","","0.0229","0.0209","","","0.054","0.0552","","","","","","1.115","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108591","20.846","0.003","20.846","0.003","50.333","0.01","90","","90","","120","","18942","5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","2","","","- C164 H152 Cu6 F36 N24 O44 S12 -","- C163.94 H151.68 Cu6 F36 N24 O43.92 S12.02 -","- C491.82 H455.04 Cu18 F108 N72 O131.76 S36.06 -","3","0.166667","","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","","0.1603","0.1318","","","0.3318","0.3493","","","","","","1.206","","4108628","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108593","23.8971","0.0006","23.8971","0.0006","50.1378","0.0012","90","","90","","120","","24796.3","1.1","110.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C386 H348 Br6 N18 O22 -","- C385.982 H287.982 Br5.994 N18 O21.996 -","- C1157.95 H863.946 Br17.982 N54 O65.988 -","3","0.166667","","Shuichi Hiraoka; Koji Harano; Motoo Shiro; Mitsuhiko Shionoya","A Self-Assembled Organic Capsule Formed from the Union of Six Hexagram-Shaped Amphiphile Molecules","Journal of the American Chemical Society","2008","130","","14368","14369","10.1021/ja804885k","","","1.54187","CuKα","","","0.1545","","","","0.4376","","","","","","1.484","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108628","20.846","0.003","20.846","0.003","50.333","0.01","90","","90","","120","","18942","5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C164 H152 Cu6 F36 N24 O44 S12 -","- C163.94 H151.68 Cu6 F35.04 N24 O42.96 S12.02 -","- C491.82 H455.04 Cu18 F105.12 N72 O128.88 S36.06 -","3","0.166667","","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","","0.1355","0.1181","","","0.3458","0.36","","","","","","1.204","","","","has coordinates,has disorder","215354","2020-10-21","18:00:00",""
"4108703","27.83424","0.00011","27.83424","","6.242081","0.000026","90","","90","","120","","4188.12","0.02","","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 N Ni O6.94 P -","- C3 N Ni O6.9336 P -","- C54 N18 Ni18 O124.805 P18 -","18","1","","Stuart R. Miller; Gordon M. Pearce; Paul A. Wright; Francesca Bonino; Sachin Chavan; Silvia Bordiga; Irene Margiolaki; Nathalie Guillou; Gérard Férey; Sandrine Bourrelly; Philip L. Llewellyn","Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12","Journal of the American Chemical Society","2008","130","","15967","15981","10.1021/ja804936z","powder diffraction","x-ray","0.8002","synchrotron","","","","","","","","0.07533","","2.45","","","","","","","has coordinates,has Fobs","178833","2020-10-21","18:00:00",""
"4108704","27.91436","0.00012","27.91436","","6.165502","0.000021","90","","90","","120","","4160.59","0.02","","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 N Ni O4 P -","- C3 N Ni O4 P -","- C54 N18 Ni18 O72 P18 -","18","1","","Stuart R. Miller; Gordon M. Pearce; Paul A. Wright; Francesca Bonino; Sachin Chavan; Silvia Bordiga; Irene Margiolaki; Nathalie Guillou; Gérard Férey; Sandrine Bourrelly; Philip L. Llewellyn","Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12","Journal of the American Chemical Society","2008","130","","15967","15981","10.1021/ja804936z","powder diffraction","x-ray","0.8002","synchrotron","","","","","","","","0.064","","4.14","","","","","","","has coordinates,has Fobs","178833","2020-10-21","18:00:00",""
"4108801","17.8985","0.0004","17.8985","0.0004","25.1626","0.0011","90","","90","","120","","6981","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H60 Ag B Cl7 P3 -","- C39 H60 Ag B Cl7 P3 -","- C234 H360 Ag6 B6 Cl42 P18 -","6","0.333333","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.0242","0.0199","","","0.0509","0.0531","","","","","","1.038","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108802","17.751","0.0004","17.751","0.0004","25.16","0.0012","90","","90","","120","","6865.7","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H60 B Cl7 Cu P3 -","- C39 H60 B Cl7 Cu P3 -","- C234 H360 B6 Cl42 Cu6 P18 -","6","0.333333","","Marie Sircoglou; Sébastien Bontemps; Ghenwa Bouhadir; Nathalie Saffon; Karinne Miqueu; Weixing Gu; Maxime Mercy; Chun-Hsing Chen; Bruce M. Foxman; Laurent Maron; Oleg V. Ozerov; Didier Bourissou","Group 10 and 11 Metal Boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) Derived from a Triphosphine-Borane","Journal of the American Chemical Society","2008","130","","16729","16738","10.1021/ja8070072","","","0.71073","MoKα","","0.03","0.0252","","","0.0661","0.0691","","","","","","1.058","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108966","16.3466","0.0018","16.3466","0.0018","42.227","0.009","90","","90","","120","","9772","3","193","2","193","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C108 H95 Cl12 Fe Mn6 N24 Nb6 O17 -","- C108 H84 Cl12 Fe Mn6 N24 Nb6 O17.04 -","- C324 H252 Cl36 Fe3 Mn18 N72 Nb18 O51.12 -","3","0.166667","","Jianjun Zhang; Abdessadek Lachgar","Superexpanded Prussian-Blue Analogue with [Fe(CN)6]4-, [Nb6Cl12(CN)6]4-, and [Mn(salen)]+ as Building Units","Journal of the American Chemical Society","2007","129","","250","251","10.1021/ja066104c","","","0.71073","MoKα","","0.0672","0.0528","","","0.1225","0.1282","","","","","","1.102","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4109046","23.504","0.003","23.504","0.003","7.7038","0.0014","90","","90","","120","","3685.7","0.9","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","Cesium hexakis(2,6-dimethylphenylisocyanido)-niobium","","","- C54 H54 Cs N6 Nb -","- C54 H54 Cs N6 Nb -","- C162 H162 Cs3 N18 Nb3 -","3","0.166667","","Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis","Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1","Journal of the American Chemical Society","2007","129","","1141","1150","10.1021/ja065964q","","","0.71073","MoKα","","0.0524","0.0314","","","0.0776","0.0847","","","","","","1.004","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109048","23.49","0.016","23.49","0.016","7.772","0.005","90","0.012","90","0.012","120","0.01","3714","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","Cesium hexakis(2,6-dimethylphenylisocyanido)-tantalum","","","- C54 H54 Cs N6 Ta -","- C54 H54 Cs N6 Ta -","- C162 H162 Cs3 N18 Ta3 -","3","0.166667","","Mikhail V. Barybin; William W. Brennessel; Benjamin E. Kucera; Mikhail E. Minyaev; Victor J. Sussman; Victor G. Young; John E. Ellis","Homoleptic Isocyanidemetalates of 4d- and 5d-Transition Metals: [Nb(CNXyl)6]-, [Ta(CNXyl)6]-, and Derivatives Thereof1","Journal of the American Chemical Society","2007","129","","1141","1150","10.1021/ja065964q","","","0.71073","MoKα","","0.0355","0.0282","","","0.0606","0.0631","","","","","","1.077","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109068","13.4673","0.0005","13.4673","0.0005","33.922","0.002","90","","90","","120","","5328.1","0.4","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","iPr-[H12]","","","- C54 H138 P6 Rh6 -","- C54 H138 P6 Rh6 -","- C162 H414 P18 Rh18 -","3","0.166667","","Simon K. Brayshaw; Andrew Harrison; J. Scott McIndoe; Frank Marken; Paul R. Raithby; John E. Warren; Andrew S. Weller","Sequential Reduction of High Hydride Count Octahedral Rhodium Clusters [Rh6(PR3)6H12][BArF4]2: Redox-Switchable Hydrogen Storage","Journal of the American Chemical Society","2007","129","","1793","1804","10.1021/ja066940m","","","0.846","Synchrotron","","0.0185","0.0179","","","0.0454","0.0459","","","","","","1.052","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109224","22.5983","0.0005","22.5983","0.0005","25.7313","0.0005","90","","90","","120","","11380","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","Compound X","","","- C24.67 H27 Cl N3.33 O4 U -","- C24.6667 H26.99 Cl N3.33333 O4 U -","- C444 H485.82 Cl18 N60 O72 U18 -","18","1","","Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen","Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State","Journal of the American Chemical Society","2007","129","","3641","3648","10.1021/ja068561z","","","0.71073","MoKα","","0.0637","0.0499","","","0.0931","0.0969","","","","","","1.276","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109275","21.8372","0.0018","21.8372","0.0018","69.813","0.011","90","","90","","120","","28831","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61.33 H87 Cl3.33 N7.33 O9.83 -","- C61.3333 H87 Cl3.33333 N7.33333 O9.83333 -","- C1104 H1566 Cl60 N132 O177 -","18","1","","Guzmán Gil-Ramírez; Jordi Benet-Buchholz; Eduardo C. Escudero-Adán; Pablo Ballester","Solid-State Self-Assembly of a Calix[4]pyrrole-Resorcinarene Hybrid into a Hexameric Cage","Journal of the American Chemical Society","2007","129","","3820","3821","10.1021/ja070037k","","","0.71073","MoKα","","0.1043","0.0719","","","0.2098","0.2524","","","","","","1.049","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109472","16.1661","0.0004","16.1661","0.0004","16.4796","0.0009","90","","90","","120","","3729.8","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H44 N2 O14 Zn3 -","- C53.94 H43.86 N1.98 O13.98 Zn3 -","- C161.82 H131.58 N5.94 O41.94 Zn9 -","3","0.166667","","Christina A. Bauer; Tatiana V. Timofeeva; Thomas B. Settersten; Brian D. Patterson; Vincent H. Liu; Blake A. Simmons; Mark D. Allendorf","Influence of Connectivity and Porosity on Ligand-Based Luminescence in Zinc Metal-Organic Frameworks","Journal of the American Chemical Society","2007","129","","7136","7144","10.1021/ja0700395","","","0.71073","MoKα","","0.032","0.0242","","","0.0561","0.0586","","","","","","1.008","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109492","29.927","0.003","29.927","0.003","39.912","0.008","90","","90","","120","","30957","8","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C132 H348 La20 N36 Ni30 O288 -","- C132 H150 La20 N36 Ni30 O216 -","- C396 H450 La60 N108 Ni90 O648 -","3","0.166667","","Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Rong-Bin Huang; Lan-Sun Zheng","A Keplerate Magnetic Cluster Featuring an Icosidodecahedron of Ni(II) Ions Encapsulating a Dodecahedron of La(III) Ions","Journal of the American Chemical Society","2007","129","","7016","7017","10.1021/ja0726198","","","0.71073","MoKα","","0.0573","0.0498","","","0.1338","0.1375","","","","","","1.103","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4110155","37.8491","0.001","37.8491","0.001","33.4157","0.0017","90","","90","","120","","41456","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C112.5 H136.25 F36 N12 O26 P6 Pd1.5 S0 -","- C112.5 H136.254 F36.06 N12 O26 P6.01 Pd1.5 -","- C1350 H1635.05 F432.72 N144 O312 P72.12 Pd18 -","12","0.666667","","Víctor Blanco; Marcos Chas; Dolores Abella; Carlos Peinador; José M. Quintela","Molecular Catenation via Metal-Directed Self-Assembly and π-Donor/π-Acceptor Interactions: Efficient One-Pot Synthesis, Characterization, and Crystal Structures of [3]Catenanes Based on Pd or Pt Dinuclear Metallocycles","Journal of the American Chemical Society","2007","129","","13978","13986","10.1021/ja074721a","","","0.71073","MoKα","","0.1882","0.0816","","","0.2154","0.2623","","","","","","0.918","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110278","17.64","0.002","17.64","0.002","45.187","0.011","90","","90","","120","","12177","4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H145 Cl16 Cu12 Gd7 N18 O142 -","- C36 H74 Cl16 Cu12 Gd7 N18 O142.002 -","- C108 H222 Cl48 Cu36 Gd21 N54 O426.006 -","3","0.166667","","Shengchang Xiang; Shengmin Hu; Tianlu Sheng; Ruibiao Fu; Xintao Wu; Xudong Zhang","A Fan-Shaped Polynuclear Gd6Cu12 Amino Acid Cluster: A ""Hollow"" and Ferromagnetic [Gd6(μ3-OH)8] Octahedral Core Encapsulated by Six [Cu2] Glycinato Blade Fragments","Journal of the American Chemical Society","2007","129","","15144","15146","10.1021/ja0760832","","","0.71073","MoKα","","0.0491","0.0457","","","0.1193","0.1219","","","","","","1.095","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4110512","16.4332","0.0002","16.4332","0.0002","57.6317","0.0009","90","","90","","120","","13478.3","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C80 H144 Fe4 O18 -","- C80 H144 Fe4 O18 -","- C480 H864 Fe24 O108 -","6","0.333333","","Stefania Accorsi; Anne-Laure Barra; Andrea Caneschi; Guillaume Chastanet; Andrea Cornia; Antonio C. Fabretti; Dante Gatteschi; Cecilia Mortalò; Emiliano Olivieri; Francesca Parenti; Patrick Rosa; Roberta Sessoli; Lorenzo Sorace; Wolfgang Wernsdorfer; Laura Zobbi","Tuning Anisotropy Barriers in a Family of Tetrairon(III) Single-Molecule Magnets with an S = 5 Ground State","Journal of the American Chemical Society","2006","128","","4742","4755","10.1021/ja0576381","","","0.71073","MoKα","","0.0806","0.0648","","","0.1586","0.1759","","","","","","1.059","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110567","16.3263","0.001","16.3263","0.001","32.4","0.004","90","","90","","120","","7479.1","1.1","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","Badjic 1424","","","- C61 H40 Cl3 N3 O6 -","- C65.5 H39 Cl3.01 N3 O6 -","- C393 H234 Cl18.06 N18 O36 -","6","0.333333","","Veselin Maslak; Zhiqing Yan; Shijing Xia; Judith Gallucci; Christopher M. Hadad; Jovica D. Badjić","Design, Synthesis, and Conformational Dynamics of a Gated Molecular Basket","Journal of the American Chemical Society","2006","128","","5887","5894","10.1021/ja060534l","","x-ray","0.71073","MoKα","","0.1184","0.1019","","","0.2801","0.2976","","","","","","1.068","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110570","12.363","0.006","12.363","0.006","49.13","0.02","90","","90","","120","","6503","5","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","[Ag2(bptz)3][SbF6]2","","","- C36 H24 Ag2 F12 N18 Sb2 -","- C36 H24 Ag2 F12 N18 Sb2 -","- C216 H144 Ag12 F72 N108 Sb12 -","6","0.333333","","Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar","Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings","Journal of the American Chemical Society","2006","128","","5895","5912","10.1021/ja0606273","","","0.71073","MoKα","","0.0366","0.0304","","","0.0715","0.0743","","","","","","1.047","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110659","27.706","0.004","27.706","0.004","9.123","0.002","90","","90","","120","","6064.8","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H126 Li12 N6 Si6 -","- C66 H126 Li12 N6 Si6 -","- C198 H378 Li36 N18 Si18 -","3","0.166667","","Carsten Strohmann; Klaus Lehmen; Stefan Dilsky","A Monolithiated and Its Related 1,3-Dilithiated Allylsilane: Syntheses, Crystal Structures, and Reactivity","Journal of the American Chemical Society","2006","128","","8102","8103","10.1021/ja061286w","","","0.71073","MoKα","","0.0995","0.0566","","","0.1305","0.1422","","","","","","1.032","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110732","7.3166","0.0003","7.3166","0.0003","26.1924","0.0013","90","","90","","120","","1214.3","0.09","130","2","130","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C6 H16 F6 N4 Ni3 O8 S2 -","- C6 H16 F6 N4 Ni3 O8 S2 -","- C18 H48 F18 N12 Ni9 O24 S6 -","3","0.166667","","J. N. Behera; C. N. R. Rao","A Ni2+ (S = 1) Kagome Compound Templated by 1,8-Diazacubane","Journal of the American Chemical Society","2006","128","","9334","9335","10.1021/ja063385f","","","0.71073","MoKα","","0.0343","0.0328","","0.0933","0.0924","","","","1.126","1.161","1.161","","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110831","24.108","0.014","24.108","0.014","7.745","0.005","90","","90","","120","","3898","4","133","2","133","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H15 B3 F9 N3 O3 -","- C27 H15 B3 F9 N3 O3 -","- C162 H90 B18 F54 N18 O18 -","6","0.333333","","Justin A. Riddle; Stephen P. Lathrop; John C. Bollinger; Dongwhan Lee","Schiff Base Route to Stackable Pseudo-Triphenylenes: Stereoelectronic Control of Assembly and Luminescence","Journal of the American Chemical Society","2006","128","","10986","10987","10.1021/ja061307m","","","0.71073","MoKα","","0.0835","0.0447","","","0.1008","0.1307","","","","","","1.026","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110874","48.415","0.001","48.415","0.001","10.6278","0.0002","90","","90","","120","","21574.2","0.7","120","1","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C135 H141 Gd3 N24 O27 -","- C135 H132 Gd3 N24 O27 -","- C810 H792 Gd18 N144 O162 -","6","0.333333","","Katell Sénéchal-David; Anne Hemeryck; Nicolas Tancrez; Loïc Toupet; J. A. Gareth Williams; Isabelle Ledoux; Joseph Zyss; Abdou Boucekkine; Jean-Paul Guégan; Hubert Le Bozec; Olivier Maury","Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity","Journal of the American Chemical Society","2006","128","","12243","12255","10.1021/ja063586j","","","0.71069","MoKα","","0.183","0.0944","","","0.2424","0.3029","","","","","","1.02","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4111102","24.178","0.0016","24.178","0.0016","54.747","0.008","90","","90","","120","","27716","5","133","2","133","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 F36 Mn3 N6 O3 P2 -","- C71.97 H48 F36 Mn3 N6 O3 P2 -","- C863.64 H576 F432 Mn36 N72 O36 P24 -","12","0.666667","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.0826","0.0598","","","0.1628","0.1762","","","","","","1.038","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111105","24.1481","0.0011","24.1481","0.0011","54.053","0.005","90","","90","","120","","27297","3","143","2","143","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 F36 Mg3 N6 O3 P2 -","- C71.97 H48 F36 Mg3 N6 O3 P2 -","- C863.64 H576 F432 Mg36 N72 O36 P24 -","12","0.666667","","Jillian A. Hatnean; Ritu Raturi; Julie Lefebvre; Daniel B. Leznoff; Gavin Lawes; Samuel A. Johnson","Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin-Spin Coupling","Journal of the American Chemical Society","2006","128","","14992","14999","10.1021/ja065597i","","","0.71073","MoKα","","0.1218","0.0982","","","0.2915","0.3128","","","","","","1.219","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111131","25.322","0.005","25.322","0.005","14.746","0.006","90","","90","","120","","8188","4","150","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co(4-quindpm)~3~","","","- C54 H36 Co N9 -","- C54 H36 Co N9 -","- C324 H216 Co6 N54 -","6","0.333333","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0941","0.0732","","","0.2469","0.2615","","","","","","1.116","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111133","25.335","0.008","25.335","0.008","14.613","0.009","90","","90","","120","","8123","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Fe(quindpm)~3~","","","- C54 H36 Fe N9 -","- C54 H36 Fe N9 -","- C324 H216 Fe6 N54 -","6","0.333333","","Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen","Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design","Journal of the American Chemical Society","2006","128","","15255","15268","10.1021/ja0645483","","","0.71073","MoKα","","0.0872","0.0759","","","0.2468","0.2563","","","","","","1.136","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111418","25.9322","0.0015","25.9322","0.0015","6.8365","0.0004","90","","90","","120","","3981.5","0.4","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H20 N2 O10 Zn2 -","- C14 H2 N2 O8.98 Zn2 -","- C126 H18 N18 O80.82 Zn18 -","9","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0527","0.0464","","","0.1104","0.1133","","","","","","1.154","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111519","20.214","0.003","20.214","0.003","18.353","0.004","90","","90","","120","","6494","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga13 H72 N15 O99 -","- Ga13 H72 N15 O97.62 -","- Ga39 H216 N45 O292.86 -","3","0.166667","","Elisabeth Rather; Jason T. Gatlin; Paul G. Nixon; Takuji Tsukamoto; Victor Kravtsov; Darren W. Johnson","A Simple Organic Reaction Mediates the Crystallization of the Inorganic Nanocluster [Ga13(μ3-OH)6(μ2-OH)18(H2O)24](NO3)15","Journal of the American Chemical Society","2005","127","","3242","3243","10.1021/ja043520t","","","0.71073","MoKα","","0.0349","0.031","","","0.0969","0.0988","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111907","29.457","0.005","29.457","0.005","54.236","0.02","90","","90","","120","","40756","18","258","2","258","2","","","","","","","","6","R -3 :H","-R 3","148","MOP-28","Copper(II) Terthiophenedicarboxylate","","- C198 H72 Cu12 N6 O60 S36 -","- C198 H72 Cu12 N6 O60 S36 -","- C594 H216 Cu36 N18 O180 S108 -","3","0.166667","","Zheng Ni; Abderrahim Yassar; Tarek Antoun; Omar M. Yaghi","Porous Metal-Organic Truncated Octahedron Constructed from Paddle-Wheel Squares and Terthiophene Links","Journal of the American Chemical Society","2005","127","","12752","12753","10.1021/ja052055c","","","0.71073","MoKα","","0.0694","0.043","","","0.0947","0.0986","","","","","","1.004","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112147","31.4651","0.0006","31.4651","0.0007","18.8447","0.0007","90","","90","","120","","16157.6","0.8","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H16 Cl13 O4 -","- C26.9433 H2 Cl13 O4 -","- C484.98 H36 Cl234 O72 -","18","1","","Daniel Maspoch; Neus Domingo; Daniel Ruiz-Molina; Klaus Wurst; Javier Tejada; Concepció Rovira; Jaume Veciana","A Robust Nanocontainer Based on a Pure Organic Free Radical","Journal of the American Chemical Society","2004","126","","730","731","10.1021/ja038988v","","","0.71073","MoKα","","0.064","0.0461","","","0.1183","0.1271","","","","","","1.025","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112302","20.2403","0.0009","20.2403","0.0009","24.0482","0.0016","90","","90","","120","","8531.9","0.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.71073","MoKα","","0.0502","0.0469","","","0.1178","0.1203","","","","","","1.102","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112351","28.661","0.002","28.661","0.002","14.6656","0.0017","90","","90","","120","","10433.1","1.6","194","2","194","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C486 H540 N36 O18 -","18","1","","Artis Klapars; Sean Parris; Kevin W. Anderson; Stephen L. Buchwald","Synthesis of Medium Ring Nitrogen Heterocycles via a Tandem Copper-Catalyzed C-N Bond Formation-Ring-Expansion Process","Journal of the American Chemical Society","2004","126","","3529","3533","10.1021/ja038565t","","","0.71073","MoKα","","0.1146","0.0963","","","0.2802","0.2952","","","","","","1.14","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112474","43.91","0.007","43.91","0.007","19.208","0.007","90","","90","","120","","32073","14","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","[Dipp*Ge(PhC=CPh)GeDipp*].1.5n-hexane.0.17methylcyclopentane","","","- C84 H107.38 Ge2 -","- C83.9933 H84 Ge2 -","- C1511.88 H1512 Ge36 -","18","1","","Chunming Cui; Marilyn M. Olmstead; Philip P. Power","Reactivity of Ar'GeGeAr' (Ar' = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-iPr2) toward Alkynes: Isolation of a Stable Digermacyclobutadiene","Journal of the American Chemical Society","2004","126","","5062","5063","10.1021/ja0318481","","","1.54178","CuKα","","0.0767","0.0586","","","0.1565","0.1705","","","","","","1.044","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112605","35.3637","0.0012","35.3637","0.0012","9.8575","0.0005","90","","90","","120","","10676.1","0.7","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H44 B2 N16 O2 Re2 -","- C34 H44 B2 N16 O2 Re2 -","- C306 H396 B18 N144 O18 Re18 -","9","0.5","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0352","0.0285","","","0.077","0.0791","","","","","","0.97","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112743","26.5165","0.0015","26.5165","0.0015","27.736","0.002","90","","90","","120","","16889.1","1.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C38 H35 B N6 O2 S Zn -","- C38 H35 B N6 O2 S Zn -","- C684 H630 B18 N108 O36 S18 Zn18 -","18","1","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.0908","0.0665","","","0.1967","0.2107","","","","","","0.981","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4113090","43.276","0.002","43.276","0.002","12.6051","0.001","90","","90","","120","","20444","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H65 Fe N3 -","- C52 H65 Fe N3 -","- C936 H1170 Fe18 N54 -","18","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1136","0.0616","","","0.1605","0.187","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113578","19.136","0.003","19.136","0.003","25.373","0.005","90","","90","","120","","8046","2","223","2","223","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H74 I4 O11 Sr3 -","- C36 H74 I4 O11 Sr3 -","- C216 H444 I24 O66 Sr18 -","6","0.333333","","Katharina M. Fromm; Estelle D. Gueneau; Gerald Bernardinelli; Helmut Goesmann; J. Weber; M.-J. Mayor-López; P. Boulet; H. Chermette","Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals: A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations","Journal of the American Chemical Society","2003","125","","3593","3604","10.1021/ja0205737","","","0.71073","MoKα","","0.206","0.1631","","","0.4797","0.5294","","","","","","4.533","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113592","15.4332","0.0008","15.4332","0.0008","44.421","0.005","90","","90","","120","","9162.9","1.2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C51 H75 B2 Fe3 Mo N6 P3 S4 -","- C51.02 H74.02 B2 Fe3 Mo N6 P3 S4 -","- C306.12 H444.12 B12 Fe18 Mo6 N36 P18 S24 -","6","0.333333","","Yugen Zhang; R. H. Holm","Synthesis of a Molecular Mo2Fe6S9 Cluster with the Topology of the PN Cluster of Nitrogenase by Rearrangement of an Edge-Bridged Mo2Fe6S8 Double Cubane","Journal of the American Chemical Society","2003","125","","3910","3920","10.1021/ja0214633","","","0.71073","MoKα","","0.0796","0.0657","","","0.19","0.206","","","","","","1.094","","","","has coordinates,has disorder","178906","2020-10-21","18:00:00",""
"4114062","23.6408","0.0007","23.6408","0.0007","45.2398","0.0019","90","","90","","120","","21896.5","1.3","98","2","98","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C53 H54 Cl2 N2 P Ru -","- C52.738 H53.738 Cl2 N2 P Ru -","- C949.284 H967.284 Cl36 N36 P18 Ru18 -","18","1","","Jennifer A. Love; Melanie S. Sanford; Michael W. Day; Robert H. Grubbs","Synthesis, Structure, and Activity of Enhanced Initiators for Olefin Metathesis","Journal of the American Chemical Society","2003","125","","10103","10109","10.1021/ja027472t","","","0.71073","MoKα","","0.0812","0.0559","","","0.1361","0.1377","","","","","","3.793","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4114206","20.0878","0.001","20.0878","0.001","23.882","0.003","90","","90","","120","","8345.8","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Hiromitsu Maeda; Yuichi Ishikawa; Tomoyuki Matsuda; Atsuhiro Osuka; Hiroyuki Furuta","Control of Cu(II) and Cu(III) States in N-Confused Porphyrin by Protonation/Deprotonation at the Peripheral Nitrogen","Journal of the American Chemical Society","2003","125","","11822","11823","10.1021/ja0356075","","","0.71073","MoKα","","0.0947","0.0681","","","0.1757","0.2006","","","","","","1.038","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114275","22.5","0.003","22.5","0.003","19.7","0.004","90","","90","","120","","8637","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H42 O8 Zn7 -","- C14 H41.985 O8 Zn7 -","- C168 H503.82 O96 Zn84 -","12","0.666667","","Janusz Lewiński; Wojciech Marciniak; Janusz Lipkowski; Iwona Justyniak","New Insights into the Reaction of Zinc Alkyls with Dioxygen","Journal of the American Chemical Society","2003","125","","12698","12699","10.1021/ja036020t","","","0.71073","MoKα","","0.0513","0.0398","","","0.0819","0.0863","","","","","","1.248","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114369","40.0967","0.0009","40.0967","0.0009","6.2389","0.0003","90","","90","","120","","8686.7","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19.33 H28.67 Cl0.67 N2 O4 -","- C19 H28 N2 O4 -","- C342 H504 N36 O72 -","18","1","","Christopher E. Katz; Jeffrey Aubé","Unusual Tethering Effects in the Schmidt Reaction of Hydroxyalkyl Azides with Ketones: Cation-π and Steric Stabilization of a Pseudoaxial Phenyl Group","Journal of the American Chemical Society","2003","125","","13948","13949","10.1021/ja0382361","","","0.71073","MoKα","","0.0541","0.0466","","","0.1172","0.1214","","","","","","1.033","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114585","15.285","0.001","15.2855","","39.656","0.002","90","","90","","120","","8023.9","0.7","293.2","","293.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H28.5 Cl1.5 Co N10 O6 -","- C21 H28.5 Cl1.5 Co0.333 N9.333 O6 -","- C252 H342 Cl18 Co3.996 N111.996 O72 -","12","0.666667","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0411","0.041","","0.032","","0.032","","","1.951","","","1.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115073","26.4905","0.0012","26.4905","0.0012","20.5306","0.0013","90","","90","","120","","12477.1","1.1","100","2","373","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H46 N2 Ni O2 P2 -","- C22 H46 N2 Ni O2 P2 -","- C396 H828 N36 Ni18 O36 P36 -","18","1","","Daniel J. Mindiola; Gregory L. Hillhouse","Synthesis, Structure, and Reactions of a Three-Coordinate Nickel-Carbene Complex, {1,2-Bis(di-tert-butylphosphino)ethane}NiCPh2","Journal of the American Chemical Society","2002","124","","9976","9977","10.1021/ja0269183","","","0.71073","MoKα","","0.0968","0.0914","","","0.2178","0.2219","","","","","","1.099","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115119","24.0134","0.0001","24.0134","0.0001","9.8698","0.0001","90","","90","","120","","4928.86","0.06","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 S6 -","- C32.09 H30 S6 -","- C192.54 H180 S36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0662","0.0379","","","0.0928","0.1031","","","","","","1.031","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115121","24.0399","0.0006","24.0399","0.0006","10.2535","0.0004","90","","90","","120","","5131.8","0.3","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C33.39 H30 Se6 -","- C200.34 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0589","0.0337","","","0.0786","0.087","","","","","","1.029","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115123","24.5349","0.0005","24.5349","0.0005","10.0177","0.0003","90","","90","","120","","5222.4","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H35 Cl Se6 -","- C32.94 H34.95 Cl0.99 Se6 -","- C197.64 H209.7 Cl5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Nanotube Formation Favored by Chalcogen-Chalcogen Interactions","Journal of the American Chemical Society","2002","124","","10638","10639","10.1021/ja027146d","","","0.71073","MoKα","","0.0467","0.0318","","","0.0811","0.0872","","","","","","1.071","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115125","26.0198","0.0019","26.0198","0.0019","40.147","0.006","90","","90","","120","","23539","4","173","2","173","2","","","","","","","Elizabeth Lewis","7","R -3 :H","-R 3","148","02148","L1Cu(O)2CuL2","","- C37 H59 Cu2 F3 N4 O5 S -","- C37 H59 Cu2 F3 N4 O5 S -","- C666 H1062 Cu36 F54 N72 O90 S18 -","18","1","","Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; William W. Brennessel; Christopher J. Cramer; William B. Tolman","Snapshots of Dioxygen Activation by Copper: The Structure of a 1:1 Cu/O2 Adduct and Its Use in Syntheses of Asymmetric Bis(μ-oxo) Complexes","Journal of the American Chemical Society","2002","124","","10660","10661","10.1021/ja027164v","","","0.71073","MoKα","","0.065","0.0409","","","0.0982","0.1049","","","","","","0.973","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115352","15.4332","0.0008","15.4332","0.0008","44.421","0.005","90","","90","","120","","9162.9","1.2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C51 H75 B2 Fe3 Mo N6 P3 S4 -","- C51.02 H75.02 B2 Fe3 Mo N6 P3 S4 -","- C306.12 H450.12 B12 Fe18 Mo6 N36 P18 S24 -","6","0.333333","","Yugen Zhang; Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm","Rearrangement of Symmetrical Dicubane Clusters into Topological Analogues of the P Cluster of Nitrogenase: Nature's Choice?","Journal of the American Chemical Society","2002","124","","14292","14293","10.1021/ja0279702","","","0.71073","MoKα","","0.0796","0.0657","","","0.19","0.206","","","","","","1.094","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115371","40.805","0.006","40.805","0.006","60.53","0.01","90","","90","","120","","87283","2","93.2","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C124 H120 Ag4 N24 O18 S4 -","- C123.25 H105.75 Ag4 N24 O15.75 S3.25 -","- C2958 H2538 Ag96 N576 O378 S78 -","24","1.33333","","Shuichi Hiraoka; Tao Yi; Motoo Shiro; Mitsuhiko Shionoya","Triangular and Tetrahedral Array of Silver(I) Ions by a Novel Disk-Shaped Tridentate Ligand: Dynamic Control of Coordination Equilibrium of the Silver(I) Complexes","Journal of the American Chemical Society","2002","124","","14510","14511","10.1021/ja028659n","","","0.7107","MoKα","","","0.0887","","","","0.128","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115437","33.198","0.004","33.198","0.004","10.5639","0.0015","90","","90","","120","","10083","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H24 N2 O2 Se2 -","- C22 H24 N2 O2 Se2 -","- C396 H432 N36 O36 Se36 -","18","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1336","0.05","","0.1092","0.0837","","","","1.03","1.113","1.113","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115530","22.276","0.001","22.276","0.001","25.348","0.001","90","","90","","120","","10893","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25.33333 H16.33333 Cl N4 O8 -","- C25.3333 H16.3333 Cl N4 O8 -","- C456 H294 Cl18 N72 O144 -","18","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1455","0.0483","","0.1616","0.1331","","","","1.036","1.284","1.284","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4115761","8.9237","0.001","8.9237","0.001","13.4474","0.0013","90","","90","","120","","927.38","0.17","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H8 F4 I2 O2 -","- C6 H8.04 F3.96 I2 O2 -","- C18 H24.12 F11.88 I6 O6 -","3","0.166667","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71073","MoKα","","0.0819","0.0438","","","0.1006","0.1183","","","","","","1.047","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115934","12.22","0.001","12.22","","28.927","0.003","90","","90","","120","","3740.9","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","(K-crypt)2Bi2","","- C36 H72 Bi2 K2 N4 O12 -","- C36 H72 Bi2 K2 N4 O12 -","- C108 H216 Bi6 K6 N12 O36 -","3","0.166667","","Li Xu; Svilen Bobev; Jaouad El-Bahraoui; Slavi C. Sevov","A Naked Diatomic Molecule of Bismuth, [Bi2]2-, with a Short Bi-Bi Bond: Synthesis and Structure","Journal of the American Chemical Society","2000","122","","1838","1839","10.1021/ja992422i","","","0.71073","MoKα","","0.0341","0.0283","","","0.0682","0.0712","","","","","","1.077","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116071","31.7444","0.0015","31.7444","0.0015","23.6164","0.0011","90","","90","","120","","20610","1.7","173","2","173","2","","","","","","","Patrick Holland","5","R -3 :H","-R 3","148","00122","L(iPr)Cu(SCPh2CH2SCH3) * (C2H5)2O","","- C44 H56 Cu N2 S2 -","- C44 H56 Cu N2 S2 -","- C792 H1008 Cu18 N36 S36 -","18","1","","Patrick L. Holland; William B. Tolman","A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) Complex","Journal of the American Chemical Society","2000","122","","6331","6332","10.1021/ja001328v","","","0.71073","MoKα","","0.12","0.0578","","","0.1083","0.1271","","","","","","1.026","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116087","43.981","0.002","43.981","0.001","17.017","0.001","90","","90","","120","","28506","2","143.2","","143.2","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C103 H115 Cl3 N6 O12 -","- C103.001 H114.75 Cl2.833 N6 O12 -","- C1236.01 H1377 Cl33.996 N72 O144 -","12","0.666667","","Hidemitsu Uno; Takashi Inoue; Yumiko Fumoto; Motoo Shiro; Noboru Ono","meso-Unsubstituted Porphyrinogens and Hexaphyrinogens: The First X-ray Characterization","Journal of the American Chemical Society","2000","122","","6773","6774","10.1021/ja000482e","","","0.7107","MoKα","","","0.0756","","","","0.0941","","","","","","1.739","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116448","7.9364","0.0005","7.9364","0.0005","14.4339","0.001","90","","90","","120","","787.34","0.09","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","dititanium hexaniobium dodecaoxide","","- Nb6 O12 Ti2 -","- Nb6 O12 Ti2.16 -","- Nb18 O36 Ti6.48 -","3","0.166667","","Ekaterina V. Anokhina; Michael W. Essig; Cynthia S. Day; Abdessadek Lachgar","Ti2Nb6O12, a Novel Niobium Oxide Cluster Compound with ""Chevrel Phase"" Intercluster Connectivity Type","Journal of the American Chemical Society","1999","121","","6827","6833","10.1021/ja990759e","","","0.71073","MoKα","","0.0219","0.018","","","0.0342","0.0349","","","","","","1.116","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116532","33.401","0.007","33.401","0.007","9.241","0.004","90","","90","","120","","8928","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","ZnDachPO","zinc(1,2-diaminocyclohexane)phosphate","","- C6 H21 N2 O14 P3 Zn3 -","- C6 H21 N2 O14 P3 Zn3 -","- C108 H378 N36 O252 P54 Zn54 -","18","1","","Guo-Yu Yang; Slavi C. Sevov","Zinc Phosphate with Gigantic Pores of 24 Tetrahedra","Journal of the American Chemical Society","1999","121","","8389","8390","10.1021/ja991985r","","","0.71073","MoKα","","0.0704","0.0523","","","0.1471","0.1592","","","","","","1.101","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116549","37.73","0.02","37.73","0.02","10.323","0.005","90","","90","","120","","12727","11","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","tetra(p-tolyl)porphyrin-Sn-(α-naphthoxy)2","","- C68 H50 N4 O2 Sn -","- C68 H50 N4 O2 Sn -","- C612 H450 N36 O18 Sn9 -","9","0.5","","Shai Nimri; Ehud Keinan","Antibody-Metalloporphyrin Catalytic Assembly Mimics Natural Oxidation Enzymes","Journal of the American Chemical Society","1999","121","","8978","8982","10.1021/ja990314q","","","0.71069","MoKα","","0.2851","0.0951","","","0.1714","0.2501","","","","","","0.962","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116559","13.2949","0.0005","13.2949","0.0005","61.02","0.003","90","","90","","120","","9340.6","0.7","200","","","","","","","","","","","8","R -3 :H","-R 3","148","","{4,4',4""-[nitrilotris-[2,1-ethanediyl(N-methylcarboxamido)]]tris[2-(6-N,N diethylcarboxamidopyridine)]} Europium(III) tris(trifluoromethanesulfonate)- hexafluorophosphate hemi acetonitrile.","","- C46 H62.5 Eu F15 N10.5 O15 P S3 -","- C46 H61 Eu F15.001 N10.5 O15 P S3 -","- C276 H366 Eu6 F90.006 N63 O90 P6 S18 -","6","0.333333","","Fabien Renaud; Claude Piguet; Gérald Bernardinelli; Jean-Claude Bünzli; Gérard Hopfgartner","Nine-Coordinate Lanthanide Podates with Predetermined Structural and Electronic Properties: Facial Organization of Unsymmetrical Tridentate Binding Units by a Protonated Covalent Tripod","Journal of the American Chemical Society","1999","121","","9326","9342","10.1021/ja990898w","","","1.54183","CuKα","","","0.065","","","","0.062","","","","","","2.687","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117185","36.021","0.002","36.021","0.002","10.646","0.002","90","","90","","120","","11963","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33.67 H23.67 N O5.17 P -","- C33.68 H23.7 N O5.17 P -","- C606.24 H426.6 N18 O93.06 P18 -","18","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; Kumara K. C. Swamy","Bi- and Tricyclic Penta- and Hexacoordinated Phosphoranes with Varying Ring Sizes: Synthesis, Structures, and Reactivity","Journal of the American Chemical Society","1996","118","","9841","9849","10.1021/ja960554v","","","0.71073","MoKα","","0.0655","0.041","","0.0989","0.0889","","","","1.03","1.099","1.099","","","","","has coordinates,has disorder","178942","2020-10-21","18:00:00",""
"4117215","12.215","0.002","12.218","0.003","26.562","0.006","90","","90","","120","","3433.1","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Lithium-1,1-bicyclopropylethanolate","","- C8 H13 Li O -","- C8 H13 Li O -","- C144 H234 Li18 O18 -","18","1","","Bernd Goldfuss; Paul von Ragué Schleyer; Frank Hampel","A ""Lithium-Bonded"" Cyclopropyl Edge: The X-ray Crystal Structure of [Li-O-C(Me)-(c-CHCH2CH2)2]6 and Computational Studies","Journal of the American Chemical Society","1996","118","","12183","12189","10.1021/ja9618661","","","0.71073","MoKα","","0.0654","0.0492","","0.1385","0.1234","","","","1.11","1.136","1.136","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117230","57.7039","0.0004","57.7039","0.0004","70.9767","0.0009","90","","90","","120","","204671","3","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C1225.5 H1327.5 Cd66 N128.5 O332.5 -","- C949.5 H671.5 Cd66 N28.5 O216.5 -","- C5697 H4029 Cd396 N171 O1299 -","6","0.333333","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.138","0.0888","","","0.238","0.272","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117359","9.2688","0.0003","9.2688","0.0003","88.532","0.003","90","","90","","120","","6586.9","0.4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H18 F12 O18 S6 Zn3 -","- C6 H18 F12 O18 S6 Zn3 -","- C54 H162 F108 O162 S54 Zn27 -","9","0.5","","Yuta Fujiwara; Janice A. Dixon; Rodrigo A. Rodriguez; Ryan D. Baxter; Darryl D. Dixon; Michael R. Collins; Donna G. Blackmond; Phil S. Baran","A New Reagent for Direct Difluoromethylation","Journal of the American Chemical Society","2012","134","","1494","1497","10.1021/ja211422g","","","1.54178","CuKα","","0.1124","0.0935","","","0.2759","0.3022","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117370","6.6166","0.0003","6.6166","0.0003","19.2585","0.0009","90","","90","","120","","730.17","0.06","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C3 Mn N3 Na -","- C3 Mn N3 Na -","- C18 Mn6 N18 Na6 -","6","0.333333","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.699994","synchrotron","","","","","","","","","","1.274","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117413","5.754547","0.000012","5.754547","0.000012","28.503915","0.000079","90","","90","","120","","817.443","0.003","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag9 F18 Mo6 Na9 O18 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","288013","2023-12-04","16:58:37",""
"4117414","5.741466","0.000018","5.741466","0.000018","28.63794","0.00011","90","","90","","120","","817.557","0.005","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Na1.5 O3 W -","- Ag1.5 F3 Na1.5 O3 W -","- Ag9 F18 Na9 O18 W6 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117466","25.8259","0.0015","25.8259","0.0015","12.3664","0.0007","90","","90","","120","","7143.1","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Cl2 -","- C96 H132 Ag14 Cl2 -","- C288 H396 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0285","0.0255","","","0.0654","0.0675","","","","","","1.05","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117467","24.4626","0.0014","24.4626","0.0014","14.0339","0.0007","90","","90","","120","","7273","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Ag14 Cl2 -","- C96 H126 Ag14 Cl2 -","- C288 H378 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0577","0.0435","","","0.1068","0.1185","","","","","","1.04","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117468","24.5343","0.0015","24.5343","0.0015","13.9815","0.0009","90","","90","","120","","7288.4","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Br N O3 -","- C96 H132 Ag14 Br N O3 -","- C288 H396 Ag42 Br3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.034","0.0324","","","0.0819","0.0839","","","","","","1.105","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117469","21.4318","0.0009","21.4318","0.0009","13.767","0.0006","90","","90","","120","","5476.3","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H84 Ag14 Cl N O3 -","- C60 H84 Ag14 Cl N O3 -","- C180 H252 Ag42 Cl3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0269","0.0259","","","0.0654","0.0662","","","","","","1.089","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117535","21.7073","0.0001","21.7073","0.0001","28.5686","0.0003","90","","90","","120","","11658.2","0.14","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H27 Ga10 N9 O3 S16 -","- C21 H27 Ga10 N9 O3 S16 -","- C126 H162 Ga60 N54 O18 S96 -","6","0.333333","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1097","0.0892","","","0.2905","0.3203","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117664","36.4998","0.0004","36.4998","0.0004","24.1865","0.0007","90","","90","","120","","27905.2","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H63 In2 Mn2 N3 O21 -","- C84 H38 In2 Mn2 N3 O21 -","- C756 H342 In18 Mn18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.074","0.066","","","0.2029","0.2078","","","","","","1.063","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117665","36.3966","0.0005","36.3966","0.0005","23.9655","0.0006","90","","90","","120","","27494.1","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H63 Co2 In2 N3 O21 -","- C81 H38 Co2 In2 N3 O21 -","- C729 H342 Co18 In18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1172","0.085","","","0.2504","0.27","","","","","","0.964","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117666","36.218","0.014","36.218","0.014","23.612","0.019","90","","90","","120","","26823","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H54 Cu2 In2 N0 O24 -","- C72 H38 Cu2 In2 O24 -","- C648 H342 Cu18 In18 O216 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1656","0.0921","","","0.2285","0.2574","","","","","","0.857","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117671","12.1214","0.0008","12.1214","0.0008","36.432","0.003","90","","90","","120","","4635.7","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","U(V) Ph Ket","","- C66 H84 Li N6 U -","- C66 H84 Li N6 U -","- C198 H252 Li3 N18 U3 -","3","0.166667","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0289","0.027","","","0.0524","0.0528","","","","","","1.071","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117930","25.5358","0.001","25.5358","0.001","60.059","0.005","90","","90","","120","","33916","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H108 Ni24 O126 S24 -","- C216 H96 Ni24 O126 S24 -","- C648 H288 Ni72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0786","0.0663","","","0.2154","0.2254","","","","","","1.019","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117931","25.7198","0.0007","25.7198","0.0007","60.934","0.003","90","","90","","120","","34908","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H156 Co24 O126 S24 -","- C216 H144 Co24 O126 S24 -","- C648 H432 Co72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0466","0.039","","","0.1146","0.1176","","","","","","1.139","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118038","29.434","0.001","29.434","0.001","22.407","0.001","90","","90","","120","","16811.7","1.1","205","2","205","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C204 H268 Ag6 F18 N24 O30 S12 -","- C203.94 H267.9 Ag6 F18 N24 O30 S12 -","- C611.82 H803.7 Ag18 F54 N72 O90 S36 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.1026","0.0505","","","0.1291","0.1497","","","","","","1.002","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118039","29.821","0.005","29.821","0.005","20.416","0.003","90","","90","","120","","15723","4","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C162 H196 Ag6 Cl24 N30 O18 S6 -","- C138 H144 Ag6 N30 O18 S6 -","- C414 H432 Ag18 N90 O54 S18 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.0889","0.0464","","","0.1067","0.1165","","","","","","1.001","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118535","39.2527","0.0014","39.2527","0.0014","106.905","0.007","90","","90","","120","","142649","12","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H298 K12 Nb96 O395 -","- K12.02 Nb96 O300 -","- K144.24 Nb1152 O3600 -","12","0.666667","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.132","0.056","","","0.0921","0.0999","","","","","","1.035","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118701","33.1098","0.0013","33.1098","0.0013","6.3799","0.0003","90","","90","","120","","6057","0.4","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C234 H360 O126 -","18","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.041","0.0355","","","0.0931","0.0976","","","","","","1.034","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118862","47.9783","0.0016","47.9783","0.0016","16.4921","0.0007","90","","90","","120","","32877","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C70 H104 N4 Si4 -","- C70 H104 N4 Si4 -","- C1260 H1872 N72 Si72 -","18","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.199","0.154","","","0.3991","0.416","","","","","","2.775","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118911","24.99","0.004","24.99","0.004","13.0478","0.0016","90","","90","","120","","7056.7","1.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H16 N9 O2.5 Zn -","- C9 H15 N9 O2.50333 Zn -","- C162 H270 N162 O45.06 Zn18 -","18","1","","Ping Cui; Yu-Guang Ma; Huan-Huan Li; Bin Zhao; Jian-Rong Li; Peng Cheng; Perla B. Balbuena; Hong-Cai Zhou","Multipoint Interactions Enhanced CO2 Uptake: A Zeolite-like Zinc-Tetrazole Framework with 24-Nuclear Zinc Cages","Journal of the American Chemical Society","2012","134","","18892","18895","10.1021/ja3063138","","","0.71073","MoKα","","0.07","0.0498","","","0.1499","0.1555","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118922","23.102","0.005","23.102","0.005","59.977","0.005","90","0.005","90","0.005","120","0.005","27721","9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C222 H168 N32 O67 Zn8 -","- C222 H168 N32 O67 Zn8 -","- C666 H504 N96 O201 Zn24 -","3","0.166667","","Susan Sen; Nisanth N. Nair; Teppei Yamada; Hiroshi Kitagawa; Parimal K. Bharadwaj","High Proton Conductivity by a Metal-Organic Framework Incorporating Zn8O Clusters with Aligned Imidazolium Groups Decorating the Channels","Journal of the American Chemical Society","2012","134","","19432","19437","10.1021/ja3076378","","","0.71069","MoKα","","0.1372","0.0846","","","0.2255","0.25","","","","","","0.885","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119075","14.534","","14.534","","9.986","","90","","90","","120","","1826.81","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zr6 B I12","","- B I12 Zr6 -","- B I12 Zr6 -","- B3 I36 Zr18 -","3","0.166667","","Smith, J.D.; Corbett, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","10.1021/ja00268a034","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119079","12.285","","12.285","","9.268","","90","","90","","120","","1211.34","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr6 (Ho Sc) (B O3)6","","- B6 Ho O18 Sc Sr6 -","- B6 Ho O18 Sc Sr6 -","- B18 Ho3 O54 Sc3 Sr18 -","3","0.166667","","Cox, J.R.; Douglas, A.K.; Alekel, T.; Schaffers, K.I.; Thompson, P.D.","New structural class of solid-state oxide","Journal of the American Chemical Society","1990","112","","7068","7069","10.1021/ja00175a056","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119195","8.4899","0.0006","8.4899","0.0006","18.144","0.002","90","","90","","120","","1132.58","0.17","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Au5 Mn Y3 -","- Au5 Mn Y3 -","- Au30 Mn6 Y18 -","6","0.333333","","Saroj L. Samal; Abhishek Pandey; David C. Johnston; John D. Corbett","Y3MnAu5: Three Distinctived-Metal Functions in an Intergrown Cluster Phase","Journal of the American Chemical Society","2013","135","","910","917","10.1021/ja3110208","","","0.71073","MoKα","","0.0352","0.031","","","0.0556","0.0589","","","","","","0.958","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119259","46.5979","0.0008","46.5979","0.0008","35.8791","0.0011","90","","90","","120","","67469","3","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C18 H616 Cl3 Cu9 K90 N9 O876 Se12 W174 -","- C3 Cl3 Cu9 K63.9 N3 O850.6 Se12 W174 -","- C9 Cl9 Cu27 K191.7 N9 O2551.8 Se36 W522 -","3","0.166667","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.0486","0.0322","","","0.0702","0.0725","","","","","","1.02","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4120514","19.4069","0.0005","19.4069","0.0005","47.9751","0.0017","90","","90","","120","","15648","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","CP3FeN2","","","- C37 H54 Fe N2 P3 -","- C37 H54 Fe N2 P3 -","- C666 H972 Fe18 N36 P54 -","18","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0655","0.0624","","","0.1624","0.1672","","","","","","1.106","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4121143","35.9492","0.0008","35.9492","0.0008","14.0374","0.0004","90","","90","","120","","15710.7","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C79 H76 F3 Fe2 N18 O3 S -","- C71 H64 F3 Fe2 N14 O3 S -","- C639 H576 F27 Fe18 N126 O27 S9 -","9","0.5","","Ie-Rang Jeon; Jesse G. Park; Dianne J. Xiao; T. David Harris","An Azophenine Radical-Bridged Fe2 Single-Molecule Magnet with Record Magnetic Exchange Coupling","Journal of the American Chemical Society","2013","135","","16845","16848","10.1021/ja409927v","","","1.54178","CuKα","","0.0799","0.0694","","","0.1869","0.1955","","","","","","1.08","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121642","16.0584","0.001","16.0584","0.001","19.8205","0.0013","90","","90","","120","","4426.4","0.5","446","2","446","2","","","","","","","","5","R -3 :H","-R 3","148","km26","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0199","0.0177","","","0.0407","0.0414","","","","","","1.058","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121643","16.0669","0.0008","16.0669","0.0008","19.8473","0.001","90","","90","","120","","4437.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km19","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0141","0.0139","","","0.0328","0.0329","","","","","","1.149","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121644","16.0352","0.0009","16.0352","0.0009","19.4744","0.0011","90","","90","","120","","4336.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km23","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0126","0.0123","","","0.0308","0.0309","","","","","","1.072","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121645","16.214","0.009","16.214","0.009","19.624","0.011","90","","90","","120","","4468","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km14","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0235","0.0198","","","0.047","0.0484","","","","","","1.112","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121646","16.0909","0.0008","16.0909","0.0008","19.4144","0.001","90","","90","","120","","4353.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km16","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0137","0.0135","","","0.0322","0.0325","","","","","","1.154","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121647","16.412","0.01","16.412","0.01","19.192","0.011","90","","90","","120","","4477","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","km12","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0179","0.0153","","","0.0363","0.0371","","","","","","1.091","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121648","16.2056","0.0015","16.2056","0.0015","19.9312","0.0018","90","","90","","120","","4533.1","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km21","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0248","0.021","","","0.0513","0.0531","","","","","","1.188","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121649","16.0838","0.001","16.0838","0.001","19.4499","0.0012","90","","90","","120","","4357.4","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","KM37","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0214","0.0201","","","0.0548","0.0556","","","","","","1.094","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121650","16.0538","0.0018","16.0538","0.0018","19.783","0.002","90","","90","","120","","4415.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km25","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0178","0.0162","","","0.0376","0.0382","","","","","","1.089","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121651","16.0584","0.0007","16.0584","0.0007","19.4547","0.0008","90","","90","","120","","4344.7","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km24","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0149","0.0142","","","0.034","0.0343","","","","","","1.074","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121652","16.0883","0.0006","16.0883","0.0006","19.8659","0.0007","90","","90","","120","","4453.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km20","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0216","0.0194","","","0.0428","0.0437","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121653","16.0508","0.0008","16.0508","0.0008","19.82","0.0011","90","","90","","120","","4422.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","KM38","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0294","0.0248","","","0.0586","0.0603","","","","","","1.075","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121784","40.715","0.002","40.715","0.002","80.041","0.008","90","","90","","120","","114908","14","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Ni24 O126 S24 -","- C336 H312 Ni24 O126 S24 -","- C2016 H1872 Ni144 O756 S144 -","6","0.333333","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.2099","0.1564","","","0.4164","0.4916","","","","","","1.032","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121899","22.989","0.003","22.989","0.003","15.763","0.003","90","","90","","120","","7214.6","1.9","258","2","258","2","","","","","","","","5","R -3 :H","-R 3","148","ZIF-7","ZIF-7","","- C14 H10 N4 O2.24 Zn -","- C14 H10 N4 O2.24 Zn -","- C252 H180 N72 O40.32 Zn18 -","18","1","","Cai, Wanxi; Lee, Taehee; Lee, Maro; Cho, Woosuk; Han, Doug-Young; Choi, Nakwon; Yip, Alex C. K.; Choi, Jungkyu","Thermal Structural Transitions and Carbon Dioxide Adsorption Properties of Zeolitic Imidazolate Framework-7 (ZIF-7).","Journal of the American Chemical Society","2014","136","22","7961","","10.1021/ja5016298","","","0.71073","MoKα","","0.1711","0.0707","","","0.1157","0.127","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4122294","30.6242","0.0005","30.6242","0.0005","20.9672","0.0005","90","","90","","120","","17029.4","0.6","100","2","99.99","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H102 F36 N18 P6 -","- C108 H102 F36 N18 P6 -","- C648 H612 F216 N108 P36 -","6","0.333333","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0518","0.0435","","","0.1253","0.1313","","","","","","1.062","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4122437","63.138","0.0003","63.138","0.0003","41.609","0.0003","90","","90","","120","","143648","1.4","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C1476 H756 B72 Br72 F288 N144 O72 Pd36 -","8","0.444444","","Bruns, Carson J.; Fujita, Daishi; Hoshino, Manabu; Sato, Sota; Stoddart, J. Fraser; Fujita, Makoto","Emergent Ion-Gated Binding of Cationic Host-Guest Complexes within Cationic M12L24 Molecular Flasks.","Journal of the American Chemical Society","2014","136","34","12027","","10.1021/ja505296e","","","0.75","synchrotron","","0.2598","0.2139","","","0.4951","0.5207","","","","","","1.976","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122443","25.8781","0.001","25.8781","","6.88197","0.00033","90","","90","","120","","3991.2","0.2","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D4.92 O3 -","- C4 H Co D4.912 O3 -","- C72 H18 Co18 D88.416 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.07748","","1.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122452","25.8707","0.001","25.8707","","6.8687","0.0004","90","","90","","120","","3981.3","0.3","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D1.59 O3 -","- C4 H Co D1.589 O3 -","- C72 H18 Co18 D28.602 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.08687","","1.16","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122459","64.496","0.014","64.496","0.014","22.031","0.005","90","","90","","120","","79365","3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H108 Ge9 Si12 Sn -","- C39 H108 Ge9 Si12 Sn -","- C1638 H4536 Ge378 Si504 Sn42 -","42","2.33333","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.2022","0.1028","","","0.242","0.2883","","","","","","0.949","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122544","19.262","0.004","19.262","0.004","27.055","0.006","90","","90","","120","","8693","3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C19 H17 N -","- C19 H15 N -","- C456 H360 N24 -","24","1.33333","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1904","0.1005","","","0.2498","0.2995","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122970","22.379","0.005","22.379","0.005","42.132","0.005","90","","90","","120","","18274","6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C162 H174 N78 O54 -","- C162 H162 N78 O54 -","- C486 H486 N234 O162 -","3","0.166667","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71073","MoKα","","0.1389","0.0849","","","0.1804","0.1936","","","","","","1.183","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122972","22.309","0.005","22.309","0.005","42.278","0.005","90","","90","","120","","18222","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C81 H75 Cs3 N36 O27 -","- C81 H69 Cs3 N36 O27 -","- C486 H414 Cs18 N216 O162 -","6","0.333333","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71069","MoKα","","0.1909","0.1267","","","0.2794","0.2962","","","","","","1.19","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123000","17.3709","0.0005","17.3709","0.0005","14.927","0.0004","90","","90","","120","","3900.75","0.19","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H72 Ni9 P8 Te6 -","- C24 H72 Ni9 P8 Te6 -","- C72 H216 Ni27 P24 Te18 -","3","0.166667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","","","0.71073","MoKα","","0.0639","0.0491","","0.1183","0.1007","0.1183","","","","","","1.8766","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123001","14.75719","0.00028","14.75719","0.00028","31.8543","0.00089","90","","90","","120","","6007.7","0.2","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","Nickel Telurium Trimethylphosphine C60 complex","","","- C84 H72 Ni9 P8 Te6 -","- C84 H72 Ni9 P8 Te6 -","- C252 H216 Ni27 P24 Te18 -","3","0.166667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","powder diffraction","","0.69991","","","","","","","","","","0.009","2.544","","","","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4123081","26.49","0.009","26.49","0.009","13.871","0.004","90","","90","","120","","8430","5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20.17 H21 Cl0.5 N4 P -","- C20.1667 H21 Cl0.5 N4 P -","- C363 H378 Cl9 N72 P18 -","18","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.1401","0.0875","","","0.2042","0.2347","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123583","20.889","0.0004","20.889","0.0004","25.8131","0.0009","90","","90","","120","","9754.5","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) heptachloride (hydrogen chloride) octadecahydrate","","- C27 H98.31 Au Cl8.67 N9 O18.32 P3 -","- C27 H66 Au Cl8.669 N9 O18.326 P3 -","- C162 H396 Au6 Cl52.014 N54 O109.956 P18 -","6","0.333333","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0391","0.0378","","","0.1033","0.1052","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123650","27.551","0.004","27.551","0.004","7.1879","0.0011","90","","90","","120","","4725.1","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Fe2(DSBDC)","","","- C7 H8 Fe N O3.25 S -","- C7 H8 Fe N O3.25167 S -","- C126 H144 Fe18 N18 O58.53 S18 -","18","1","","Sun, Lei; Hendon, Christopher H.; Minier, Mikael A.; Walsh, Aron; Dincă, Mircea","Million-Fold Electrical Conductivity Enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O).","Journal of the American Chemical Society","2015","137","19","6164","6167","10.1021/jacs.5b02897","","","0.71073","MoKα","","0.1402","0.0686","","","0.1881","0.2233","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123940","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","152855","2020-10-21","18:00:00",""
"4124876","35.95","0.006","35.95","","13.522","0.002","90","","90","","120","","15135","3","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C132 H210 Cl6 Mn19 N66 O54 -","- C132 H210 Cl6 Mn19 N66 O54 -","- C396 H630 Cl18 Mn57 N198 O162 -","3","0.166667","","Deng, Yong-Kai; Su, Hai-Feng; Xu, Jia-Heng; Wang, Wen-Guang; Kurmoo, Mohamedally; Lin, Shui-Chao; Tan, Yuan-Zhi; Jia, Jiong; Sun, Di; Zheng, Lan-Sun","Hierarchical Assembly of a {Mn(II)15Mn(III)4} Brucite Disc: Step-by-Step Formation and Ferrimagnetism.","Journal of the American Chemical Society","2016","138","4","1328","1334","10.1021/jacs.5b11736","","","0.71073","MoKα","","0.2127","0.0757","","","0.1656","0.2186","","","","","","0.984","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4125167","36.173","0.007","36.173","0.007","29.289","0.006","90","","90","","120","","33190","11","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C198 Cu24 N24 O168 -","- C198 Cu24 N24 O168 -","- C594 Cu72 N72 O504 -","3","0.166667","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1442","0.0857","","","0.1988","0.2186","","","","","","1.0203","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125210","34.115","0.002","34.115","0.002","15.1763","0.0009","90","","90","","120","","15296.3","1.6","100","0.5","100","0.5","","","","","","","","5","R -3 :H","-R 3","148","eishl03","","","- C60 H96 Fe2 N2 S8 -","- C60 H96 Fe2 N2 S8 -","- C540 H864 Fe18 N18 S72 -","9","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.1164","0.0588","","","0.146","0.1829","","","","","","1.01","","","","has coordinates,has disorder","187900","2020-10-21","18:00:00",""
"4125264","36.1165","0.0004","36.1165","0.0004","45.7915","0.0005","90","","90","","120","","51728.1","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C1944 H3024 F36 N180 O72 -","36","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.1558","0.0971","","0.128","0.0863","0.0863","","","","","","1.148","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125419","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Piou, Tiffany; Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Jackson, Kelvin E.; Semakul, Natthawat; Taggart, Trevor D.; Newell, Brian S.; Rithner, Christopher D.; Paton, Robert S.; Rovis, Tomislav","Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","3","1296","1310","10.1021/jacs.6b11670","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","193520","2020-10-21","18:00:00",""
"4125647","25.0005","0.001","25.0005","0.001","48.793","0.002","90","","90","","120","","26411","1.8","101","2","101","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C148 H160 Cl12 -","- C148 H160 Cl12 -","- C888 H960 Cl72 -","6","0.333333","","Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.","Impact of Shape Persistence on the Porosity of Molecular Cages.","Journal of the American Chemical Society","2017","139","8","3259","3264","10.1021/jacs.7b00189","","","1.54178","CuKα","","0.0744","0.0698","","","0.1925","0.1956","","","","","","1.131","","","","has coordinates,has disorder","193044","2020-10-21","18:00:00",""
"4125736","34.402","0.008","34.402","0.008","18.748","0.004","90","","90","","120","","19216","8","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H108 N6 O18 -","- C120 H96 N6 O18 -","- C720 H576 N36 O108 -","6","0.333333","","Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai","Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines.","Journal of the American Chemical Society","2017","139","4","1636","1644","10.1021/jacs.6b11789","","","0.71073","MoKα","","0.148","0.0713","","","0.1893","0.2245","","","","","","0.953","","","","has coordinates,has disorder","193115","2020-10-21","18:00:00",""
"4125849","65.243","0.01","65.243","0.01","10.2551","0.0017","90","","90","","120","","37804","10","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C306 H144 Mg6 O72 S36 -","- C306 H144 Mg6 O72 S36 -","- C918 H432 Mg18 O216 S108 -","3","0.166667","","Park, Sarah S.; Hendon, Christopher H.; Fielding, Alistair J.; Walsh, Aron; O'Keeffe, Michael; Dincă, Mircea","The Organic Secondary Building Unit: Strong Intermolecular π Interactions Define Topology in MIT-25, a Mesoporous MOF with Proton-Replete Channels.","Journal of the American Chemical Society","2017","139","10","3619","3622","10.1021/jacs.6b13176","","","0.71073","MoKα","","0.1062","0.0904","","","0.2428","0.2519","","","","","","1.132","","","","has coordinates,has disorder","194829","2020-10-21","18:00:00",""
"4126197","14.0349","0.0013","14.0349","0.0013","15.639","0.0015","90","","90","","120","","2667.8","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H36 B2 Cu N6 O6 S6 -","- C18 H36 B2 Cu N6 O6 S6 -","- C54 H108 B6 Cu3 N18 O18 S18 -","3","0.166667","","Wong, Y. T. Angel; Landmann, Johannes; Finze, Maik; Bryce, David L.","Dynamic Disorder and Electronic Structures of Electron-Precise Dianionic Diboranes: Insights from Solid-State Multinuclear Magnetic Resonance Spectroscopy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01783","","","0.71073","MoKα","","0.0916","0.0605","","","0.1189","0.133","","","","","","1.047","","","","has coordinates,has disorder","197623","2020-10-21","18:00:00",""
"4126267","80.9755","0.0012","80.9755","0.0012","30.813","0.0007","90","","90","","120","","174973","5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C243 H157.5 F48 Fe4 N31.5 O28 P S14 -","- C233.602 H157.5 F19.806 Fe4 N26.801 O9.204 P S4.602 -","- C4204.84 H2835 F356.508 Fe72 N482.418 O165.672 P18 S82.836 -","18","1","","Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.","Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.","Journal of the American Chemical Society","2017","139","28","9698","9707","10.1021/jacs.7b05202","","","0.6889","Synchrotron","","0.1851","0.1574","","","0.3924","0.4215","","","","","","1.382","","","","has coordinates,has disorder","199574","2020-10-21","18:00:00",""
"4126355","27.279","0.0008","27.279","0.0008","84.656","0.005","90","","90","","120","","54556","4","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C408 H384 Cl18 N72 Nd8 O120 -","- C408 H384 Cl18 N72 Nd8 O120 -","- C1224 H1152 Cl54 N216 Nd24 O360 -","3","0.166667","","Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu","Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes.","Journal of the American Chemical Society","2017","139","24","8237","8244","10.1021/jacs.7b02764","","x-ray","1.54184","CuKα","","0.2032","0.114","","","0.3177","0.4103","","","","","","0.97","","","","has coordinates","200234","2020-10-21","18:00:00",""
"4126393","24.2966","0.0002","24.2966","0.0002","18.34987","0.00019","90","","90","","120","","9381.12","0.15","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 Cl2 Cu2 N10 O10 -","- C36 H36 Cl1.9988 Cu2 N10 O9.9952 -","- C324 H324 Cl17.9892 Cu18 N90 O89.9568 -","9","0.5","","Wijeratne, Gayan B.; Hematian, Shabnam; Siegler, Maxime A.; Karlin, Kenneth D.","Copper(I)/NO(g) Reductive Coupling Producing a trans-Hyponitrite Bridged Dicopper(II) Complex: Redox Reversal Giving Copper(I)/NO(g) Disproportionation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07808","","","1.54178","CuKα","","0.0401","0.0379","","","0.1127","0.1154","","","","","","1.037","","","","has coordinates,has disorder","200846","2020-10-21","18:00:00",""
"4126433","37.4644","0.0007","37.4644","0.0007","14.7323","0.0003","90","","90","","120","","17907.7","0.6","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44.48 H57.96 N4 Ni2 -","- C44.4815 H57.9556 N4 Ni2 -","- C800.667 H1043.2 N72 Ni36 -","18","1","","Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Catalytic Carbonylative Rearrangement of Norbornadiene via Dinuclear Carbon-Carbon Oxidative Addition.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08691","","","1.54178","CuKα","","0.0538","0.0445","","","0.1132","0.1196","","","","","","1.046","","","","has coordinates,has disorder","201120","2020-10-21","18:00:00",""
"4126441","35.846","0.004","35.846","0.004","13.5509","0.0017","90","","90","","120","","15079","3","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C132 H210 Cd6 Cl6 Mn13 N66 O54 -","- C132 H210 Cd6 Cl6 Mn13 N66 O54 -","- C396 H630 Cd18 Cl18 Mn39 N198 O162 -","3","0.166667","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Core-Shell {Mn7⊆(Mn,Cd)12} Assembled from Core {Mn7} Disc.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08679","","","0.71073","MoKα","","0.1078","0.0542","","","0.1262","0.1433","","","","","","0.894","","","","has coordinates","201124","2020-10-21","18:00:00",""
"4126562","30.5024","0.0001","30.5024","0.0001","35.1637","0.0002","90","","90","","120","","28333","0.2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C94.33 H48 Cl2 -","- C94.3323 H48 Cl1.998 -","- C1697.98 H864 Cl35.964 -","18","1","","Hosokawa, Tomoka; Takahashi, Yusuke; Matsushima, Tomoya; Watanabe, Soichiro; Kikkawa, Shoko; Azumaya, Isao; Tsurusaki, Akihiro; Kamikawa, Ken","Synthesis, Structures, and Properties of Hexapole Helicenes: Assembling Six [5]Helicene Substructures into Highly Twisted Aromatic Systems.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07113","","","1.54184","CuKα","","0.0925","0.0919","","","0.2636","0.2641","","","","","","1.028","","","","has coordinates,has disorder","201783","2020-10-21","18:00:00",""
"4126675","21.2461","0.0011","21.2461","0.0011","52.718","0.005","90","","90","","120","","20609","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Gd20","","","- C170 H102 Cl30 Gd20 N36 O101 -","- C170 H102 Cl30 Gd20 N36 O101 -","- C510 H306 Cl90 Gd60 N108 O303 -","3","0.166667","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0469","0.0363","","","0.113","0.1198","","","","","","1.077","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4128551","34.623","0.014","34.623","0.014","15.731","0.004","90","","90","","120","","16331","10","110","","110","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C176 H212 Au25 N55 S18 -","- C176.002 H144 Au25 N55 S18 -","- C528.005 H432 Au75 N165 S54 -","3","0.166667","","Gunawardene, Praveen N.; Corrigan, John F.; Workentin, Mark S.","Golden Opportunity: A Clickable Azide-Functionalized [Au<sub>25</sub>(SR)<sub>18</sub>]<sup>-</sup> Nanocluster Platform for Interfacial Surface Modifications.","Journal of the American Chemical Society","2019","141","30","11781","11785","10.1021/jacs.9b05182","","","0.71073","MoKα","","0.0859","0.0515","","","0.1266","0.1592","","","","","","1.145","","","","has coordinates,has disorder","221631","2020-10-21","18:00:00",""
"4128893","44.713","0.003","44.713","0.003","47.217","0.005","90","","90","","120","","81752","12","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C80 H183 Mo2 N5 O60 Te W16 -","- C23.175 Mo1.9998 N2.475 O60 Te W16.0002 -","- C556.2 Mo47.9952 N59.4 O1440 Te24 W384.005 -","24","1.33333","","Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy","Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates.","Journal of the American Chemical Society","2019","141","34","13479","13486","10.1021/jacs.9b04533","","","0.71073","MoKα","","0.143","0.0772","","","0.2088","0.2747","","","","","","1.075","","","","has coordinates","221928","2020-10-21","18:00:00",""
"4129153","70.029","0.005","70.029","0.005","9.1062","0.0007","90","","90","","120","","38674","5","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H63 F36 N9 P6 -","- C72 H63 F36 N9 P6 -","- C1296 H1134 F648 N162 P108 -","18","1","","Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser","Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b07877","","","1.54178","CuKα","","0.2232","0.1402","","","0.3522","0.413","","","","","","1.18","","","","has coordinates,has disorder","227900","2020-10-21","18:00:00",""
"4129696","27.989","0.003","27.989","0.003","8.8181","0.0018","90","","90","","120","","5982.5","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H22 Fe N12 O4 -","- C22 H22 Fe N12 O4 -","- C198 H198 Fe9 N108 O36 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0741","0.0589","","","0.1608","0.1721","","","","","","1.042","","","","has coordinates","240365","2020-10-21","18:00:00",""
"4129697","27.897","0.004","27.897","0.004","8.6691","0.0017","90","","90","","120","","5842.8","1.6","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 Fe N12 -","- C22 H14 Fe N12 -","- C198 H126 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0397","0.0376","","","0.1052","0.1073","","","","","","1.092","","","","has coordinates","240366","2020-10-21","18:00:00",""
"4129698","28.873","0.004","28.873","0.004","9.3425","0.0019","90","","90","","120","","6744.9","1.9","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 Fe N12 -","- C30 H22 Fe N12 -","- C270 H198 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.1008","0.0867","","","0.2315","0.2463","","","","","","1.111","","","","has coordinates","240367","2020-10-21","18:00:00",""
"4129699","28.622","0.004","28.622","0.004","9.2243","0.0018","90","","90","","120","","6544.3","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H14 Fe N12 O10 -","- C27 H14 Fe N12 O10 -","- C243 H126 Fe9 N108 O90 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0901","0.0811","","","0.2191","0.2297","","","","","","1.057","","","","has coordinates","240368","2020-10-21","18:00:00",""
"4129727","66.845","0.004","66.845","0.004","36.369","0.003","90","","90","","120","","140734","17","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C270 H174 B F46 N33 O28 S14 Zn4 -","- C259.5 H174 B F14.5 N27.75 O7 S3.5 Zn4 -","- C4671 H3132 B18 F261 N499.5 O126 S63 Zn72 -","18","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","0.6889","synchrotron","","0.1758","0.1335","","","0.3482","0.3801","","","","","","1.221","","","","has coordinates,has disorder","240395","2020-10-21","18:00:00",""
"4129891","15.8189","0.0007","15.8189","0.0007","16.2473","0.0007","90","","90","","120","","3521","0.3","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H40 Th -","- C27 H40 Th -","- C162 H240 Th6 -","6","0.333333","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0176","0.0142","","","0.0304","0.0316","","","","","","1.079","","","","has coordinates,has disorder","240539","2020-10-21","18:00:00",""
"4129975","18.473","0.003","18.473","0.003","52.11","0.01","90","","90","","120","","15400","5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H74 Cu2 N6 O19 -","- C32 H22 Cu2 O10 -","- C288 H198 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.71073","MoKα","","0.192","0.1082","","","0.2618","0.2815","","","","","","1.085","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4129976","18.3194","0.0005","18.3194","0.0005","65.6209","0.0019","90","","90","","120","","19072","0.9","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61 H91 Cu2 N7 O21 -","- C40 H30 Cu2 O10 -","- C360 H270 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.6889","synchrotron","","0.15","0.144","","","0.406","0.42","","","","","","1.95","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4130442","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Messina, Marco S.; Axtell, Jonathan C.; Wang, Yiqun; Chong, Paul; Wixtrom, Alex I.; Kirlikovali, Kent O.; Upton, Brianna M.; Hunter, Bryan M.; Shafaat, Oliver S.; Khan, Saeed I.; Winkler, Jay R.; Gray, Harry B.; Alexandrova, Anastassia N.; Maynard, Heather D.; Spokoyny, Alexander M.","Visible-Light-Induced Olefin Activation Using 3D Aromatic Boron-Rich Cluster Photooxidants.","Journal of the American Chemical Society","2016","138","22","6952","6955","10.1021/jacs.6b03568","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","240875","2020-10-21","18:00:00",""
"4130519","11.1793","0.0002","11.1793","0.0002","16.6946","0.0008","90","","90","","120","","1806.91","0.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H18 F12 Mg N6 P2 -","- C12 H18 F12 Mg N6 P2 -","- C36 H54 F36 Mg3 N18 P6 -","3","0.166667","","Keyzer, Evan N.; Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Dutton, Siân E; Grey, Clare P.; Wright, Dominic S.","Mg(PF6)2-Based Electrolyte Systems: Understanding Electrolyte-Electrode Interactions for the Development of Mg-Ion Batteries.","Journal of the American Chemical Society","2016","138","28","8682","8685","10.1021/jacs.6b04319","","","1.54178","CuKα","","0.0426","0.0354","","","0.0831","0.0874","","","","","","1.105","","","","has coordinates","240926","2020-10-21","18:00:00",""
"4130786","26.1142","0.0013","26.1142","0.0013","110.422","0.006","90","","90","","120","","65214","6","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C330 H165 Cl8 Fe4 N51 O32 -","- C329.994 H165 Cl5.7 Fe4 N51 O22.8 -","- C1979.96 H990 Cl34.2 Fe24 N306 O136.8 -","6","0.333333","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1701","0.1274","","","0.3501","0.3749","","","","","","1.227","","","","has coordinates,has disorder","241155","2020-10-21","18:00:00",""
"4130891","37.7343","0.0015","37.7343","0.0015","25.323","0.003","90","","90","","120","","31226","4","122","2","122","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C71 H106 Ge N2 Si2 -","- C71 H106 Ge N2 Si2 -","- C1278 H1908 Ge18 N36 Si36 -","18","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0814","0.0526","","","0.118","0.1275","","","","","","1.078","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4131009","32.9726","0.001","32.9726","0.001","10.6792","0.0003","90","","90","","120","","10054.9","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H37 Br O4 -","- C50 H37 Br O4 -","- C450 H333 Br9 O36 -","9","0.5","","Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus","Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene.","Journal of the American Chemical Society","2016","138","39","12783","12786","10.1021/jacs.6b08664","","","0.71073","MoKα","","0.1359","0.0932","","","0.2454","0.267","","","","","","1.525","","","","has coordinates,has disorder","241330","2020-10-21","18:00:00",""
"4131182","29.333","0.0012","29.333","0.0012","23.124","0.001","90","","90","","120","","17230.8","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C76 H118 N8 O P2 V2 -","- C76 H118 N8 O P1.9998 V2 -","- C684 H1062 N72 O9 P17.9982 V18 -","9","0.5","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0644","0.0555","","","0.1411","0.1493","","","","","","1.02","","","","has coordinates,has disorder","241458","2020-10-21","18:00:00",""
"4131435","7.8083","0.0011","7.8083","0.0011","37.905","0.008","90","","90","","120","","2001.4","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs4 P4 Se12 Sn -","- Cs4 P3.96 Se11.988 Sn -","- Cs12 P11.88 Se35.964 Sn3 -","3","0.166667","","Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.","Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.","Journal of the American Chemical Society","2017","139","31","10814","10821","10.1021/jacs.7b05423","","","0.71073","MoKα","","0.093","0.0566","","","0.1085","0.1241","","","","","","1.054","","","","has coordinates","241635","2020-10-21","18:00:00",""
"4131823","33.0793","0.0005","33.0793","0.0005","34.2247","0.0008","90","","90","","120","","32432.7","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C342 H334 Cl16 Co8 N72 O29 -","- C342 H288 Cl13.9998 Co8 N72 O28.9994 -","- C1026 H864 Cl41.9994 Co24 N216 O86.9982 -","3","0.166667","","Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.","Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.","Journal of the American Chemical Society","2018","140","8","2821","2828","10.1021/jacs.7b11334","","","0.71073","MoKα","","0.159","0.1299","","","0.3901","0.4097","","","","","","1.622","","","","has coordinates,has disorder","241958","2020-10-21","18:00:00",""
"4132321","23.4971","0.0007","23.4971","0.0007","10.1419","0.0004","90","","90","","120","","4849.3","0.3","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H14 O -","- C13 H14 O -","- C234 H252 O18 -","18","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0542","0.0447","","","0.1012","0.1061","","","","","","1.057","","","","has coordinates","242307","2020-10-21","18:00:00",""
"4132643","33.494","0.003","33.494","0.003","17.224","0.0017","90","","90","","120","","16734","3","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H252 F12 N36 P2 -","- C264 H252 F12.0012 N36 P2.0002 -","- C792 H756 F36.0036 N108 P6.0006 -","3","0.166667","","Liu, Zhichang; Frasconi, Marco; Liu, Wei-Guang; Zhang, Yu; Dyar, Scott M.; Shen, Dengke; Sarjeant, Amy A.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mixed-Valence Superstructure Assembled from a Mixed-Valence Host-Guest Complex.","Journal of the American Chemical Society","2018","140","30","9387","9391","10.1021/jacs.8b05322","","","1.54178","CuKα","","0.06","0.0534","","","0.1722","0.1809","","","","","","1.096","","","","has coordinates,has disorder","242590","2020-10-21","18:00:00",""
"4132797","32.768","0.007","32.768","0.007","7.461","0.0017","90","","90","","120","","6938","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C342 H378 N18 O36 -","18","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.078","0.0617","","","0.1649","0.1765","","","","","","1.067","","","","has coordinates","242697","2020-10-21","18:00:00",""
"4132977","27.062","0.002","27.062","0.002","10.3516","0.0011","90","","90","","120","","6565.4","1","90","","90","","","","","","","","","4","R -3 :H","-R 3","148","","(Cy)(Me)N(C=O)N(H)(quinolin-8-yl)","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C306 H378 N54 O18 -","18","1","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","","0.71073","MoKα","","0.045","0.0355","","","0.0867","0.0901","","","","","","1.043","","","","has coordinates","242829","2020-10-21","18:00:00",""
"4133187","25.81","0.0012","25.81","0.0014","26.8358","0.0011","90","","90","","120","","15481.8","1.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H103.6 Cl1.6 N2 O19.8 S2 V6 -","- C44 H92.248 N2 O19 S2 V6 -","- C396 H830.232 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0809","0.058","","","0.15","0.17","","","","","","1.039","","","","has coordinates,has disorder","243023","2020-10-21","18:00:00",""
"4133189","25.7726","0.0011","25.7726","0.0011","26.9789","0.0012","90","","90","","120","","15519.3","1.2","100","2","100.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H102 Cl4 N2 O19 S2 V6 -","- C45.138 H91.482 N2 O19 S2 V6 -","- C406.242 H823.338 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0706","0.0552","","","0.151","0.1644","","","","","","1.048","","","","has coordinates,has disorder","243025","2020-10-21","18:00:00",""
"4133716","36.225","0.005","36.225","0.005","34.334","0.005","90","","90","","120","","39019","10","100","","100","","","","","","","","see text","6","R -3 :H","-R 3","148","","","","- C62 H86 N3 O3 P Si2 -","- C62 H86 N3 O3 P Si2 -","- C1116 H1548 N54 O54 P18 Si36 -","18","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.135","0.0813","","","0.2419","0.2755","","","","","","1.041","","","","has coordinates,has disorder","243428","2020-10-21","18:00:00",""
"4133724","25.8095","0.0009","25.8095","0.0009","6.8241","0.0003","90","","90","","120","","3936.7","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(1-butene)1.59","","","- C14.36 H14.71 Co2 O6 -","- C14.36 H14.72 Co2 O6 -","- C129.24 H132.48 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0465","0.0438","","","0.1235","0.1253","","","","","","1.074","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4133725","25.892","0.004","25.892","0.004","6.848","0.0014","90","","90","","120","","3975.8","1.2","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(cis-2-butene)1.6","","","- C14.31 H14.61 Co2 O6 -","- C14.408 H14.816 Co2 O6 -","- C129.672 H133.344 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7288","synchrotron","","0.0671","0.0504","","","0.1096","0.1181","","","","","","1.051","","","","has coordinates,has disorder","243433","2020-10-21","18:00:00",""
"4133726","25.813","0.0011","25.813","0.0011","6.8924","0.0003","90","","90","","120","","3977.2","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Co2(dobdc)(trans-2-butene)1.48","","","- C13.93 H13.86 Co2 O6 -","- C13.928 H13.856 Co2 O6 -","- C125.352 H124.704 Co18 O54 -","9","0.5","","Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R.","Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites.","Journal of the American Chemical Society","2019","141","45","18325","18333","10.1021/jacs.9b09942","","","0.7749","synchrotron","","0.0551","0.0455","","","0.1188","0.1236","","","","","","1.052","","","","has coordinates","243433","2020-10-21","18:00:00",""
"4134238","31.023","0.007","31.023","0.007","7.2503","0.0014","90","","90","","120","","6043","2","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H17 N -","- C18 H17 N -","- C324 H306 N18 -","18","1","","Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.","Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13599","","","0.71073","MoKα","","0.0864","0.0524","","","0.1272","0.1443","","","","","","0.952","","","","has coordinates","248437","2020-10-21","18:00:00",""
"4134336","10.7907","0.0007","10.7907","0.0007","10.5055","0.0007","90","","90","","120","","1059.37","0.12","100","","100","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0295","0.0175","","","0.0314","0.0344","","","","","","1.062","","","","has coordinates","248862","2020-10-21","18:00:00",""
"4134337","10.8202","0.0006","10.8202","0.0006","10.5416","0.0006","90","","90","","120","","1068.83","0.1","290","","290","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ir2 K3 O6 -","- Ir2 K3 O6 -","- Ir12 K18 O36 -","6","0.333333","","Guo, Shu; Zhong, Ruidan; Wang, Wei; Tao, Jing; Ni, Danrui; Cava, Robert J.","K<sub>3</sub>Ir<sub>2</sub>O<sub>6</sub> and K<sub>16.3</sub>Ir<sub>8</sub>O<sub>30</sub>, Low dimensional Iridates with Infinite IrO<sub>6</sub> Chains.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00849","","x-ray","0.71073","MoKα","","0.0423","0.0195","","","0.0357","0.041","","","","","","1.083","","","","has coordinates","248863","2020-10-21","18:00:00",""
"4134357","14.7276","0.0006","14.7276","0.0006","34.9107","0.0017","90","","90","","120","","6557.7","0.5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","17066-NiScL3","","","- C39 H63 N3 Ni P3 Sc -","- C39 H63 N3 Ni P3 Sc -","- C234 H378 N18 Ni6 P18 Sc6 -","6","0.333333","","Ramirez, Bianca L.; Lu, Connie C.","Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00905","","","0.71073","MoKα","","0.0493","0.0348","","","0.0794","0.086","","","","","","1.017","","","","has coordinates","249144","2020-10-21","18:00:00",""
"4134375","12.723","0.003","12.723","0.003","25.81","0.007","90","","90","","120","","3618.2","1.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H50 Cu6 N6 O34.47 S8 -","- C12 H50 Cu6 N6 O34.474 S8 -","- C36 H150 Cu18 N18 O103.422 S24 -","3","0.166667","","Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J.","Synthesis of the Elusive <i>S</i> = <sup>1</sup>/<sub>2</sub> Star Structure: A Possible Quantum Spin Liquid Candidate.","Journal of the American Chemical Society","2020","142","11","5013","5016","10.1021/jacs.0c00901","","","0.71073","MoKα","","0.0288","0.0258","","","0.0686","0.0699","","","","","","1.223","","","","has coordinates,has disorder","250070","2020-10-21","18:00:00",""
"4134521","25.6664","0.0006","25.6664","0.0006","24.6267","0.0009","90","","90","","120","","14049.7","0.7","100","0.11","100","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C210 H162 Cl6 Cu24 O72 -","- C210 H162 Cl6 Cu24 O72 -","- C630 H486 Cl18 Cu72 O216 -","3","0.166667","","Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan","Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C<sub>60</sub>@Cu<sub>24</sub> Rhombicuboctahedron.","Journal of the American Chemical Society","2020","142","13","5943","5947","10.1021/jacs.0c00090","","x-ray","1.54184","CuKα","","0.0598","0.0547","","","0.1495","0.1539","","","","","","1.07","","","","has coordinates,has disorder","250066","2020-10-21","18:00:00",""
"4134570","30.4981","0.0011","30.4981","0.0011","11.5146","0.0004","90","","90","","120","","9275.2","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.67 H26.67 Cu4 I4 N6 O0.67 P2 -","- C30.6666 H26.6664 Cu4 I4 N6 O0.6666 P2 -","- C275.999 H239.998 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.0727","0.0392","","","0.0866","0.1128","","","","","","1.057","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134571","30.0438","0.0012","30.0438","0.0012","11.4013","0.0005","90","","90","","120","","8912.4","0.6","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C31.33 H28 Cu4 I4 N6 O0.67 P2 -","- C31.3332 H27.9996 Cu4 I4 N6 O0.6666 P2 -","- C281.999 H251.996 Cu36 I36 N54 O5.9994 P18 -","9","0.5","","Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping","Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00368","","","0.71073","MoKα","","0.1423","0.1032","","","0.2967","0.3437","","","","","","1.118","","","","has coordinates,has disorder","249792","2020-10-21","18:00:00",""
"4134686","34.417","0.003","34.417","0.003","26.544","0.002","90","","90","","120","","27230","4","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H420 Mg24 O138 -","- C300 H330 Mg24 O138 -","- C900 H990 Mg72 O414 -","3","0.166667","","Shao, Li; Hua, Bin; Hu, Xiangquan; Stalla, David; Kelley, Steven P.; Atwood, Jerry L.","Construction of Polymeric Metal-Organic Nanocapsule Networks via Supramolecular Coordination-Driven Self-Assembly.","Journal of the American Chemical Society","2020","142","16","7270","7275","10.1021/jacs.0c00640","","","0.71073","MoKα","","0.1325","0.081","","","0.2118","0.2488","","","","","","1.023","","","","has coordinates,has disorder","251458","2020-10-21","18:00:00",""
"4134830","20.6422","0.0009","20.6422","0.0009","19.1449","0.0009","90","","90","","120","","7064.7","0.5","173.15","","173.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H79 Cr3 Si3 -","- C42 H79 Cr3 Si3 -","- C252 H474 Cr18 Si18 -","6","0.333333","","Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin","Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02939","","","0.71073","MoKα","","0.0719","0.0564","","","0.1639","0.1819","","","","","","1.048","","","","has coordinates","251279","2020-10-21","18:00:00",""
"4134972","12.8696","0.0002","12.8696","0.0002","27.1408","0.0006","90","","90","","120","","3892.99","0.12","123.15","","123.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H5 Al0.333 F5 O0.333 P0.333 -","- C8 H5 Al0.333333 F5 O0.333333 P0.333333 -","- C144 H90 Al6 F90 O6 P6 -","18","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0778","0.0783","","","","","","1.0423","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4135243","41.31","0.0019","41.31","0.0019","11.032","0.003","90","","90","","120","","16304","5","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H45 B N7 O2 P W -","- C28 H45 B N7 O2 P W -","- C504 H810 B18 N126 O36 P18 W18 -","18","1","","Smith, Jacob A.; Schouten, Anna; Wilde, Justin H.; Westendorff, Karl S.; Dickie, Diane A.; Ess, Daniel H.; Harman, W. Dean","Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c08032","","","0.71073","MoKα","","0.0811","0.0472","","","0.0867","0.0962","","","","","","1.008","","","","has coordinates,has disorder","256359","2020-10-21","18:00:00",""
"4135489","23.9775","0.0001","23.9775","0.0001","70.6392","0.0003","90","","90","","120","","35171","0.3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C221 H204.5 Ag12 B4 F16 N46.5 O22.5 S4 -","- C220.999 H179.001 Ag12 B3.9999 F15.9996 N46.4995 O22.5001 S4 -","- C1326 H1074.01 Ag72 B23.9994 F95.9976 N278.997 O135.001 S24 -","6","0.333333","","McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.","Selective Anion Binding Drives the Formation of AgI8L6 and AgI12L6 Six-Stranded Helicates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11905","","","0.6889","","","0.0608","0.0474","","","0.1646","0.1703","","","","","","1.071","","","","has coordinates,has disorder","260330","2021-01-01","00:31:51",""
"4135527","34.991","0.003","34.991","0.003","12.8827","0.001","90","","90","","120","","13660","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H25 B F9 N -","- C34 H25 B F9 N -","- C612 H450 B18 F162 N18 -","18","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0779","0.0528","","","0.1252","0.1418","","","","","","1.04","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4300050","14.645","0.001","14.645","0.001","25.53","0.004","90","","90","","120","","4742","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H50 N8 O4 -","- C30 H48 N8 O3.99 -","- C180 H288 N48 O23.94 -","6","0.333333","","Françoise Arnaud-Neu; Saowarux Fuangswasdi; Beatrice Maubert; Jane Nelson; Vickie McKee","Binding Properties of Octaaminocryptands","Inorganic Chemistry","2000","39","","573","579","10.1021/ic9905704","","","0.71073","MoKα","","0.0471","0.0371","","0.0947","0.0884","","","","1.05","1.073","1.073","","","","","has coordinates","179038","2020-10-21","18:00:00",""
"4300234","14.423","0.0016","14.423","0.0016","50.468","0.008","90","","90","","120","","9092","2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C106.6 H163.2 Cl17.2 Na6 O6 -","- C106.58 H158 Cl17.18 Na6 O6 -","- C319.74 H474 Cl51.54 Na18 O18 -","3","0.166667","","Maarten B. Dinger; Michael J. Scott","Alkali Salts of C3-Symmetric, Linked Aryloxides: Selective Binding of Substrates with Metal Aggregates","Inorganic Chemistry","2000","39","","1238","1254","10.1021/ic991309q","","","0.71073","MoKα","","0.0755","0.0681","","","0.182","0.1928","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4300241","24.1127","0.0012","24.1127","0.0012","37.981","0.002","90","","90","","120","","19124.4","1.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C134 H206 Na6 O12 -","- C134 H206 Na6 O12 -","- C804 H1236 Na36 O72 -","6","0.333333","","Maarten B. Dinger; Michael J. Scott","Alkali Salts of C3-Symmetric, Linked Aryloxides: Selective Binding of Substrates with Metal Aggregates","Inorganic Chemistry","2000","39","","1238","1254","10.1021/ic991309q","","","0.71073","MoKα","","0.0795","0.0552","","","0.1469","0.166","","","","","","1.02","","","","has coordinates","179040","2020-10-21","18:00:00",""
"4300425","8.0335","0.0003","8.0335","0.0003","14.5718","0.0005","90","","90","","120","","814.43","0.05","293","2","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Na2 Nb20 O36 Sc4 -","- Na1.98 Nb19.962 O36 Sc4.038 -","- Na1.98 Nb19.962 O36 Sc4.038 -","1","0.0555556","","Farrugia, Louis J.","","Inorganic Chemistry","2006","","","","","10.1021/ic0512678","","","","","","","","","","","","","","","","","","","","","has coordinates","179042","2020-10-21","18:00:00",""
"4300704","20.8335","0.0011","20.8335","0.0011","42.762","0.003","90","","90","","120","","16073.5","1.6","193","2","193","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C162 H234 Cl11 F6 Hg6 N18 P S18 -","- C162 H234 Cl11 F6 Hg6 N18 P S18 -","- C486 H702 Cl33 F18 Hg18 N54 P3 S54 -","3","0.166667","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051875n","","","","","","","","","","","","","","","","","","","","","has coordinates","179045","2020-10-21","18:00:00",""
"4301578","11.5137","0.0002","11.5137","0.0002","39.3998","0.0015","90","","90","","120","","4523.3","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H54 N2 P4 Ru -","- C24 H54 N2 P4 Ru -","- C144 H324 N12 P24 Ru6 -","6","0.333333","","Leslie D. Field; Ruth W. Guest; Khuong Q. Vuong; Scott J. Dalgarno; Paul Jensen","Iron(0) and Ruthenium(0) Complexes of Dinitrogen","Inorganic Chemistry","2009","48","","2246","2253","10.1021/ic8019827","","","0.71073","MoKα","","0.0303","0.0241","","","0.0587","0.0613","","","","","","1.006","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301829","15.738","0.002","15.738","0.002","25.227","0.007","90","","90","","120","","5411.2","1.8","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","Lithium 1,2-dimethoxyethane Uranium(IV) hexakis(pentafluorophenoxide)","","- C60 H60 F30 Li2 O18 U -","- C60 H60 F30 Li2 O18 U -","- C180 H180 F90 Li6 O54 U3 -","3","0.166667","","Skye Fortier; Guang Wu; Trevor W. Hayton","Synthesis and Redox Chemistry of High-Valent Uranium Aryloxides","Inorganic Chemistry","2009","48","","3000","3011","10.1021/ic802266y","","","0.71073","MoKα","","0.0471","0.0367","","","0.0716","0.0745","","","","","","0.914","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301922","14.8631","0.0007","14.8631","0.0007","36.46","0.003","90","","90","","120","","6975.4","0.7","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","[Fe(II)7(Hbmsae)6(OMe)6]Cl2.6H2O (6)","","","- C66 H96 Br6 Cl2 Fe7 N6 O30 -","- C66 H84 Br6 Cl2 Fe7 N6 O30 -","- C198 H252 Br18 Cl6 Fe21 N18 O90 -","3","0.166667","","Norihisa Hoshino; Ayuk M. Ako; Annie K. Powell; Hiroki Oshio","Molecular Magnets Containing Wheel Motifs","Inorganic Chemistry","2009","48","","3396","3407","10.1021/ic801776w","","","0.71073","MoKα","","0.0809","0.0663","","","0.2075","0.2158","","","","","","1.071","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302002","20.2484","0.0016","20.2484","0.0016","11.3469","0.0017","90","","90","","120","","4028.9","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C5.33 H7 N3.17 O2.25 Zn -","- C5.33 H7 N3.16667 O2.25 Zn -","- C95.94 H126 N57 O40.5 Zn18 -","18","1","","Ai-Xin Zhu; Jian-Bin Lin; Jie-Peng Zhang; Xiao-Ming Chen","Isomeric Zinc(II) Triazolate Frameworks with 3-Connected Networks: Syntheses, Structures, and Sorption Properties","Inorganic Chemistry","2009","48","","3882","3889","10.1021/ic802446m","","","0.71073","MoKα","","0.0785","0.0606","","","0.142","0.1514","","","","","","1.11","","","","has coordinates,has disorder","179058","2020-10-21","18:00:00",""
"4302227","24.926","0.002","24.926","0.002","15.189","0.003","90","","90","","120","","8172.7","1.9","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19.33 H13.33 Cu N2 O5.33 -","- C19.33 H13.32 Cu N2 O5.33 -","- C347.94 H239.76 Cu18 N36 O95.94 -","18","1","","Maxwell A. Braverman; Joseph H. Nettleman; Ronald M. Supkowski; Robert L. LaDuca","Copper Phthalate Coordination Polymers Incorporating Kinked Dipyridyl Ligands: An Unprecedented 8-Connected Network and One-Dimensional Chiral Nanobarrels with Hydrophobic Channels Constructed from Septuple Helical Motifs","Inorganic Chemistry","2009","48","","4918","4926","10.1021/ic900331m","","","0.71073","MoKα","","0.0884","0.0443","","","0.1029","0.1164","","","","","","1.022","","","","has coordinates","179060","2020-10-21","18:00:00",""
"4302793","19.0569","0.0019","19.0569","0.0019","13.47","0.003","90","","90","","120","","4236.5","1.1","294","2","294","2","","","","","","","see text","5","R -3 :H","-R 3","148","","","","- H4 Mn1.167 Na2 O11.167 S2.333 -","- H4 Mn1.16667 Na2 O11.1667 S2.33333 -","- H72 Mn21 Na36 O201 S42 -","18","1","","Diptikanta Swain; Tayur N Guru Row","In Situ Phase Separation Following Dehydration in Bimetallic Sulfates: A Variable-Temperature X-Ray Diffraction Study","Inorganic Chemistry","2009","48","","7048","7058","10.1021/ic801308u","","","0.71073","MoKα","","0.0605","0.0553","","","0.1547","0.1601","","","","","","1.105","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302968","11.2946","0.0003","11.2946","0.0003","39.5656","0.0015","90","","90","","120","","4371.1","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H52 Na6 O58 Pd13 Se8 -","- Na5.99 O55.9 Pd13 Se8 -","- Na17.97 O167.7 Pd39 Se24 -","3","0.166667","","Natalya V. Izarova; Michael H. Dickman; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Vasanth Ramachandran; Naresh S. Dalal; Ulrich Kortz","Heteropoly-13-Palladates(II) [PdII13(AsVPh)8O32]6- and [PdII13SeIV8O32]6-","Inorganic Chemistry","2009","48","","7504","7506","10.1021/ic900953a","","","0.71073","MoKα","","0.0656","0.0503","","","0.1032","0.1096","","","","","","1.267","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302982","32.233","0.0004","32.233","","47.969","0.0007","90","","90","","120","","43161.1","0.8","200","2","200","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C82 H78 Ag2 B2 F8 Fe4 N6 O4 P4 -","- C82 H78 Ag2 B2 F8 Fe4 N6 O4 P4 -","- C1476 H1404 Ag36 B36 F144 Fe72 N108 O72 P72 -","18","1","","Tsutomu Mizuta; Yuta Inami; Kazuyuki Kubo; Katsuhiko Miyoshi","Synthesis of Binuclear Complexes Bound in an Enlarged Tetraphosphamacrocycle: Two Diphosphine Metal Units Linked in Front-to-Front Style","Inorganic Chemistry","2009","48","","7534","7536","10.1021/ic9013224","","","0.71069","MoKα","","0.0885","0.0708","","","0.1762","0.188","","","","","","1.098","","","","has coordinates,has disorder","179067","2020-10-21","18:00:00",""
"4302998","32.244","0.002","32.244","0.002","4.7895","0.0004","90","","90","","120","","4312.4","0.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H10 O4 S -","- C8 H8 O3 S -","- C144 H144 O54 S18 -","18","1","","Beth Anne McClure; Nicholas V. Mockus; Dennis P. Butcher; Daniel A. Lutterman; Claudia Turro; Jeffrey L. Petersen; Jeffrey J. Rack","Photochromic Ruthenium Sulfoxide Complexes: Evidence for Isomerization Through a Conical Intersection","Inorganic Chemistry","2009","48","","8084","8091","10.1021/ic900421v","","","0.71073","MoKα","","0.0616","0.0452","","","0.1253","0.1322","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4303010","26.457","0.011","26.457","0.011","102.846","0.008","90","","90","","120","","62345","4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C125 H98 Cl11 Cu2 F12 N8 P2 -","- C90 H80 Cl2 Cu2 F8 N8 P1.33333 -","- C1620 H1440 Cl36 Cu36 F144 N144 P24 -","18","1","","Michael Schmittel; Bice He; Jian Fan; Jan W. Bats; Marianne Engeser; Marc Schlosser; Hans-Jörg Deiseroth","Cap for Copper(I) Ions! Metallosupramolecular Solid and Solution State Structures on the Basis of the Dynamic Tetrahedral [Cu(phenAr2)(py)2]+ Motif","Inorganic Chemistry","2009","48","","8192","8200","10.1021/ic900657w","","","0.71073","MoKα","","0.1615","0.0709","","","0.1748","0.1997","","","","","","0.741","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303078","31.642","0.005","31.642","0.005","14.873","0.003","90","","90","","120","","12896","4","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 Mg3 O16 -","- C30 H22 Mg3 O16 -","- C270 H198 Mg27 O144 -","9","0.5","","Zhiyong Guo; Guanghua Li; Liang Zhou; Shenqqun Su; Yongqian Lei; Song Dang; Hongjie Zhang","Magnesium-Based 3D Metal-Organic Framework Exhibiting Hydrogen-Sorption Hysteresis","Inorganic Chemistry","2009","48","","8069","8071","10.1021/ic901056d","","","0.71073","MoKα","","0.0789","0.0553","","","0.1479","0.1561","","","","","","0.957","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303582","44.592","0.0016","44.592","0.0016","41.023","0.003","90","","90","","120","","70643","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H100 Ni3 P4 S8 -","- C64 H100 Ni3 P4 S8 -","- C1152 H1800 Ni54 P72 S144 -","18","1","","Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes","Inorganic Chemistry","2009","48","","10591","10607","10.1021/ic901257s","","","0.71073","MoKα","","0.1555","0.0714","","","0.1225","0.1381","","","","","","1.029","","","","has coordinates,has disorder","179073","2020-10-21","18:00:00",""
"4303583","45.132","0.012","45.132","0.012","40.629","0.016","90","","90","","120","","71670","4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H100 Ni2 P4 Pt S8 -","- C64 H100 Ni2 P4 Pt S8 -","- C1152 H1800 Ni36 P72 Pt18 S144 -","18","1","","Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes","Inorganic Chemistry","2009","48","","10591","10607","10.1021/ic901257s","","","0.71073","MoKα","","0.255","0.0755","","","0.0998","0.1153","","","","","","1.026","","","","has coordinates,has disorder","179073","2020-10-21","18:00:00",""
"4303586","17.815","0.003","17.815","0.003","8.7859","0.0018","90","","90","","120","","2414.8","0.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H36 Ru6 S12 -","- C12 H36 Ru6 S12 -","- C36 H108 Ru18 S36 -","3","0.166667","","Ming-Hua Xie; Miao Wang; Chuan-De Wu","Catalytic Alkenylation of Phenylpyridines with Terminal Alkynes by a [12]Metallacrown-6 Ruthenium(II) Compound","Inorganic Chemistry","2009","48","","10477","10479","10.1021/ic901309b","","","0.71073","MoKα","","0.0202","0.0186","","","0.0494","0.0499","","","","","","1.159","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303774","30.9427","0.0008","30.9427","0.0008","12.6888","0.0006","90","","90","","120","","10521.3","0.6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C38 H46 Cl2 N2 O16 Pd S4 -","- C38 H46 Cl2 N2 O16 Pd S4 -","- C342 H414 Cl18 N18 O144 Pd9 S36 -","9","0.5","","So Young Lee; Sunhong Park; Shim Sung Lee","Copper(I), Silver(I), and Palladium(II) Complexes of a Thiaoxamacrocycle Displaying Unusual Topologies","Inorganic Chemistry","2009","48","","11335","11341","10.1021/ic901902t","","","0.71073","MoKα","","0.1624","0.0604","","","0.1477","0.2157","","","","","","1.105","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303975","17.972","0.002","17.972","0.002","24.263","0.003","90","","90","","120","","6786.8","1.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H30 Mo24 N15 Ni2 O92 -","- C24 H30 Mo24 N15 Ni2 O92 -","- C72 H90 Mo72 N45 Ni6 O276 -","3","0.166667","","Guang-Gang Gao; Lin Xu; Wen-Ju Wang; Xiao-Shu Qu; Hong Liu; Yan-Yan Yang","Cobalt(II)/Nickel(II)-Centered Keggin-Type Heteropolymolybdates: Syntheses, Crystal Structures, Magnetic and Electrochemical Properties","Inorganic Chemistry","2008","47","","2325","2333","10.1021/ic700797v","","","0.71073","MoKα","","0.0743","0.0688","","","0.1298","0.1452","","","","","","1.015","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4304164","16.373","0.001","16.373","0.001","20.311","0.001","90","","90","","120","","4715.4","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(4-dimethylaminopyridine)ruthenium(II) chloride ethanol solvate","","- C54 H96 Cl2 N12 O6 Ru -","- C54 H96 Cl6 N12 O6 Ru -","- C162 H288 Cl18 N36 O18 Ru3 -","3","0.166667","","Melina B. Rossi; Oscar E. Piro; Eduardo E. Castellano; Pablo Alborés; Luis M. Baraldo","Reactivity and Spectroscopy of the {Ru(DMAP)5} Fragment: An {Ru(NH3)5} Analogue","Inorganic Chemistry","2008","47","","2416","2427","10.1021/ic7016352","","","0.71073","MoKα","","0.0312","0.0292","","","0.0761","0.078","","","","","","1.088","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304265","13.5176","0.001","13.5176","0.001","32.999","0.004","90","","90","","120","","5221.9","0.8","293","2","293","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C72 H66 Cl0 Cu2 N0 O3 P2 S6 Sn -","- C72 H60 Cu2 O3.06 P2 S6 Sn -","- C216 H180 Cu6 O9.18 P6 S18 Sn3 -","3","0.166667","","Long-Sheng Wang; Tian-Lu Sheng; Xin Wang; Dong-Bo Chen; Sheng-Min Hu; Rui-Biao Fu; Sheng-Chang Xiang; Xin-Tao Wu","Self-Assembly of Luminescent Sn(IV)/Cu/S Clusters Using Metal Thiolates as Metalloligands","Inorganic Chemistry","2008","47","","4054","4059","10.1021/ic701741m","","","0.71073","MoKα","","","0.0684","","","0.1317","0.1473","","","","","","1.229","","","","has coordinates,has disorder","179080","2020-10-21","18:00:00",""
"4304550","29.927","0.003","29.927","0.003","39.912","0.008","90","","90","","120","","30957","8","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C132 H348 La20 N36 Ni30 O288 -","- C132 H150 La20 N36 Ni30 O216 -","- C396 H450 La60 N108 Ni90 O648 -","3","0.166667","","Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Gary Nichol; Rong-Bin Huang; Lan-Sun Zheng","Dual Shell-like Magnetic Clusters Containing NiII and LnIII (Ln = La, Pr, and Nd) Ions","Inorganic Chemistry","2008","47","","2728","2739","10.1021/ic702079e","","","0.71073","MoKα","","0.0573","0.0498","","","0.1338","0.1375","","","","","","1.103","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304578","19.707","0.0019","19.707","0.0019","27.67","0.004","90","","90","","120","","9306.4","1.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C40 H78 N9 O12 P3 S6 Zn4 -","- C40 H78 N9 O12 P3 S6 Zn4 -","- C240 H468 N54 O72 P18 S36 Zn24 -","6","0.333333","","Bijay Sarkar; Ben-Jie Liaw; Ching-Shiang Fang; C. W. Liu","Phosphonate- and Ester-Substituted 2-Cyanoethylene-1,1-Dithiolate Clusters of Zinc: Aerial CO2 Fixation and Unusual Binding Patterns","Inorganic Chemistry","2008","47","","2777","2785","10.1021/ic702126k","","","0.71073","MoKα","","0.1137","0.0609","","","0.1253","0.1504","","","","","","1.06","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304622","14.741","0.015","14.741","0.015","36.61","0.05","90","","90","","120","","6889","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H58 Fe N5 O -","- C51 H58.02 Fe N5 O -","- C306 H348.12 Fe6 N30 O6 -","6","0.333333","","Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations","Inorganic Chemistry","2008","47","","1165","1172","10.1021/ic702154z","","","0.71073","MoKα","","0.1425","0.0862","","","0.278","0.3225","","","","","","1.102","","","","has coordinates","179084","2020-10-21","18:00:00",""
"4304623","14.71","0.003","14.71","0.003","36.63","0.009","90","","90","","120","","6864","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H54 Fe N5 -","- C50 H53.97 Fe N5 -","- C300 H323.82 Fe6 N30 -","6","0.333333","","Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations","Inorganic Chemistry","2008","47","","1165","1172","10.1021/ic702154z","","","0.71073","MoKα","","0.2603","0.1068","","","0.2358","0.2845","","","","","","1.207","","","","has coordinates","179084","2020-10-21","18:00:00",""
"4304676","15.4908","0.0011","15.4908","0.0011","16.7699","0.0013","90","","90","","120","","3485","0.4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H60 Cr2 Cu3 N24 -","- C30 H60 Cr2 Cu3 N24 -","- C90 H180 Cr6 Cu9 N72 -","3","0.166667","","Olha Sereda; Joan Ribas; Helen Stoeckli-Evans","New 3D and Chiral 1D CuIICrIII Coordination Polymers Exhibiting Ferromagnetism","Inorganic Chemistry","2008","47","","5107","5113","10.1021/ic702234y","","","0.71073","MoKα","","0.0283","0.0252","","","0.0699","0.0714","","","","","","1.094","","","","has coordinates","179084","2020-10-21","18:00:00",""
"4304694","21.6188","0.0014","21.6188","0.0014","17.116","0.002","90","","90","","120","","6927.8","1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H20 Au N O4 S2 -","- C11 H10 Au N O4 S2 -","- C198 H180 Au18 N18 O72 S36 -","18","1","","Javier Arias; Manuel Bardají; Pablo Espinet","Mononuclear, Dinuclear, and Hexanuclear Gold(I) Complexes with (aza-15-crown-5)Dithiocarbamate","Inorganic Chemistry","2008","47","","1597","1606","10.1021/ic702252j","","","0.71073","MoKα","","0.0636","0.033","","","0.065","0.0721","","","","","","0.872","","","","has coordinates,has disorder","179084","2020-10-21","18:00:00",""
"4304926","15.686","0.0014","15.686","0.0014","10.4882","0.0008","90","","90","","120","","2234.9","0.3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Gd7 I12 Zn -","- Gd6.9876 I12 Zn -","- Gd20.9628 I36 Zn3 -","3","0.166667","","Mar'yana Lukachuk; Lorenz Kienle; Chong Zheng; Hansjürgen Mattausch; Arndt Simon","Gd7I12Zn: A Group 12 Atom in the Octahedral Gd6Cluster","Inorganic Chemistry","2008","47","","4656","4660","10.1021/ic800024n","","","0.71073","MoKα","","0.0344","0.0265","","","0.0459","0.0475","","","","","","1.202","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304927","16.0396","0.0012","16.0396","0.0012","10.9052","0.0016","90","","90","","120","","2429.7","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co I12 La7 -","- Co I12 La6.992 -","- Co3 I36 La20.976 -","3","0.166667","","Mar'yana Lukachuk; Lorenz Kienle; Chong Zheng; Hansjürgen Mattausch; Arndt Simon","Gd7I12Zn: A Group 12 Atom in the Octahedral Gd6Cluster","Inorganic Chemistry","2008","47","","4656","4660","10.1021/ic800024n","","","0.71073","MoKα","","0.0342","0.0295","","","0.0567","0.0577","","","","","","1.334","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304951","24.651","0.002","24.651","0.002","38.492","0.003","90","","90","","120","","20257","3","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C228 H195 Cu6 F72 N39 O15 P12 -","- C228 H186 Cu6 F72 N39 O15 P12 -","- C684 H558 Cu18 F216 N117 O45 P36 -","3","0.166667","","Eugenio Coronado; José Ramón Galan-Mascaros; Pablo Gaviña; Carlos Martí-Gastaldo; Francisco M. Romero; Sergio Tatay","Self-Assembly of a Copper(II)-Based Metallosupramolecular Hexagon","Inorganic Chemistry","2008","47","","5197","5203","10.1021/ic8000569","","","0.71073","MoKα","","0.4187","0.0979","","","0.2074","0.305","","","","","","0.718","","","","has coordinates,has disorder","179087","2020-10-21","18:00:00",""
"4305152","37.033","0.006","37.033","0.006","21.89","0.004","90","","90","","120","","25999","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C46 H70 Cu4 N26 O6 -","- C46 H70 Cu4 N26 O6 -","- C828 H1260 Cu72 N468 O108 -","18","1","","Kazi Sabnam Banu; Tanmay Chattopadhyay; Arpita Banerjee; Santanu Bhattacharya; Eringathodi Suresh; Munirathinam Nethaji; Ennio Zangrando; Debasis Das","Catechol Oxidase Activity of a Series of New Dinuclear Copper(II) Complexes with 3,5-DTBC and TCC as Substrates: Syntheses, X-ray Crystal Structures, Spectroscopic Characterization of the Adducts and Kinetic Studies","Inorganic Chemistry","2008","47","","7083","7093","10.1021/ic701332w","","","0.71073","Mokα","","0.1052","0.0547","","","0.1503","0.1679","","","","","","0.852","","","","has coordinates,has disorder","179089","2020-10-21","18:00:00",""
"4305304","13.0384","0.0015","13.0384","0.0015","32.87","0.008","90","","90","","120","","4839.3","1.4","169","2","169","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H30 In N7 O9 -","- C36 H30 In N7 O9 -","- C216 H180 In6 N42 O54 -","6","0.333333","","Michael Seitz; Evan G. Moore; Kenneth N. Raymond","Highly Fluorescent Group 13 Metal Complexes With Cyclic, Aromatic Hydroxamic Acid Ligands","Inorganic Chemistry","2008","47","","8665","8673","10.1021/ic800269w","","","0.71073","MoKα","","0.056","0.0344","","","0.0706","0.0761","","","","","","1.012","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4305411","24.0983","0.0003","24.0983","0.0003","18.1977","0.0003","90","","90","","120","","9152.1","0.2","140","2","140","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H132 Ir6 N6 O30 -","- C108 H132 Ir6 N6 O30 -","- C324 H396 Ir18 N18 O90 -","3","0.166667","","Sebastian Mirtschin; Elvira Krasniqi; Rosario Scopelliti; Kay Severin","Coordination Cages of Rhodium and Iridium as Exoreceptors for Alkali Metal Ions","Inorganic Chemistry","2008","47","","6375","6381","10.1021/ic800410x","","","0.71073","MoKα","","0.0371","0.0249","","","0.0695","0.0787","","","","","","1.144","","","","has coordinates,has disorder","179092","2020-10-21","18:00:00",""
"4305412","23.309","0.0003","23.309","0.0003","18.8741","0.0003","90","","90","","120","","8880.6","0.2","140","2","140","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C96 H96 Ir6 N6 O24 -","- C96 H96 Ir6 N6 O24 -","- C288 H288 Ir18 N18 O72 -","3","0.166667","","Sebastian Mirtschin; Elvira Krasniqi; Rosario Scopelliti; Kay Severin","Coordination Cages of Rhodium and Iridium as Exoreceptors for Alkali Metal Ions","Inorganic Chemistry","2008","47","","6375","6381","10.1021/ic800410x","","","0.71073","MoKα","","0.0443","0.0333","","","0.0745","0.0836","","","","","","1.104","","","","has coordinates,has disorder","179092","2020-10-21","18:00:00",""
"4305413","24.1442","0.0005","24.1442","0.0005","18.1743","0.0006","90","","90","","120","","9175.2","0.4","140","2","140","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H132 N6 O30 Rh6 -","- C108 H132 N6 O30 Rh6 -","- C324 H396 N18 O90 Rh18 -","3","0.166667","","Sebastian Mirtschin; Elvira Krasniqi; Rosario Scopelliti; Kay Severin","Coordination Cages of Rhodium and Iridium as Exoreceptors for Alkali Metal Ions","Inorganic Chemistry","2008","47","","6375","6381","10.1021/ic800410x","","","0.71073","MoKα","","0.086","0.0603","","","0.1481","0.1645","","","","","","1.069","","","","has coordinates","179092","2020-10-21","18:00:00",""
"4305414","23.693","0.003","23.693","0.003","18.286","0.004","90","","90","","120","","8890","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H120 N6 O30 Rh6 -","- C102 H120 N6 O30 Rh6 -","- C306 H360 N18 O90 Rh18 -","3","0.166667","","Sebastian Mirtschin; Elvira Krasniqi; Rosario Scopelliti; Kay Severin","Coordination Cages of Rhodium and Iridium as Exoreceptors for Alkali Metal Ions","Inorganic Chemistry","2008","47","","6375","6381","10.1021/ic800410x","","","0.71073","MoKα","","0.081","0.0689","","","0.1555","0.1613","","","","","","1.211","","","","has coordinates,has disorder","179092","2020-10-21","18:00:00",""
"4305563","41.363","0.008","41.363","0.008","8.056","0.002","90","","90","","120","","11936","4","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C19 H21 Cd N5 O6 S2 -","- C19 H21 Cd N5 O6 S2 -","- C342 H378 Cd18 N90 O108 S36 -","18","1","","M. Carla Aragoni; Massimiliano Arca; Andrea Bencini; Silvia Biagini; Alexander J. Blake; Claudia Caltagirone; Francesco Demartin; Greta De Filippo; Francesco A. Devillanova; Alessandra Garau; Karsten Gloe; Francesco Isaia; Vito Lippolis; Barbara Valtancoli; Marco Wenzel","Interaction of Mixed-Donor Macrocycles Containing the 1,10-Phenanthroline Subunit with Selected Transition and Post-Transition Metal Ions: Metal Ion Recognition in Competitive Liquid-Liquid Solvent Extraction of CuII, ZnII, PbII, CdII, AgI, and HgII","Inorganic Chemistry","2008","47","","8391","8404","10.1021/ic800548p","","","0.71073","MoKα","","0.1021","0.0869","","","0.2379","0.2493","","","","","","1.136","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305662","21.5359","0.001","21.5359","0.001","13.2232","0.0013","90","","90","","120","","5311.2","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H3 Cu N3 O5.33 S -","- C6 H3 Cu N3 O5.33333 S -","- C108 H54 Cu18 N54 O96 S18 -","18","1","","José Suárez-Varela; Antonio J. Mota; Hakima Aouryaghal; Joan Cano; A. Rodríguez-Diéguez; Dominique Luneau; Enrique Colacio","Anion Influence on the Structure and Magnetic Properties of a Series of Multidimensional Pyrimidine-2-carboxylato-Bridged Copper(II) Complexes","Inorganic Chemistry","2008","47","","8143","8158","10.1021/ic800625w","","","0.71073","MoKα","","0.0777","0.0584","","","0.166","0.1782","","","","","","1.025","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305851","31.88","0.008","31.88","0.008","10.801","0.004","90","","90","","120","","9507","5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H21 Er N4 -","- C24 H21 Er N4 -","- C432 H378 Er18 N72 -","18","1","","Jie Zhang; Yanan Han; Fuyan Han; Zhenxia Chen; Linhong Weng; Xigeng Zhou","Facile Construction of a Novel Aminoquinazolinate Anionic Ligand through Organolanthanide-Mediated Intermolecular Nucleophilic Addition/Cyclization of Anthranilonitrile","Inorganic Chemistry","2008","47","","5552","5554","10.1021/ic800782r","","","0.71073","MoKα","","0.0752","0.0325","","","0.0633","0.0717","","","","","","0.935","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4305852","31.866","0.008","31.866","0.008","10.778","0.004","90","","90","","120","","9478","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H21 N4 Y -","- C24 H21 N4 Y -","- C432 H378 N72 Y18 -","18","1","","Jie Zhang; Yanan Han; Fuyan Han; Zhenxia Chen; Linhong Weng; Xigeng Zhou","Facile Construction of a Novel Aminoquinazolinate Anionic Ligand through Organolanthanide-Mediated Intermolecular Nucleophilic Addition/Cyclization of Anthranilonitrile","Inorganic Chemistry","2008","47","","5552","5554","10.1021/ic800782r","","","0.71073","MoKα","","0.1823","0.0797","","","0.1728","0.2191","","","","","","0.93","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4305854","31.88","0.008","31.88","0.008","10.801","0.004","90","","90","","120","","9507","5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H21 Er N4 -","- C24 H21 Er N4 -","- C432 H378 Er18 N72 -","18","1","","Jie Zhang; Yanan Han; Fuyan Han; Zhenxia Chen; Linhong Weng; Xigeng Zhou","Facile Construction of a Novel Aminoquinazolinate Anionic Ligand through Organolanthanide-Mediated Intermolecular Nucleophilic Addition/Cyclization of Anthranilonitrile","Inorganic Chemistry","2008","47","","5552","5554","10.1021/ic800782r","","","0.71073","MoKα","","0.0752","0.0325","","","0.0633","0.0716","","","","","","0.935","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305855","31.866","0.008","31.866","0.008","10.778","0.004","90","","90","","120","","9478","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H21 N4 Y -","- C24 H21 N4 Y -","- C432 H378 N72 Y18 -","18","1","","Jie Zhang; Yanan Han; Fuyan Han; Zhenxia Chen; Linhong Weng; Xigeng Zhou","Facile Construction of a Novel Aminoquinazolinate Anionic Ligand through Organolanthanide-Mediated Intermolecular Nucleophilic Addition/Cyclization of Anthranilonitrile","Inorganic Chemistry","2008","47","","5552","5554","10.1021/ic800782r","","","0.71073","MoKα","","0.1823","0.0797","","","0.173","0.2193","","","","","","0.929","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305932","16.8069","0.0003","16.8069","0.0003","33.8171","0.0016","90","","90","","120","","8272.6","0.4","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C18 H36 Cs3 Ge Na O46 Sn3 W9 -","- C18 H15 Cs3 Ge Na O44.98 Sn3 W9 -","- C108 H90 Cs18 Ge6 Na6 O269.88 Sn18 W54 -","6","0.333333","","Santiago Reinoso; Michael H. Dickman; Antonia Praetorius; Luis Fernando Piedra-Garza; Ulrich Kortz","Phenyltin-Substituted 9-Tungstogermanate and Comparison with Its Tungstosilicate Analogue","Inorganic Chemistry","2008","47","","8798","8806","10.1021/ic800852d","","","0.71073","MoKα","","0.0731","0.0431","","","0.086","0.0963","","","","","","1.065","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305934","16.7584","0.0001","16.7584","0.0001","33.6877","0.0005","90","","90","","120","","8193.46","0.14","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C18 H36 Cs3 Na O46 Si Sn3 W9 -","- C18 H15 Cs3 Na O43.99 Si Sn3 W9 -","- C108 H90 Cs18 Na6 O263.94 Si6 Sn18 W54 -","6","0.333333","","Santiago Reinoso; Michael H. Dickman; Antonia Praetorius; Luis Fernando Piedra-Garza; Ulrich Kortz","Phenyltin-Substituted 9-Tungstogermanate and Comparison with Its Tungstosilicate Analogue","Inorganic Chemistry","2008","47","","8798","8806","10.1021/ic800852d","","","0.71073","MoKα","","0.0535","0.0401","","","0.1121","0.1248","","","","","","1.016","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305960","45.132","0.012","45.132","0.012","40.629","0.016","90","","90","","120","","71670","4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H100 Ni2 P4 Pt S8 -","- C64 H100 Ni2 P4 Pt S8 -","- C1152 H1800 Ni36 P72 Pt18 S144 -","18","1","","Kuppuswamy Arumugam; Rongmin Yu; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","A Convergent Approach to the Synthesis of Multimetallic Dithiolene Complexes","Inorganic Chemistry","2008","47","","5570","5572","10.1021/ic800880s","","","0.71073","MoKα","","0.255","0.0755","","","0.0998","0.1153","","","","","","1.026","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4305964","44.592","0.0016","44.592","0.0016","41.023","0.003","90","","90","","120","","70643","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H100 Ni3 P4 S8 -","- C64 H100 Ni3 P4 S8 -","- C1152 H1800 Ni54 P72 S144 -","18","1","","Kuppuswamy Arumugam; Rongmin Yu; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","A Convergent Approach to the Synthesis of Multimetallic Dithiolene Complexes","Inorganic Chemistry","2008","47","","5570","5572","10.1021/ic800880s","","","0.71073","MoKα","","0.1555","0.0714","","","0.1225","0.1381","","","","","","1.029","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4306509","24.2216","0.0008","24.2216","0.0008","18.5242","0.0012","90","","90","","120","","9411.9","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H160 Cl12 N12 O14 Zn6 -","- C96 H156 Cl12 N12 O14 Zn6 -","- C288 H468 Cl36 N36 O42 Zn18 -","3","0.166667","","Bi-Xue Zhu; Qi-Long Zhang; Yun-Qian Zhang; Tao Zhu; Jack K. Clegg; Leonard F. Lindoy; Gang Wei","Four Zinc(II) Helical Coordination Polymers and 78-Membered Six-Node Zinc Metallacycle Assembled from Diastereopure N,N'-Bis(acetylacetone)cyclohexanediimine","Inorganic Chemistry","2008","47","","10053","10061","10.1021/ic801329g","","","0.71073","MoKα","","0.0674","0.0429","","","0.1265","0.1367","","","","","","1.083","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306510","14.453","0.003","14.453","0.003","34.208","0.012","90","","90","","120","","6188","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H77 Er2 Mn3 N3 O59.5 -","- C42 H18 Er2 Mn3 N6 O59.5 -","- C126 H54 Er6 Mn9 N18 O178.5 -","3","0.166667","","Hong-Ling Gao; Bin Zhao; Xiao-Qing Zhao; You Song; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Structures and Magnetic Properties of Ferromagnetic Coupling 2D Ln-M Heterometallic Coordination Polymers (Ln = Ho, Er; M = Mn, Zn)","Inorganic Chemistry","2008","47","","11057","11061","10.1021/ic801332a","","","0.71073","MoKα","","0.0763","0.0472","","","0.1211","0.1421","","","","","","1.102","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4306511","14.27","0.02","14.27","0.02","34.75","0.06","90","","90","","120","","6128","16","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H88 Er2 N6 O68 Zn3 -","- C42 H76.02 Er2 N6 O68 Zn3 -","- C126 H228.06 Er6 N18 O204 Zn9 -","3","0.166667","","Hong-Ling Gao; Bin Zhao; Xiao-Qing Zhao; You Song; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Structures and Magnetic Properties of Ferromagnetic Coupling 2D Ln-M Heterometallic Coordination Polymers (Ln = Ho, Er; M = Mn, Zn)","Inorganic Chemistry","2008","47","","11057","11061","10.1021/ic801332a","","","0.71073","MoKα","","0.0535","0.037","","","0.0718","0.0762","","","","","","1.121","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4306512","14.419","0.002","14.419","0.002","34.057","0.01","90","","90","","120","","6132","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H77 Ho2 Mn3 N6 O59.5 -","- C42 H18 Ho2 Mn3 N6 O59.5 -","- C126 H54 Ho6 Mn9 N18 O178.5 -","3","0.166667","","Hong-Ling Gao; Bin Zhao; Xiao-Qing Zhao; You Song; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Structures and Magnetic Properties of Ferromagnetic Coupling 2D Ln-M Heterometallic Coordination Polymers (Ln = Ho, Er; M = Mn, Zn)","Inorganic Chemistry","2008","47","","11057","11061","10.1021/ic801332a","","","0.71073","MoKα","","0.0476","0.0369","","","0.1034","0.1098","","","","","","1.082","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4306513","14.305","0.007","14.305","0.007","35.075","0.015","90","","90","","120","","6216","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H88 Ho2 N6 O68 Zn3 -","- C42 H36 Ho2 N6 O68 Zn3 -","- C126 H108 Ho6 N18 O204 Zn9 -","3","0.166667","","Hong-Ling Gao; Bin Zhao; Xiao-Qing Zhao; You Song; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan","Structures and Magnetic Properties of Ferromagnetic Coupling 2D Ln-M Heterometallic Coordination Polymers (Ln = Ho, Er; M = Mn, Zn)","Inorganic Chemistry","2008","47","","11057","11061","10.1021/ic801332a","","","0.71073","MoKα","","0.0519","0.0396","","","0.0935","0.1028","","","","","","1.18","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4306608","11.966","0.0007","11.966","0.0007","72.753","0.007","90","","90","","120","","9021.5","1.1","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H18 N6 Na16 Ni8 O121 Si2 W18 -","- C12 H18 N5.94 Na16 Ni8 O120.98 Si2 W18 -","- C36 H54 N17.82 Na48 Ni24 O362.94 Si6 W54 -","3","0.166667","","Céline Pichon; Pierre Mialane; Anne Dolbecq; Jérôme Marrot; Eric Rivière; Bassem S. Bassil; Ulrich Kortz; Bineta Keita; Louis Nadjo; Francis Sécheresse","Octa- and Nonanuclear Nickel(II) Polyoxometalate Clusters: Synthesis and Electrochemical and Magnetic Characterizations","Inorganic Chemistry","2008","47","","11120","11128","10.1021/ic801431f","","","0.71073","MoKα","","0.0337","0.0271","","","0.0855","0.1012","","","","","","1.263","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4307182","30.451","0.005","30.451","0.005","13.919","0.003","90","","90","","120","","11177","4","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H54 N9 O3 Yb3 -","- C60 H54 N9 O3 Yb3 -","- C360 H324 N54 O18 Yb18 -","6","0.333333","","Jie Zhang; Ruifang Cai; Zhenxia Chen; Xigeng Zhou","Facile Construction of Lanthanide Metallomacrocycles with the Bridging Imidazolate and Triazolate Ligands and Their Ring Expansions","Inorganic Chemistry","2007","46","","321","327","10.1021/ic061722f","","","0.71073","MoKα","","0.1419","0.0633","","","0.1778","0.2148","","","","","","0.97","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4307183","30.575","0.006","30.575","0.006","13.945","0.004","90","","90","","120","","11290","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H54 Dy3 N9 O3 -","- C60 H54 Dy3 N9 O3 -","- C360 H324 Dy18 N54 O18 -","6","0.333333","","Jie Zhang; Ruifang Cai; Zhenxia Chen; Xigeng Zhou","Facile Construction of Lanthanide Metallomacrocycles with the Bridging Imidazolate and Triazolate Ligands and Their Ring Expansions","Inorganic Chemistry","2007","46","","321","327","10.1021/ic061722f","","","0.71073","MoKα","","0.1266","0.0769","","","0.2403","0.2903","","","","","","1.118","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4307305","9.548","0.001","9.548","0.001","27.314","0.005","90","","90","","120","","2156.5","0.5","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H30 Na6 O26 S2 V -","- C12 H30 Na6 O26 S2 V -","- C36 H90 Na18 O78 S6 V3 -","3","0.166667","","Bernd Morgenstern; Barbara Kutzky; Christian Neis; Stefan Stucky; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera","Synthesis and Characterization of Vanadium(IV) Complexes with cis-Inositol in Aqueous Solution and in the Solid-State","Inorganic Chemistry","2007","46","","3903","3915","10.1021/ic0618504","","","0.71073","MoKα","","0.0637","0.0557","","","0.1661","0.1723","","","","","","1.166","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4308226","29.1361","0.0013","29.1361","0.0013","55.364","0.003","90","","90","","120","","40702","3","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C71 H51 Cl13 N11 O2 Ru2 -","- C71 H51 Cl13 N11 O2 Ru2 -","- C1278 H918 Cl234 N198 O36 Ru36 -","18","1","","Wei-Zhong Chen; Phillip E. Fanwick; Tong Ren","Dendronized Diruthenium Compounds via the Copper(I)-Catalyzed Click Reaction","Inorganic Chemistry","2007","46","","3429","3431","10.1021/ic0702623","","","0.71073","MO-Kα","","0.088","0.058","","","0.13","0.141","","","","","","1.019","","","","has coordinates","179120","2020-10-21","18:00:00",""
"4308283","17.6706","0.0006","17.6706","0.0006","23.5201","0.0011","90","","90","","120","","6360.2","0.4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H26 Ag6 Mo24 N24 O81 P2 -","- C12 H24 Ag6 Mo24 N24 O81 P2 -","- C36 H72 Ag18 Mo72 N72 O243 P6 -","3","0.166667","","Quan-Guo Zhai; Xiao-Yuan Wu; Shu-Mei Chen; Zhen-Guo Zhao; Can-Zhong Lu","Construction of Ag/1,2,4-Triazole/Polyoxometalates Hybrid Family Varying from Diverse Supramolecular Assemblies to 3-D Rod-Packing Framework","Inorganic Chemistry","2007","46","","5046","5058","10.1021/ic700415w","","","0.71073","MoKα","","0.0446","0.0402","","","0.0881","0.0907","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308652","30.208","0.007","30.208","0.007","8.454","0.003","90","","90","","120","","6681","3","203.15","","273","2","","","","","","","","5","R -3 :H","-R 3","148","(FeIII6L6).H2O","","","- C66 H80 Fe6 N12 O31 -","- C66 H78 Fe6 N12 O31.02 -","- C198 H234 Fe18 N36 O93.06 -","3","0.166667","","Satoshi Koizumi; Masayuki Nihei; Motohiro Nakano; Hiroki Oshio","Antiferromagnetic FeIII6 Ring and Single-Molecule Magnet MnII3MnIII4 Wheel","Inorganic Chemistry","2005","44","","1208","1210","10.1021/ic0484203","","","0.71073","MoKα","","0.0722","0.0618","","","0.1929","0.2049","","","","","","1.09","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308661","24.557","0.004","24.557","0.004","10.193","0.002","90","","90","","120","","5323.3","1.6","110","2","110","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H30 N4 O6 -","- C24 H30 N4 O6 -","- C216 H270 N36 O54 -","9","0.5","","Donald J. Darensbourg; Damon R. Billodeaux","Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide","Inorganic Chemistry","2005","44","","1433","1442","10.1021/ic048508g","","","0.71073","MoKα","","0.2232","0.1012","","","0.2186","0.267","","","","","","0.772","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4308873","30.572","0.003","30.572","0.003","19.309","0.003","90","","90","","120","","15629","3","223.2","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H100 K2 O12 Ru2 -","- C64 H100 K2 O12 Ru2 -","- C576 H900 K18 O108 Ru18 -","9","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3810","3817","10.1021/ic048250u","","","0.7107","MoKα","","","0.032","","","","0.042","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308874","30.511","0.002","30.511","0.002","19.4609","0.0001","90","","90","","120","","15689.4","1.5","223.2","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H100 O12 Rb2 Ru2 -","- C64 H100 O12 Rb2 Ru2 -","- C576 H900 O108 Rb18 Ru18 -","9","0.5","","Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds","Inorganic Chemistry","2005","44","","3810","3817","10.1021/ic048250u","","","0.7107","MoKα","","","0.0487","","","","0.0709","","","","","","1.329","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308965","11.4711","0.001","11.4711","0.001","11.1465","0.0017","90","","90","","120","","1270.2","0.2","293","0.2","293","0.2","","","","","","","","4","R -3 :H","-R 3","148","","Barium Titanium Iodate","","- Ba I6 O18 Ti -","- Ba I6 O18 Ti -","- Ba3 I18 O54 Ti3 -","3","0.166667","","Kang Min Ok; P. Shiv Halasyamani","New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O","Inorganic Chemistry","2005","44","","2263","2271","10.1021/ic048428c","","","0.71073","MoKα","","0.023","0.0221","","","0.058","0.0583","","","","","","1.171","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309000","20.457","0.003","20.457","0.003","18.516","0.004","90","","90","","120","","6711","2","291","2","291","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H60 Ag6 I7 K N24 O12 -","- C72 H60 Ag6 I7 K N24 O12 -","- C216 H180 Ag18 I21 K3 N72 O36 -","3","0.166667","","Yunyin Niu; Yinglin Song; Hongwei Hou; Yu Zhu","Synthesis, Structure, and Large Optical Limiting Effect of the First Coordination Polymeric Cluster Based on an {I@[AgI(inh)]6} Hexagram Block","Inorganic Chemistry","2005","44","","2553","2559","10.1021/ic0487023","","","0.71073","MoKα","","0.0588","0.0342","","","0.0641","0.0683","","","","","","1.058","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4309121","13.8811","0.0009","13.8811","0.0009","31.783","0.003","90","","90","","120","","5303.6","0.7","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H72 Cu3 F6 Mo4 N24 O12 -","- C60 H72 Cu3 F6 Mo4 N24 O12 -","- C180 H216 Cu9 F18 Mo12 N72 O36 -","3","0.166667","","Janet E. Kirsch; Heather K. Izumi; Charlotte L. Stern; Kenneth R. Poeppelmeier","Synthesis and Characterization of the Face-Sharing Bioctahedral [Mo2O6F3]3- Anion","Inorganic Chemistry","2005","44","","4586","4593","10.1021/ic0502877","","","0.71073","MoKα","","0.0504","0.0401","","","0.1014","0.1079","","","","","","1.068","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309362","49.76","0.05","49.76","0.05","13.85","0.03","90","","90","","120","","29699","8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","[Sm(HDFPSCPTSC)2]Cl*H2O","Bis(2,6-diformylpyridine-4-phenylsemicarbazone-4-phenylthiosemicarbazonato)- samarium(III) nitrate water solvate","","- C42 H36 N15 O6 S2 Sm -","- C42 H36 N15 O6 S2 Sm -","- C756 H648 N270 O108 S36 Sm18 -","18","1","","Alexander Jagst; Agustin Sánchez; Ezequiel M. Vázquez-López; Ulrich Abram","Controlled Ligand Deprotonation in Lanthanide Chelates with Asymmetric Semicarbazone/Benzoylhydrazone or Semicarbazone/Thiosemicarbazone Coordination Spheres","Inorganic Chemistry","2005","44","","5738","5744","10.1021/ic050556t","","","0.71073","MoKα","","0.1261","0.0669","","","0.1558","0.1894","","","","","","0.975","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309470","23.4085","0.0002","23.4085","0.0002","43.2339","0.0006","90","","90","","120","","20516.4","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H61 Er N3 O6.5 P6 -","- C72 H60 Er N3 O6.5 P6 -","- C864 H720 Er12 N36 O78 P72 -","12","0.666667","","Andrew P. Bassett; Rik Van Deun; Peter Nockemann; Peter B. Glover; Benson M. Kariuki; Kristof Van Hecke; Luc Van Meervelt; Zoe Pikramenou","Long-Lived Near-Infrared Luminescent Lanthanide Complexes of Imidodiphosphinate ""Shell"" Ligands","Inorganic Chemistry","2005","44","","6140","6142","10.1021/ic0482436","","","1.54178","CuKα","","0.0337","0.0283","","","0.0755","0.08","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309533","14.282","0.002","14.282","0.003","37.451","0.006","90","","90","","120","","6616","2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H46 Co2 N6 O8 -","- C48 H42 Co2 N6 O8 -","- C288 H252 Co12 N36 O48 -","6","0.333333","","Subramanya Gupta Sreerama; Samudranil Pal","Dinuclear Triple Helicates with Diazine Ligands: X-ray Structural, Electrochemical, and Magnetic Studies","Inorganic Chemistry","2005","44","","6299","6307","10.1021/ic050704f","","","0.71073","MoKα","","0.2113","0.084","","","0.1834","0.2415","","","","","","0.981","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309573","12.194","0.002","12.194","0.002","17.336","0.003","90","","90","","120","","2232.4","0.6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","mer-trichlorotripyrazoloruthenium(III)","","- C18 H30 B2 F8 N18 Ru -","- C18 H30 B2 F8 N18 Ru -","- C54 H90 B6 F24 N54 Ru3 -","3","0.166667","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0301","0.0281","","","0.0717","0.0724","","","","","","0.979","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309685","18.1966","0.0007","18.1966","0.0007","31.898","0.003","90","","90","","120","","9146.9","1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H25 Mn N2 O5 S2 -","- C16 H25 Mn N2 O5 S2 -","- C288 H450 Mn18 N36 O90 S36 -","18","1","","Rohith P. John; Kyungjae Lee; Beom Jin Kim; Byoung Jin Suh; Hackjune Rhee; Myoung Soo Lah","Modulation of the Ring Size and Nuclearity of Metallamacrocycles via the Steric Effect of Ligands: Preparation and Characterization of 18-Membered Hexanuclear, 24-Membered Octanuclear, and 30-Membered Decanuclear Manganese Metalladiazamacrocycles with α- and β-Branched N-Acylsalicylhydrazides","Inorganic Chemistry","2005","44","","7109","7121","10.1021/ic050891h","","","0.71073","MoKα","","0.0568","0.0497","","","0.13","0.1382","","","","","","1.038","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309762","21.255","0.005","21.255","0.005","28.31","0.005","90","","90","","120","","11076","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C56 H52 Co N4 O12 -","- C56 H52 Co N4 O12 -","- C504 H468 Co9 N36 O108 -","9","0.5","","Suman Maji; Anil Kumar; Kuntal Pal; Sabyasachi Sarkar","Reversible Penta- and Hexacoordination Motifs in [Co(TMPP)] Resulting in Interchange of 1D and 2D Supramolecular Designs","Inorganic Chemistry","2005","44","","7277","7279","10.1021/ic050900m","","","0.71069","MoKα","","0.0818","0.0504","","","0.1016","0.109","","","","","","0.875","","","","has coordinates,has disorder","179135","2020-10-21","18:00:00",""
"4310142","39.481","0.008","39.481","0.008","14.574","0.004","90","","90","","120","","19674","8","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C62 H98 Co2 N12 O24 Rh2 -","- C62 H98 Co2 N12 O24 Rh2 -","- C558 H882 Co18 N108 O216 Rh18 -","9","0.5","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.1157","0.0715","","","0.1885","0.2167","","","","","","1.095","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310482","29.9011","0.001","29.9011","0.001","11.7415","0.0006","90","","90","","120","","9091.4","0.6","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C32 H30 Ag2 F6 N12 O8 S2 -","- C32 H30 Ag2 F6 N12 O8 S2 -","- C288 H270 Ag18 F54 N108 O72 S18 -","9","0.5","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0653","0.0372","","","0.0678","0.075","","","","","","1.04","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310483","31.3014","0.0018","31.3014","0.0018","12.7921","0.0011","90","","90","","120","","10854.3","1.3","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H42 Ag2 F12 N12 O4 Sb2 -","- C36 H42 Ag2 F12.0133 N12 O4 Sb2 -","- C324 H378 Ag18 F108.12 N108 O36 Sb18 -","9","0.5","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0695","0.0591","","","0.1794","0.1885","","","","","","1.059","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310595","34.0681","0.0003","34.0681","0.0003","22.479","0.0004","90","","90","","120","","22594.5","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C35.5 H40 Cl N2 O15 P Ru3 -","- C35.5 H40 Cl N2 O15 P Ru3 -","- C639 H720 Cl18 N36 O270 P18 Ru54 -","18","1","","Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki","Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene","Inorganic Chemistry","2004","43","","1481","1490","10.1021/ic0344968","","","0.71073","MoKα","","0.1082","0.0676","","","0.1835","0.2263","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310879","18.5226","0.0017","18.5226","0.0017","15.4736","0.0015","90","","90","","120","","4597.5","0.7","273","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H95 K N8 Ti6 -","- C60 H94.98 K N8 Ti6 -","- C180 H284.94 K3 N24 Ti18 -","3","0.166667","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.0593","0.0445","","","0.1048","0.1138","","","","","","1.047","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310880","18.767","0.006","18.767","0.006","15.741","0.008","90","","90","","120","","4801","3","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C60 H95 N8 Rb Ti6 -","- C60 H94.98 N8 Rb Ti6 -","- C180 H284.94 N24 Rb3 Ti18 -","3","0.166667","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.0497","0.0382","","","0.0919","0.0975","","","","","","1.082","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310881","18.799","0.005","18.799","0.005","16.115","0.005","90","0.005","90","0.005","120","0.005","4932","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H95 Cs N8 Ti6 -","- C60 H94.98 Cs N8 Ti6 -","- C180 H284.94 Cs3 N24 Ti18 -","3","0.166667","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","","0.71069","MoKα","","0.0685","0.0459","","","0.116","0.1256","","","","","","1.08","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310993","17.371","0.004","17.371","0.004","13.077","0.008","90","","90","","120","","3417","2","215","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H83 Cl3 N6 O21 V -","- C24 H72 Cl3 N6 O21 V -","- C72 H216 Cl9 N18 O63 V3 -","3","0.166667","","Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy","Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands","Inorganic Chemistry","2004","43","","3116","3126","10.1021/ic0352046","","","0.71073","MoKα","","0.1028","0.06","","","0.1541","0.174","","","","","","0.923","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4310994","19.391","0.003","19.391","0.003","26.708","0.005","90","","90","","120","","8697","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C57 H51 Al Bi2 O24 -","- C57 H51 Al Bi2 O24 -","- C342 H306 Al6 Bi12 O144 -","6","0.333333","","John H. Thurston; Daniel Trahan; Teyeb Ould-Ely; Kenton H. Whitmire","Toward a General Strategy for the Synthesis of Heterobimetallic Coordination Complexes for Use as Precursors to Metal Oxide Materials: Synthesis, Characterization, and Thermal Decomposition of Bi2(Hsal)6.M(Acac)3 (M = Al, Co, V, Fe, Cr)","Inorganic Chemistry","2004","43","","3299","3305","10.1021/ic035284d","","","0.71073","MoKα","","0.1302","0.1058","","","0.3079","0.3234","","","","","","1.149","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4311099","15.4323","0.001","15.4323","0.001","29.624","0.002","90","","90","","120","","6109.9","0.7","133","2","133","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H108 Al8 I6 N2 Si6 -","- C54 H108 Al8 I6 N2 Si6 -","- C162 H324 Al24 I18 N6 Si18 -","3","0.166667","","Andreas Stasch; Herbert W. Roesky; Denis Vidovic; Jörg Magull; Hans-Georg Schmidt; Mathias Noltemeyer","Synthesis of Carbaalane Halogen Derivatives","Inorganic Chemistry","2004","43","","3625","3630","10.1021/ic035460i","","","0.71073","MoKα","","0.0168","0.0153","","","0.0374","0.038","","","","","","1.089","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311247","22.053","0.002","22.053","0.002","14.15","0.003","90","","90","","120","","5959.7","1.5","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H84 Ag8 Cl F6 O12 P7 Se12 -","- C36 H84 Ag8 Cl F6 O12 P7 Se12 -","- C108 H252 Ag24 Cl3 F18 O36 P21 Se36 -","3","0.166667","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.0879","0.0521","","","0.1222","0.1416","","","","","","1.019","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311248","22.1446","0.0018","22.1446","0.0018","14.0231","0.0018","90","","90","","120","","5955.4","1","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H84 Ag8 Br F6 O12 P7 Se12 -","- C36 Ag8 Br F6 O12 P7 Se12 -","- C108 Ag24 Br3 F18 O36 P21 Se36 -","3","0.166667","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.1397","0.0683","","","0.1572","0.1913","","","","","","1.045","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311267","21.919","0.002","21.919","0.002","12.603","0.002","90","","90","","120","","5243.8","1.1","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48.75 H102.75 Cl8.25 Fe6 N6 O12 -","- C48.756 H102.76 Cl8.268 Fe6 N6 O12 -","- C146.268 H308.28 Cl24.804 Fe18 N18 O36 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0889","0.0558","","0.1461","0.1275","","","","1.046","1.103","1.103","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311270","41.114","0.002","41.114","0.002","21.987","0.001","90","","90","","120","","32187","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H138 Cl24 Fe6 N12 O12 -","- C126 H136 Cl24 Fe6 N12 O12 -","- C1134 H1224 Cl216 Fe54 N108 O108 -","9","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1099","0.0576","","","0.14","0.1849","","","","","","1.188","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311273","26.161","0.004","26.161","0.004","12.283","0.003","90","","90","","120","","7280","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C67 H139 Cl9 Fe6 N6 O30 -","- C67 H139 Cl9 Fe6 N6 O30 -","- C201 H417 Cl27 Fe18 N18 O90 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0555","0.0435","","","0.1181","0.1255","","","","","","1.046","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311274","25.0845","0.0006","25.0845","0.0006","16.0454","0.0007","90","","90","","120","","8743.6","0.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H150 Fe6 N12 O30 S6 -","- C102 H150 Fe6 N12 O30 S6 -","- C306 H450 Fe18 N36 O90 S18 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0537","0.0389","","","0.1031","0.1138","","","","","","0.97","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311275","29.035","0.0007","29.035","0.0007","11.8571","0.0005","90","","90","","120","","8656.7","0.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C85 H115 Cl15 Fe6 N12 O18 S6 -","- C85 H115 Cl15.048 Fe6 N12 O18 S6 -","- C255 H345 Cl45.144 Fe18 N36 O54 S18 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0987","0.0817","","","0.24","0.2556","","","","","","1.846","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311279","15.095","0.002","15.095","0.002","23.647","0.003","90","","90","","120","","4666.3","1.1","275","2","275","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38 H80 Cl12 Fe6 N6 O12 -","- C38 H80 Cl12 Fe6 N6 O12 -","- C114 H240 Cl36 Fe18 N18 O36 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1506","0.0716","","0.2315","0.1888","","","","1.156","1.308","1.308","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311283","26.731","0.004","26.731","0.004","12.236","0.002","90","","90","","120","","7572","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C73 H151 Cl9 Fe6 N6 O30 -","- C73.018 H151 Cl9 Fe6 N6 O30.018 -","- C219.054 H453 Cl27 Fe18 N18 O90.054 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0392","0.0348","","","0.0898","0.094","","","","","","1.079","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311291","30.06","0.003","30.06","0.003","12.127","0.002","90","","90","","120","","9490","2","173","","173","","","","","","","","see text","6","R -3 :H","-R 3","148","","","","- C90 H102 Cl6 Fe6 N6 O18 -","- C90 H102 Cl6 Fe6 N6 O18 -","- C270 H306 Cl18 Fe18 N18 O54 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311332","31.35","0.001","31.35","0.001","14.285","0.001","90","","90","","120","","12158.7","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","catena-[bis(mu!3$-adeninato-N3,N7,N9)(oxalato-O,O')diaqua dicopper(II)-water (1/7)]","","- C24 H52 Cu4 N20 O26 -","- C24 H24 Cu4 N20 O22 -","- C216 H216 Cu36 N180 O198 -","9","0.5","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Luis Lezama","An Unusual 3D Coordination Polymer Based on Bridging Interactions of the Nucleobase Adenine","Inorganic Chemistry","2004","43","","4549","4551","10.1021/ic049512v","","x-ray","0.71073","MoKα","","0.1471","0.0658","","","0.1075","0.1663","","","","","","1.002","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311537","29.079","0.002","29.079","0.002","25.623","0.004","90","","90","","120","","18764","3","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H51 I2 N3 Nd O -","- C37 H51 I2 N3 Nd O -","- C666 H918 I36 N54 Nd18 O18 -","18","1","","Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar","Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion","Inorganic Chemistry","2004","43","","5771","5779","10.1021/ic049820t","","","0.71073","MoKα","","0.0996","0.0568","","","0.138","0.1666","","","","","","1.021","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311707","27.9006","0.0019","27.9006","0.0019","14.4587","0.0012","90","","90","","120","","9747.4","1.2","571","2","571","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38.33 H39.33 Cl4 Cu2 N6 O8.33 -","- C39 H38 Cl4 Cu2 N6 O8.51 -","- C351 H342 Cl36 Cu18 N54 O76.59 -","9","0.5","","Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur","Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization","Inorganic Chemistry","2004","43","","6324","6330","10.1021/ic049648t","","","0.71073","MoKα","","0.0513","0.0412","","","0.1235","0.1318","","","","","","1.05","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311773","36.3893","0.0005","36.3893","0.0005","13.0575","0.0002","90","","90","","120","","14974","0.4","150","1","150","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H48 N2 O3 Ti -","- C34 H48 N2 O3 Ti -","- C612 H864 N36 O54 Ti18 -","18","1","","Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang","Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes","Inorganic Chemistry","2004","43","","6786","6792","10.1021/ic049474f","","","0.71073","MoKα","","0.0896","0.0601","","","0.1685","0.1991","","","","","","0.958","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4312050","22.977","0.002","22.977","0.002","12.196","0.003","90","","90","","120","","5576.2","1.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H84 O12 P6 Se13 Zn4 -","- C36 O12 P6 Se13 Zn4 -","- C108 O36 P18 Se39 Zn12 -","3","0.166667","","Bidyut Kumar Santra; Chiu-Mine Hung; Ben-Jie Liaw; Ju-Chun Wang; C. W. Liu","The First, Discrete Zn4 Tetrahedron with a Selenium Atom in the Center: X-ray Structure and Solution Study of [Zn4(μ4-Se){Se2P(OPr)2}6]","Inorganic Chemistry","2004","43","","7570","7572","10.1021/ic048791j","","","0.71073","MoKα","","0.1012","0.0598","","","0.1714","0.1996","","","","","","1.079","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312290","31.597","0.004","31.597","0.004","36.321","0.007","90","","90","","120","","31404","8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C55 H73 Cl2 Cu3 N5 O6 -","- C55 H72 Cl2 Cu3 N5 O6 -","- C990 H1296 Cl36 Cu54 N90 O108 -","18","1","","Suman Mukhopadhyay; Debdas Mandal; Pabitra Baran Chatterjee; Cédric Desplanches; Jean-Pascal Sutter; Ray J. Butcher; Muktimoy Chaudhury","Bi- and Trinuclear Copper(II) Complexes of a Sterically Constrained Phenol-Based Tetradentate Ligand: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2004","43","","8501","8509","10.1021/ic049271r","","","0.71073","MoKα","","0.2364","0.067","","","0.1725","0.223","","","","","","0.768","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312292","51.668","0.005","51.668","0.005","20.345","0.003","90","","90","","120","","47036","9","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C94 H134 Mn4 N12 O14 -","- C83 H50 Mn4 N12 O14 -","- C1494 H900 Mn72 N216 O252 -","18","1","","Dohyun Moon; Jiheh Song; Beom Jin Kim; Byoung Jin Suh; Myoung Soo Lah","Three-Dimensional Helical Coordination Networks of a Hexanuclear Manganese Metallamacrocycle as a Helical Tecton","Inorganic Chemistry","2004","43","","8230","8232","10.1021/ic049393j","","","0.71073","MoKα","","0.1401","0.0818","","","0.2258","0.254","","","","","","0.907","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312325","11.8394","0.0008","11.8394","0.0008","17.4685","0.0015","90","","90","","120","","2120.5","0.3","200","","","","","","","","","","","3","R -3 :H","-R 3","148","9-silanyltriptycene","tribenzobarellenesilane","","- C20 H16 Si -","- C20 H16 Si -","- C120 H96 Si6 -","6","0.333333","","Marcin Brynda; Gérald Bernardinelli; Cosmina Dutan; Michel Geoffroy","Kinetic Stabilization of Primary Hydrides of Main Group Elements. The Synthesis of an Air-Stable, Crystalline Arsine and Silane","Inorganic Chemistry","2003","42","","6586","6588","10.1021/ic034367r","","","0.71073","MoKα","","","0.032","","","","0.031","","","","","","1.48","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4312337","33.233","0.01","33.231","0.01","25.275","0.005","90","0.005","90","0.005","120","0.005","24173","11","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H147 N48 Nb3 Ni6 O10 -","- C114 H147 N48 Nb3 Ni6 O9.99 -","- C684 H882 N288 Nb18 Ni36 O59.94 -","6","0.333333","","Rabindranath Pradhan; Cédric Desplanches; Philippe Guionneau; Jean-Pascal Sutter","Octadecanuclear Cluster or 1D Polymer with [{ML}2Nb(CN)8]n Motifs as a Function of {ML} (M = Ni(II), n= 6; M = Mn(II), n= \ιnfty; L = Macrocycle)","Inorganic Chemistry","2003","42","","6607","6609","10.1021/ic034628x","","","0.71069","MoKα","","0.2026","0.1125","","","0.2649","0.3323","","","","","","1.017","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4312589","15.5003","0.0005","15.5003","0.0005","28.8326","0.0014","90","","90","","120","","5999.2","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H21 Ag4 F9 N3 O9 -","- C33.99 H21 Ag4 F9 N3 O9 -","- C203.94 H126 Ag24 F54 N18 O54 -","6","0.333333","","Xiao-Li Zhao; Quan-Ming Wang; Thomas C. W. Mak","Self-Assembled Silver Polyhedra with Embedded Acetylide Dianion Stabilized by Perfluorocarboxylate and 4-Hydroxyquinoline Ligands","Inorganic Chemistry","2003","42","","7872","7876","10.1021/ic034595l","","","0.71073","MoKα","","0.0466","0.0374","","","0.0896","0.0959","","","","","","1.041","","","","has coordinates,has disorder","179164","2020-10-21","18:00:00",""
"4312682","21.0139","0.0013","21.0139","0.0013","11.404","0.003","90","","90","","120","","4361.2","1.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H60 Cu7.08 O12 P6 S12 Se0.54 -","- C24 H60 Cu7.08 O12 P6 S12 Se0.54 -","- C72 H180 Cu21.24 O36 P18 S36 Se1.62 -","3","0.166667","","C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Ju-Chun Wang; Hsien-Ming Kao; Zhenyang Lin","Ligand Substitution in Cubic Clusters: Surprising Isolation of the Cocrystallization Products of Cu8(μ8-Se)[S2P(OEt)2]6 and Cu6[S2P(OEt)2]6","Inorganic Chemistry","2003","42","","8551","8556","10.1021/ic034621f","","","0.71073","MoKα","","0.0723","0.0599","","","0.164","0.1812","","","","","","1.072","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312734","21.9335","0.0006","21.9335","0.0006","65.463","0.003","90","","90","","120","","27273.6","1.6","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81.18 H94.68 Cl0.55 N9.5 O12 S6 -","- C81.181 H94.681 Cl0.543 N9.377 O12 S6 -","- C974.172 H1136.17 Cl6.516 N112.524 O144 S72 -","12","0.666667","","Paula Morehouse; Md. Alamgir Hossain; José M. Llinares; Douglas Powell; Kristin Bowman-James","A Ditopic Azacryptate Proton Cage","Inorganic Chemistry","2003","42","","8131","8133","10.1021/ic034972u","","","0.71073","MoKα","","0.1419","0.0624","","","0.1883","0.2124","","","","","","0.91","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4313004","14.978","0.003","14.978","0.003","23.939","0.006","90","","90","","120","","4651","1.8","243","2","243","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H31 Cl3 N4 O6 -","- C33 H30 N4 O6 -","- C198 H180 N24 O36 -","6","0.333333","","Joseph M. Tanski; Gerard Parkin","Tantalum Amido and Imido Complexes Supported byTris[(2-indolyl)methyl]amine, a Tetradentate Trianionic Ligand with Reduced π-Donor Character","Inorganic Chemistry","2003","42","","264","266","10.1021/ic026182a","","","0.71073","MoKα","","0.1755","0.0639","","","0.1503","0.1869","","","","","","1.024","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313198","16.458","0.002","16.458","0.002","47.153","0.009","90","","90","","120","","11061","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 O12 Ru3 S -","- C30 H42 O12 Ru3 S -","- C360 H504 O144 Ru36 S12 -","12","0.666667","","Srikanta Patra; Biplab Mondal; Biprajit Sarkar; Mark Niemeyer; Goutam Kumar Lahiri","First Example of μ3-Sulfido Bridged Mixed-Valent Triruthenium Complex Triangle RuIII2RuII(O,O-acetylacetonate)3(μ-O,O,γ-C-acetylacetonate)3(μ3-S) (1) Incorporating Simultaneous O,O- and γ-C-Bonded Bridging Acetylacetonate Units. Synthesis, Crystal Structure, and Spectral and Redox Properties","Inorganic Chemistry","2003","42","","1322","1327","10.1021/ic026221i","","","0.71073","MoKα","","0.1108","0.0617","","","0.1007","0.1168","","","","","","1.041","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4313298","15.8616","0.0002","15.8616","0.0002","25.0846","0.0005","90","","90","","120","","5465.52","0.15","160","2","160","2","","","","","","","synthetic","6","R -3 :H","-R 3","148","","","","- C48 H102 Cr2 Cu3 N30 O18 -","- C48 H102 Cr2 Cu3 N30 O18 -","- C144 H306 Cr6 Cu9 N90 O54 -","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","","0.0337","0.0302","","0.0828","0.0771","","","","1.072","1.052","1.052","","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313301","19.4834","0.0002","19.4834","0.0002","37.3386","0.0006","90","","90","","120","","12274.9","0.3","146","2","146","2","","","","","","","synthetic","7","R -3 :H","-R 3","148","","","","- C72 H192 Br12 Cr8 N48 Ni6 O36 -","- C72 H120 Br11.98 Cr8 N48 Ni6 O35.94 -","- C216 H360 Br35.94 Cr24 N144 Ni18 O107.82 -","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","","0.0998","0.0693","","0.2032","0.1811","","","","1.042","1.102","1.102","","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313303","19.2757","0.0013","19.2757","0.0013","37.008","0.003","90","","90","","120","","11908.2","1.5","159","2","159","2","","","","","","","synthetic","7","R -3 :H","-R 3","148","","","","- C76 H198 Br12 Co8 Cu6 N48 O36 -","- C78 H120 Br12.04 Co8 Cu6 N48 O34.02 -","- C234 H360 Br36.12 Co24 Cu18 N144 O102.06 -","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","","0.0907","0.0578","","0.174","0.1506","","","","1.041","1.088","1.088","","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313355","15.253","0.002","15.253","0.002","36.565","0.007","90","","90","","120","","7367","2","293","2","91","2","","","","","","","","6","R -3 :H","-R 3","148","1","","","- C15 H11 Au0.33 Cl3.33 N P -","- C15 H11 Au0.333333 Cl3.33333 N P -","- C270 H198 Au6 Cl60 N18 P18 -","18","1","","Vincent J. Catalano; Mark A. Malwitz; Stephen J. Horner; John Vasquez","Three- and Four-Coordinate Gold(I) Complexes of 3,6-Bis(diphenylphosphino)pyridazine: Monomers, Polymers, and a Metallocryptand Cage","Inorganic Chemistry","2003","42","","2141","2148","10.1021/ic020601m","","","0.71073","MoKα","","0.0253","0.0243","","","0.0604","0.0615","","","","","","1.037","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313622","21.683","0.003","21.683","0.003","13.865","0.004","90","","90","","120","","5645","2","298","2","298","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H84 Cl Cu8 F6 O12 P7 Se12 -","- C36 H84 Cl Cu8 F6 O12 P7 Se12 -","- C108 H252 Cl3 Cu24 F18 O36 P21 Se36 -","3","0.166667","","C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Hsiu-Chih Chen; Hsueh; Ju-Chung Wang","Novel Chloride-Centered Discrete CuI8 Cubic Clusters Containing Diselenophosphate Ligands. Syntheses and Structures of {Cu8(μ8-Cl)[Se2P(OR)2]6}(PF6) (R = Et, Pr,iPr)1","Inorganic Chemistry","2003","42","","3216","3220","10.1021/ic020732n","","","0.71073","MoKα","","0.0995","0.0683","","","0.1705","0.198","","","","","","1.062","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313818","21.3094","0.0004","21.3094","0.0004","17.6357","0.0003","90","","90","","120","","6935.3","0.2","180.2","","180.2","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H30 Cl10 P4 Pd2 -","- C12 H30 Cl10 P4 Pd2 -","- C108 H270 Cl90 P36 Pd18 -","9","0.5","","Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James","Solution Behavior and Structural Diversity of Bis(dialkylphosphino)methane Complexes of Palladium","Inorganic Chemistry","2003","42","","4117","4126","10.1021/ic030048o","","","0.7107","MoKα","","0.0542","0.032","","0.0576","","0.052","","","1.467","","","1.467","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313988","14.25","0.002","14.25","0.002","26.738","0.004","90","","90","","120","","4702.1","1.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H43 Al N2 O3 -","- C35.01 H42.03 Al N2 O3 -","- C210.06 H252.18 Al6 N12 O18 -","6","0.333333","","Youngjo Kim; John G. Verkade","The First Example of a Monomeric Alumatrane","Inorganic Chemistry","2003","42","","4804","4806","10.1021/ic034444i","","","0.71073","MoKα","","0.0648","0.0525","","","0.138","0.1507","","","","","","1.032","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4314020","13.646","0.006","13.646","0.006","47.73","0.03","90","","90","","120","","7697","7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H50 Cl2 N4 P3 V -","- C56.48 H45 Cl2 N3 P3 V -","- C338.88 H270 Cl12 N18 P18 V6 -","6","0.333333","","Sarah B. Hawkeswood; Douglas W. Stephan","Synthesis and Characterization of Vanadium(V)-Phosphinimide Complexes","Inorganic Chemistry","2003","42","","5429","5433","10.1021/ic030151d","","","0.71073","MoKα","","0.0758","0.0365","","","0.0974","0.1217","","","","","","0.994","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314112","13.7507","0.0007","13.7507","0.0007","74.763","0.006","90","","90","","120","","12242.4","1.3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H66 Cl6 Cu6 N12 O45 -","- C48 H48 Cl5.99 Cu6 N12 O44.96 -","- C288 H288 Cl35.94 Cu36 N72 O269.76 -","6","0.333333","","Xiaobai Wang; Jagadese J. Vittal","Nature of the Reactants and Influence of Water on the Supramolecular Assembly","Inorganic Chemistry","2003","42","","5135","5142","10.1021/ic0344970","","","0.71073","MoKα","","0.1149","0.0873","","","0.2548","0.2719","","","","","","1.076","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314149","12.438","0.0014","12.438","0.0014","14.5511","0.0018","90","","90","","120","","1949.5","0.4","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H24 Fe N14 O6 -","- C18 H24 Fe N14 O6 -","- C54 H72 Fe3 N42 O18 -","3","0.166667","","Graham Carver; Philip L. W. Tregenna-Piggott; Anne-Laure Barra; Antonia Neels; John A. Stride","Spectroscopic and Structural Characterization of the [Fe(imidazole)6]2+ Cation","Inorganic Chemistry","2003","42","","5771","5777","10.1021/ic034110t","","","0.71073","MoKα","","0.0287","0.027","","","0.0695","0.0702","","","","","","1.078","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314180","9.0042","0.0002","9.0042","0.0002","9.1898","0.0003","90","","90","","120","","645.25","0.03","173","2","433","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ca6 Cr2 H2 N6 -","- Ca6 Cr2 H2 N6 -","- Ca18 Cr6 H6 N18 -","3","0.166667","","Mark S. Bailey; Mark N. Obrovac; Emilie Baillet; Thomas K. Reynolds; David B. Zax; Francis J. DiSalvo","Ca6[Cr2N6]H, the First Quaternary Nitride-Hydride","Inorganic Chemistry","2003","42","","5572","5578","10.1021/ic0343206","","","0.71073","MoKα","","0.043","0.037","","","0.0799","0.0822","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314373","23.847","0.003","23.847","0.003","42.982","0.003","90","","90","","120","","21168","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H48 Dy2 N6 O19 -","- C38 H48 Dy2 N6 O19 -","- C684 H864 Dy36 N108 O342 -","18","1","","Jean-Pierre Costes; Françoise Dahan; Franck Nicodème","Structure-Based Description of a Step-by-Step Synthesis of Homo- and Heterodinuclear (4f, 4f') Lanthanide Complexes","Inorganic Chemistry","2003","42","","6556","6563","10.1021/ic034564q","","","0.71073","MoKα","","0.0421","0.0248","","","0.032","0.0492","","","","","","0.985","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314378","29.007","0.003","29.007","0.003","37.806","0.005","90","","90","","120","","27548","5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C59.33 H52 F6 Fe2 N8 O9.33 S2 -","- C59.3267 H52 F6 Fe2 N8 O9.33 S2 -","- C1067.88 H936 F108 Fe36 N144 O167.94 S36 -","18","1","","Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard","Modeling Features of the Non-Heme Diiron Cores in O2-Activating Enzymes through the Synthesis, Characterization, and Oxidation of 1,8-Naphthyridine-Based Complexes","Inorganic Chemistry","2003","42","","6447","6457","10.1021/ic0345976","","","0.71073","MoKα","","0.0853","0.0627","","","0.1639","0.1898","","","","","","1.125","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314383","47.5116","0.0012","47.5116","0.0012","17.9975","0.0003","90","","90","","120","","35183.7","1.4","230","2","230","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C82 H101 N4 P Zn -","- C82 H101 N4 P Zn -","- C1476 H1818 N72 P18 Zn18 -","18","1","","Eugen Stulz; Sonya M. Scott; Yiu-Fai Ng; Andrew D. Bond; Simon J. Teat; Scott L. Darling; Neil Feeder; Jeremy K. M. Sanders","Construction of Multiporphyrin Arrays Using Ruthenium and Rhodium Coordination to Phosphines","Inorganic Chemistry","2003","42","","6564","6574","10.1021/ic034699w","","","0.7107","MoKα","","0.1287","0.0937","","","0.2656","0.2969","","","","","","1.033","","","","has coordinates,has disorder","179216","2020-10-21","18:00:00",""
"4314443","20.3517","0.0004","20.3517","0.0004","99.087","0.003","90","","90","","120","","35542.6","1.5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C254 H253 Ag14 Cl2 O5 P8 Se12.5 Sn -","- C253.92 H252.84 Ag14 Cl1.99 O4.98 P8 Se12.5 Sn -","- C1523.52 H1517.04 Ag84 Cl11.94 O29.88 P48 Se75 Sn6 -","6","0.333333","","Hari Pada Nayek; Werner Massa; Stefanie Dehnen","Presence or Absence of a Central Se Atom in Silver Selenide/Selenolate Clusters with Halite Topology: Syntheses and Properties of [(Ph3PAg)8Ag6(μ6-Se)1-x/2(SePh)12]x+ (x= 0, 1)","Inorganic Chemistry","2010","49","","144","149","10.1021/ic901629k","","","0.71073","MoKα","","0.193","0.0956","","","0.2247","0.2484","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314572","62.828","0.004","62.828","0.004","9.807","0.0013","90","","90","","120","","33525","5","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris(4-pyridylmethyl)cyclotriguaiacylene","","- C42 H39 N3 O6 -","- C42 H39 N3 O6 -","- C1512 H1404 N108 O216 -","36","2","","Tanya K. Ronson; Christopher Carruthers; Julie Fisher; Thierry Brotin; Lindsay P. Harding; Pierre J. Rizkallah; Michaele J. Hardie","Tripodal 4-Pyridyl-Derived Host Ligands and Their Metallo-Supramolecular Chemistry: Stella Octangula and Bowl-Shaped Assemblies","Inorganic Chemistry","2010","49","","675","685","10.1021/ic901972h","","","0.71073","MoKα","","0.1156","0.0598","","","0.18","0.2249","","","","","","1.08","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4315375","27.5892","0.001","27.5892","0.001","35.5762","0.0017","90","","90","","120","","23451.4","1.6","113","2","113","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H58.33 Ag2 N12 O3.17 -","- C51 H54 Ag2 N12 O3.16667 -","- C918 H972 Ag36 N216 O57 -","18","1","","Jiyong Hu; Jin'an Zhao; Qianqian Guo; Hongwei Hou; Yaoting Fan","Construction of a Ag12 High-Nuclearity Metallamacrocyclic 3D Framework","Inorganic Chemistry","2010","49","","3679","3681","10.1021/ic902450c","","","0.7107","MoKα","","0.0716","0.0689","","","0.1643","0.166","","","","","","1.221","","","","has coordinates,has disorder","179233","2020-10-21","18:00:00",""
"4315508","28.56","0.0007","28.56","0.0007","12.207","0.0004","90","","90","","120","","8623","0.4","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","2","","","- C30 H46 Li2 O4 P2 S4 -","- C30 H46 Li2 O4 P2 S4 -","- C270 H414 Li18 O36 P18 S36 -","9","0.5","","Robert P. Davies; M. Giovanna Martinelli; Laura Patel; Andrew J. P. White","Facile Synthesis of Bis(dichalcogenophosphinate)s and a Remarkable [Li8(OH)6]2+ Polyhedron","Inorganic Chemistry","2010","49","","4626","4631","10.1021/ic100272y","","","0.71073","MoKα","","0.1342","0.0778","","","0.2023","0.2475","","","","","","1.059","","","","has coordinates,has disorder","179235","2020-10-21","18:00:00",""
"4315556","11.1963","0.0012","11.1963","0.0012","30.16","0.006","90","","90","","120","","3274.2","0.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 Hg8 O12 S13 -","- C12 H36 Cl3 Hg8 O11.94 S13 -","- C36 H108 Cl9 Hg24 O35.82 S39 -","3","0.166667","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Thiomethoxychalcone-Functionalized Ferrocene Ligands as Selective Chemodosimeters for Mercury(II): Single-Crystal X-ray Structural Signature of the [Hg8(μ8-S)(SCH3)12]2+ Cluster","Inorganic Chemistry","2010","49","","4447","4457","10.1021/ic902300c","","","0.71073","MoKα","","0.0453","0.0335","","","0.077","0.082","","","","","","1.072","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315665","32.1587","0.0012","32.1587","0.0012","14.8229","0.0006","90","","90","","120","","13275.8","0.9","253","2","253","2","","","","","","","","5","R -3 :H","-R 3","148","Mn3BPTC","Mn3BPTC","","- C36 H28 Mn3 N2 O16 -","- C36 H28 Mn3 N2 O16 -","- C324 H252 Mn27 N18 O144 -","9","0.5","","Choong-Sun Lim; Jennifer K. Schnobrich; Antek G. Wong-Foy; Adam J. Matzger","Metal-Dependent Phase Selection in Coordination Polymers Derived from a C2v-Symmetric Tricarboxylate","Inorganic Chemistry","2010","49","","5271","5275","10.1021/ic100378p","","","1.54187","CuKα","","0.2086","0.1321","","","0.3575","0.4133","","","","","","1.082","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4315868","27.72","0.003","27.72","0.003","9.7135","0.0009","90","","90","","120","","6463.9","1.2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25.5 H19.5 Co N10.5 O0.5 -","- C25.5 H19.5 Co N10.5 O0.5 -","- C229.5 H175.5 Co9 N94.5 O4.5 -","9","0.5","","Ai-Yun Fu; Yu-Lin Jiang; Yao-Yu Wang; Xiao-Nan Gao; Guo-Ping Yang; Lei Hou; Qi-Zhen Shi","DMF/H2O Volume Ratio Controls the Syntheses and Transformations of a Series of Cobalt Complexes Constructed Using a Rigid Angular Multitopic Ligand","Inorganic Chemistry","2010","49","","5495","5502","10.1021/ic902548f","","","0.71073","MoKα","","0.1326","0.056","","","0.1457","0.1849","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4316020","34.4488","0.0005","34.4488","0.0005","27.7148","0.0006","90","","90","","120","","28483.3","0.8","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H51 Cl3 D N3 P4 -","- C64 H51 Cl3 D N3 P4 -","- C1152 H918 Cl54 D18 N54 P72 -","18","1","","Jeroen Wassenaar; Maxime A. Siegler; Anthony L. Spek; Bas de Bruin; Joost N. H. Reek; Jarl Ivar van der Vlugt","Versatile New C3-Symmetric Tripodal Tetraphosphine Ligands; Structural Flexibility to Stabilize CuI and RhI Species and Tune Their Reactivity","Inorganic Chemistry","2010","49","","6495","6508","10.1021/ic100221w","","","0.71073","MoKα","","0.0754","0.0515","","","0.1279","0.1377","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4316378","17.2952","0.0003","17.2952","0.0003","30.7825","0.001","90","","90","","120","","7974.2","0.3","150","1","150","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C104 H116 Ni6 O32 -","- C104 H115.92 Ni6 O31.98 -","- C312 H347.76 Ni18 O95.94 -","3","0.166667","","Katarzyna Rudzka; Katarzyna Grubel; Atta M. Arif; Lisa M. Berreau","Hexanickel Enediolate Cluster Generated in an Acireductone Dioxygenase Model Reaction","Inorganic Chemistry","2010","49","","7623","7625","10.1021/ic100775m","","","0.71073","MoKα","","0.0782","0.0501","","","0.1141","0.1241","","","","","","1.069","","","","has coordinates,has disorder","179243","2020-10-21","18:00:00",""
"4316484","53.192","0.005","53.192","0.005","17.1","0.003","90","","90","","120","","41901","9","90","2","90","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C224 H204 Au12 O87 P14 W24 -","- C216 H180 Au12 O83 P14 W24 -","- C1296 H1080 Au72 O498 P84 W144 -","6","0.333333","","Kenji Nomiya; Takuya Yoshida; Yoshitaka Sakai; Arisa Nanba; Shinichiro Tsuruta","Intercluster Compound between a Tetrakis{triphenylphosphinegold(I)}oxonium Cation and a Keggin Polyoxometalate (POM): Formation during the Course of Carboxylate Elimination of a Monomeric Triphenylphosphinegold(I) Carboxylate in the Presence of POMs","Inorganic Chemistry","2010","49","","8247","8254","10.1021/ic100530h","","","0.71073","MoKα","","0.0843","0.0559","","","0.1613","0.1723","","","","","","0.978","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316757","32.93","0.02","32.93","0.02","74.55","0.18","90","","90","","120","","70010","18","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C158 H592 Mo132 N80 O520 -","- C140 Mo132 N16.02 O601.94 -","- C420 Mo396 N48.06 O1805.82 -","3","0.166667","","Toshihiro Yamase; Shun Kumagai; Petra V. Prokop; Eri Ishikawa; Adrian-Raul Tomsa","{Mo96La8} Eggshell Ring and Self-Assembly to {Mo132} Keplerate through Mo-blue Intermediate, Involved in UV-Photolysis of [Mo7O24]6-/Carboxylic Acid System at pH 4","Inorganic Chemistry","2010","49","","9426","9437","10.1021/ic101027d","","","0.7107","MoKα","","","0.142","","","","0.233","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316844","19.94","0.0009","19.94","","9.5728","0.0006","90","","90","","120","","3296.2","0.3","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 N6 O27 P6 Zr2 -","- C18 N6 O27 P6 Zr2 -","- C54 N18 O81 P18 Zr6 -","3","0.166667","","Marco Taddei; Ferdinando Costantino; Riccardo Vivani","Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups","Inorganic Chemistry","2010","49","","9664","9670","10.1021/ic1014048","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.04626","","4.04","","","","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316998","29.758","0.002","29.758","0.002","11.824","0.0012","90","","90","","120","","9067.8","1.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 Cu6 F1.35 N18 O7 -","- C36 H36 Cu6 F1.35 N18 O7 -","- C216 H216 Cu36 F8.1 N108 O42 -","6","0.333333","","Albert Escuer; Beatriz Cordero; Mercè Font-Bardia; Teresa Calvet","Anionic Tuning of the Dimensionality in Copper Oximato Chemistry","Inorganic Chemistry","2010","49","","9752","9754","10.1021/ic101636r","","x-ray","0.7107","MoKα","","0.0906","0.0705","","","0.2126","0.2334","","","","","","1.461","","","","has coordinates","288178","2023-12-08","09:51:07",""
"4317142","43.571","0.006","43.571","0.006","7.718","0.0015","90","","90","","120","","12689","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","[Cu(pmc)2].1/6(Toluene)","","","- C11.17 H7.33 Cu N4 O4 -","- C11.155 H7.32 Cu N4 O4 -","- C401.58 H263.52 Cu36 N144 O144 -","36","2","","Jinwoo Seo; Narae Jin; Hyungphil Chun","Topologies of Metal-Organic Frameworks Based on Pyrimidine-5-carboxylate and Unexpected Gas-Sorption Selectivity for CO2","Inorganic Chemistry","2010","49","","10833","10839","10.1021/ic1012523","","","0.72","synchrotron","","0.17","0.1459","","","0.4305","0.46","","","","","","1.863","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4317144","21.466","0.002","21.466","0.002","7.7719","0.0011","90","","90","","120","","3101.4","0.6","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","[Cu(pmc)2].2/3(DMF)","","","- C12 H10.67 Cu N4.67 O4.67 -","- C12 H6 Cu N4.66667 O4.66 -","- C108 H54 Cu9 N42 O41.94 -","9","0.5","","Jinwoo Seo; Narae Jin; Hyungphil Chun","Topologies of Metal-Organic Frameworks Based on Pyrimidine-5-carboxylate and Unexpected Gas-Sorption Selectivity for CO2","Inorganic Chemistry","2010","49","","10833","10839","10.1021/ic1012523","","","0.71073","MoKα","","0.0481","0.0463","","","0.1091","0.1097","","","","","","1.43","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317145","21.593","0.003","21.593","0.003","7.7402","0.0013","90","","90","","120","","3125.4","0.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","[Cu(pmc)2]","","","- C10 H6 Cu N4 O4 -","- C10 H6 Cu N4 O4 -","- C90 H54 Cu9 N36 O36 -","9","0.5","","Jinwoo Seo; Narae Jin; Hyungphil Chun","Topologies of Metal-Organic Frameworks Based on Pyrimidine-5-carboxylate and Unexpected Gas-Sorption Selectivity for CO2","Inorganic Chemistry","2010","49","","10833","10839","10.1021/ic1012523","","","0.71073","MoKα","","0.0634","0.0571","","","0.1173","0.1188","","","","","","1.333","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4317170","18.542","0.003","18.542","","19.724","0.004","90","","90","","120","","5872.7","1.5","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H84 Cu6 Fe N12 O18 -","- C42 H84 Cu6 Fe N12 O18 -","- C126 H252 Cu18 Fe3 N36 O54 -","3","0.166667","","Yauhen Y. Karabach; M. Fátima C. Guedes da Silva; Maximilian N. Kopylovich; Beatriz Gil-Hernández; Joaquin Sanchiz; Alexander M. Kirillov; Armando J. L. Pombeiro","Self-Assembled 3D Heterometallic CuII/FeII Coordination Polymers with Octahedral Net Skeletons: Structural Features, Molecular Magnetism, Thermal and Oxidation Catalytic Properties","Inorganic Chemistry","2010","49","","11096","11105","10.1021/ic101668f","","","0.71073","MoKα","","0.0422","0.0396","","","0.0965","0.0978","","","","","","1.156","","","","has coordinates","179251","2020-10-21","18:00:00",""
"4317258","30.7871","0.0003","30.7871","0.0003","27.0562","0.0004","90","","90","","120","","22209.3","0.4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis[3{5}-(pyrid-2-yl)-5{3}-(tertbutyl)pyrazolido]tetrahydroxo- dimethoxo-heptacopper(II) dichloride dichloromethane solvate (6/5.7)","","- C79.7 H105.4 Cl13.4 Cu7 N18 O6 -","- C75.4 H96.8 Cl3.13333 Cu7 N18 O6 -","- C678.6 H871.2 Cl28.2 Cu63 N162 O54 -","9","0.5","","James J. Henkelis; Leigh F. Jones; Marcelo P. de Miranda; Colin A. Kilner; Malcolm A. Halcrow","Two Heptacopper(II) Disk Complexes with a [Cu7(μ3-OH)4(μ-OR)2]8+ Core","Inorganic Chemistry","2010","49","","11127","11132","10.1021/ic1020093","","","0.71073","MoKα","","0.127","0.0725","","","0.2001","0.2269","","","","","","0.973","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317357","9.2149","0.0011","9.2149","0.0011","25.73","0.008","90","","90","","120","","1892.1","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ga3 H13 Li2 O24 Te6 -","- Ga3 H12 Li2 O24 Te6 -","- Ga9 H36 Li6 O72 Te18 -","3","0.166667","","Fang Kong; Xiang Xu; Jiang-Gao Mao","A Series of New Ternary and Quaternary Compounds in the LiI-GaIII-TeIV-O System","Inorganic Chemistry","2010","49","","11573","11580","10.1021/ic101843g","","","0.71073","MoKα","","0.045","0.0353","","","0.0847","0.0903","","","","","","1.118","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4317358","11.3343","0.0004","11.3343","0.0004","26.7992","0.0015","90","","90","","120","","2981.5","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga8.67 Li6 O44 Te14 -","- Ga8.64 Li6 O44 Te14 -","- Ga25.92 Li18 O132 Te42 -","3","0.166667","","Fang Kong; Xiang Xu; Jiang-Gao Mao","A Series of New Ternary and Quaternary Compounds in the LiI-GaIII-TeIV-O System","Inorganic Chemistry","2010","49","","11573","11580","10.1021/ic101843g","","","0.71073","MoKα","","0.0317","0.0296","","","0.0697","0.0707","","","","","","1.191","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4317389","10.7483","0.0008","10.7483","0.0008","35.395","0.004","90","","90","","120","","3541.2","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H56 I N12 Na -","- C44 H56 I N12 Na -","- C132 H168 I3 N36 Na3 -","3","0.166667","","Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei","Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II)","Inorganic Chemistry","2002","41","","19","27","10.1021/ic010690n","","","0.71073","MoKα","","0.0262","0.0259","","","0.0683","0.0686","","","","","","1.084","","","","has coordinates","179253","2020-10-21","18:00:00",""
"4317469","6.9564","0.0013","6.9564","0.0013","37.063","0.01","90","","90","","120","","1553.2","0.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Potassium Irontricyanidetricarbonyl","","- C6 Fe K N3 O3 -","- C6 Fe K N3 O3 -","- C36 Fe6 K6 N18 O18 -","6","0.333333","","Jianfeng Jiang; Stephen A. Koch","fac-[FeII(CN)3(CO)3]- and cis-[FeII(CN)4(CO)2]2-: New Members of the Class of [FeII(CN)x(CO)y] Compounds","Inorganic Chemistry","2002","41","","158","160","10.1021/ic015604y","","","0.71073","MoKα","","0.0367","0.0328","","","0.0821","0.0841","","","","","","1.068","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317904","30.073","0.003","30.073","","13.303","0.004","90","","90","","120","","10419","3","183.2","","183.2","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C114 H160 Cl8 Fe Mn6 N36 O37 -","- C114 H160 Cl8.00002 Fe Mn6 N36 O33 -","- C342 H480 Cl24.0001 Fe3 Mn18 N108 O98.9999 -","3","0.166667","","Richard J. Parker; Leone Spiccia; Boujemaa Moubaraki; Keith S. Murray; David C. R. Hockless; A. David Rae; Anthony C. Willis","Structure and Magnetism of Heptanuclear Complexes Formed on Encapsulation of Hexacyanoferrate(II) with the Mn(II) and Ni(II) Complexes of 1,4-Bis(2-pyridylmethyl)-1,4,7-triazacyclononane","Inorganic Chemistry","2002","41","","2489","2495","10.1021/ic010711d","","","1.5418","CuKα","","0.1314","0.0655","","0.107","","0.0975","","","1.5719","","","1.8992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317907","17.19","0.0007","17.19","0.0007","25.0721","0.0014","90","","90","","120","","6416.1","0.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H33 Ag Cl F3 N3 O3 -","- C27.12 H22 Ag2 Cl0.291333 F6 N2 O4 -","- C244.08 H198 Ag18 Cl2.622 F54 N18 O36 -","9","0.5","","Eric Bosch; Charles L. Barnes","One- and Two-Dimensional Silver-Coordination Networks Containing π-Sandwiched Silver-Silver Interactions","Inorganic Chemistry","2002","41","","2543","2547","10.1021/ic010795q","","","0.71073","MoKα","","0.0354","0.0268","","","0.0656","0.0689","","","","","","1.043","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4317930","15.7457","0.0013","15.7457","0.0013","14.949","0.002","90","","90","","120","","3209.7","0.6","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","Compound 1","","- C42 H48 Al6 N6 -","- C42 H48 Al6 N6 -","- C126 H144 Al18 N18 -","3","0.166667","","N. Dastagiri Reddy; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Reactions of AlH3.NMe3 with Nitriles: Structural Characterization and Substitution Reactions of Hexameric Aluminum Imides","Inorganic Chemistry","2002","41","","2374","2378","10.1021/ic011101g","","","0.71073","MoKα","","0.0365","0.0334","","0.089","0.0861","","","","1.12","1.13","1.13","","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4318043","25.16","0.002","25.16","0.002","23.382","0.005","90","","90","","120","","12818","3","213","2","213","2","","","","","","","synthesized","7","R -3 :H","-R 3","148","","{Tris[tetrakis(trifluoroacetato)dirhodium(II,II)]-tris(4'-pyridyl) methylsilane-tris(η1-benzene)}, benzene solvate","","- C64 H39 F36 N3 O24 Rh6 Si -","- C63.97 H35.97 F36 N3 O24 Rh6 Si -","- C383.82 H215.82 F216 N18 O144 Rh36 Si6 -","6","0.333333","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina; Marion Schmitz; Peter J. Stang","Supramolecular Assemblies of Dimetal Complexes with Polydentate N-Donor Ligands: From a Discrete Pyramid to a 3D Channel Network","Inorganic Chemistry","2002","41","","2903","2908","10.1021/ic020051s","","","0.71073","MoKα","","0.0551","0.0475","","0.124","0.1132","","","","1.051","1.034","1.034","","","","","has coordinates,has disorder","179260","2020-10-21","18:00:00",""
"4318069","31.836","0.005","31.836","0.005","13.69","0.003","90","","90","","120","","12016","4","203","2","203","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis-m-2,6-dichlorophenoxy-bis[2,6-dichlorophenoxy (dioxo)bis(tetrahydrofuran)uranium(VI)]","","- C40 H44 Cl8 O12 U2 -","- C40 H44 Cl8 O12 U2 -","- C360 H396 Cl72 O108 U18 -","9","0.5","","Marianne P. Wilkerson; Carol J. Burns; David E. Morris; Robert T. Paine; Brian L. Scott","Steric Control of Substituted Phenoxide Ligands on Product Structures of Uranyl Aryloxide Complexes","Inorganic Chemistry","2002","41","","3110","3120","10.1021/ic011080q","","","0.71073","MoKα","","0.092","0.0496","","","0.1077","0.1232","","","","","","1.045","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318262","57.982","0.0012","57.982","0.0012","16.5311","0.0004","90","","90","","120","","48130.3","1.8","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H90 B3 F12 N12 O5 Pd3 -","- C72 H90 B3 F12 N12 O5 Pd3 -","- C1296 H1620 B54 F216 N216 O90 Pd54 -","18","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Molecular Triangle of Palladium(II) and Its Anion Binding Properties","Inorganic Chemistry","2002","41","","3967","3974","10.1021/ic020227q","","","0.71073","MoKα","","0.2335","0.0863","","","0.2029","0.2561","","","","","","1.026","","","","has coordinates,has disorder","179262","2020-10-21","18:00:00",""
"4318264","58.3769","0.0008","58.3769","0.0008","16.4532","0.0002","90","","90","","120","","48558.3","1.1","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C74.25 H94.5 Cl3 N12 O17.75 Pd3 -","- C74.25 H94.5 Cl3 N12 O17.75 Pd3 -","- C1336.5 H1701 Cl54 N216 O319.5 Pd54 -","18","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Molecular Triangle of Palladium(II) and Its Anion Binding Properties","Inorganic Chemistry","2002","41","","3967","3974","10.1021/ic020227q","","","0.71073","MoKα","","0.1164","0.0714","","","0.2088","0.2404","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4318405","23.142","0.002","23.142","0.002","17.5","0.004","90","","90","","120","","8117","2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H78 Cd3 Cl4 N2 O22 -","- C31 H72 Cd3 Cl4 N12 O22 -","- C186 H432 Cd18 Cl24 N72 O132 -","6","0.333333","","Xiangyang Liang; John A. Parkinson; Simon Parsons; Michael Weishäupl; Peter J. Sadler","Cadmium Cyclam Complexes: Interconversion of Cis and Trans Configurations and Fixation of CO2","Inorganic Chemistry","2002","41","","4539","4547","10.1021/ic0255050","","","0.71073","MoKα","","0.1297","0.066","","","0.1169","0.1444","","","","","","1.015","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4318425","21.5147","0.0007","21.5147","0.0007","61.015","0.004","90","","90","","120","","24459","2","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","[Ru((DPPBT)~2~CH~2~)(DPPBT)]Cl","[(bis-(2-diphenylphosphinothiaphenolato)methane) (2-diphenylphosphinothiaphenolato)ruthenium(II)]chloride","","- C57.5 H54 Cl3 O3 P3 Ru S3 -","- C57.16 H46 Cl2.32 O2.66667 P3 Ru S3 -","- C1028.88 H828 Cl41.76 O48 P54 Ru18 S54 -","18","1","","Craig A. Grapperhaus; Selma Poturovic; Mark S. Mashuta","Dichloromethane Alkylates a Trithiolato-Ruthenium Complex to Yield a Methylene-Bridged Thioether Core. Synthesis and Structural Comparison to the Thiolato-Ruthenium Precursor","Inorganic Chemistry","2002","41","","4309","4311","10.1021/ic025735e","","","0.71073","MoKα","","0.076","0.051","","","0.141","0.152","","","","","","1.04","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318568","14.469","0.0002","14.469","0.0002","16.674","0.0002","90","","90","","120","","3023.06","0.07","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H30 N3 O6 Sb -","- C15 H30 N3 O6 Sb -","- C90 H180 N18 O36 Sb6 -","6","0.333333","","Graeme A. Horley; Mary F. Mahon; Kieran C. Molloy; Peter W. Haycock; Christopher P. Myers","Synthesis and Characterization of Novel Homoleptic N,N-Dialkylcarbamato Complexes of Antimony: Precursors for the Deposition of Antimony Oxides","Inorganic Chemistry","2002","41","","5052","5058","10.1021/ic0202716","","","0.71073","MoKα","","0.0211","0.0196","","","0.046","0.0467","","","","","","1.114","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4318742","23.5814","0.0009","23.5814","0.0009","43.376","0.002","90","","90","","120","","20889.1","1.5","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C162 H378 Cu20 Hg15 P18 S25 -","- C162 Cu19.98 Hg15.02 P18 S25 -","- C486 Cu59.94 Hg45.06 P54 S75 -","3","0.166667","","Diem T. T. Tran; Lianne M. C. Beltran; Collin M. Kowalchuk; Nicholas R. Trefiak; Nicholas J. Taylor; John F. Corrigan","Ternary Nanoclusters of CuHgS, CuHgSe, and CuInS","Inorganic Chemistry","2002","41","","5693","5698","10.1021/ic0110528","","","0.71073","MoKα","","0.1274","0.0709","","","0.2167","0.2298","","","","","","1.102","","","","has coordinates,has disorder","179267","2020-10-21","18:00:00",""
"4318743","23.783","0.0006","23.783","0.0006","43.2493","0.0009","90","","90","","120","","21185.7","0.9","200","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C162 H378 Cu20 Hg15 P18 Se25 -","- C162 Cu20.04 Hg15.02 P18 Se25 -","- C486 Cu60.12 Hg45.06 P54 Se75 -","3","0.166667","","Diem T. T. Tran; Lianne M. C. Beltran; Collin M. Kowalchuk; Nicholas R. Trefiak; Nicholas J. Taylor; John F. Corrigan","Ternary Nanoclusters of CuHgS, CuHgSe, and CuInS","Inorganic Chemistry","2002","41","","5693","5698","10.1021/ic0110528","","","0.71073","MoKα","","0.1145","0.0746","","","0.2094","0.23","","","","","","1.054","","","","has coordinates,has disorder","179267","2020-10-21","18:00:00",""
"4318793","29.76","0.0003","29.76","0.0003","9.5745","0.0002","90","","90","","120","","7343.66","0.19","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 N2 O12.33 P2 V3 -","- C10 H8 N2 O12.3333 P2 V3 -","- C180 H144 N36 O222 P36 V54 -","18","1","","Wenbin Yang; Canzhong Lu","Novel Oxovanadium Phosphate Tubule Incorporating 2,2-Bipyridine Ligands: Hydrothermal Synthesis and Crystal Structure of [(VIVO)3(μ5-PO4)2(2,2'-bpy)(μ-OH2)].1/3H2O","Inorganic Chemistry","2002","41","","5638","5640","10.1021/ic0257874","","","0.71073","MoKα","","0.0497","0.037","","","0.0976","0.1151","","","","","","1.148","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318808","14.2585","0.0008","14.2585","0.0008","13.0166","0.0008","90","","90","","120","","2291.8","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H30 Cl12 F N3 -","- C13 H30 Cl12 F N3 -","- C39 H90 Cl36 F3 N9 -","3","0.166667","","Alexander A. Kolomeitsev; German Bissky; Jan Barten; Natalya Kalinovich; Enno Lork; Gerd-Volker Röschenthaler","Hexaalkylguanidinium and 2-(Dialkylamino)-1,3-dimethylimidazolinium Trimethyldifluorosiliconates and Perfluoroalkoxides. Accidental Isolation and Molecular Structure of [C(NMe2)3]+F-.6CH2Cl2","Inorganic Chemistry","2002","41","","6118","6124","10.1021/ic020081v","","","0.71073","MoKα","","0.0562","0.0411","","","0.0954","0.1035","","","","","","1.055","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4318861","16.2434","0.0007","16.2434","0.0007","15.482","0.001","90","","90","","120","","3537.6","0.3","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H39 N4 Sb Si3 -","- C15 H39 N4 Sb Si3 -","- C90 H234 N24 Sb6 Si18 -","6","0.333333","","Pavel L. Shutov; Sergey S. Karlov; Klaus Harms; Daniil A. Tyurin; Andrei V. Churakov; Jörg Lorberth; Galina S. Zaitseva","Synthesis and Characterization of the First Azastibatranes and Azabismatranes","Inorganic Chemistry","2002","41","","6147","6152","10.1021/ic0257423","","","0.71073","MoKα","","0.0206","0.0176","","","0.0451","0.0598","","","","","","1.287","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4318862","16.306","0.002","16.306","0.002","15.46","0.002","90","","90","","120","","3559.9","0.8","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H39 Bi N4 Si3 -","- C15 H39 Bi N4 Si3 -","- C90 H234 Bi6 N24 Si18 -","6","0.333333","","Pavel L. Shutov; Sergey S. Karlov; Klaus Harms; Daniil A. Tyurin; Andrei V. Churakov; Jörg Lorberth; Galina S. Zaitseva","Synthesis and Characterization of the First Azastibatranes and Azabismatranes","Inorganic Chemistry","2002","41","","6147","6152","10.1021/ic0257423","","","0.71073","MoKα","","0.0432","0.0335","","","0.076","0.08","","","","","","1.024","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4319077","13.979","0.002","13.979","","23.869","0.003","90","","90","","120","","4039.4","0.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H33 Fe O18 S3 -","- C12 H33 Fe O18 S3 -","- C72 H198 Fe6 O108 S18 -","6","0.333333","","Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu","Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions","Inorganic Chemistry","2002","41","","6986","6996","10.1021/ic025627s","","","0.71069","MoKα","","0.0411","0.0275","","","0.0722","0.0788","","","","","","1.056","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319078","13.9357","0.0012","13.9357","0.0012","23.701","0.003","90","","90","","120","","3986.2","0.7","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H33 Cr O18 S3 -","- C12 H33 Cr O18 S3 -","- C72 H198 Cr6 O108 S18 -","6","0.333333","","Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu","Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions","Inorganic Chemistry","2002","41","","6986","6996","10.1021/ic025627s","","","0.71073","MoKα","","0.0307","0.0286","","","0.0806","0.0819","","","","","","1.077","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319079","13.9044","0.0016","13.904","","23.799","0.004","90","","90","","120","","3984.6","0.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H33 Al O18 S3 -","- C12 H33 Al O18 S3 -","- C72 H198 Al6 O108 S18 -","6","0.333333","","Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu","Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions","Inorganic Chemistry","2002","41","","6986","6996","10.1021/ic025627s","","","0.71069","MoKα","","0.0491","0.0323","","","0.0857","0.0943","","","","","","1.058","","","","has coordinates","179270","2020-10-21","18:00:00",""
"4319172","13.9921","0.001","13.9921","0.001","25.705","0.002","90","","90","","120","","4358.3","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H62 Cl6 N12 Nd2 O24 -","- C32 H62 Cl6 N12 Nd2 O24 -","- C96 H186 Cl18 N36 Nd6 O72 -","3","0.166667","","Nicholas P. Chatterton; David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams","Influence of the Counteranion on the Formation of Polymeric Networks by Metal Complexes of Hexamethylenebis(acetamide)","Inorganic Chemistry","2001","40","","312","317","10.1021/ic000673i","","","0.71073","MoKα","","0.0422","0.028","","0.0663","0.0611","","","","1.102","1.164","1.164","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319203","17.7058","0.0012","17.7058","0.0012","13.9104","0.0014","90","","90","","120","","3776.6","0.5","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H48 B I13 O12 Zr6 -","- C12 H42 B I13 O12 Zr6 -","- C36 H126 B3 I39 O36 Zr18 -","3","0.166667","","Xiaobing Xie; Jamie N. Jones; Timothy Hughbanks","Excision of Zirconium Iodide Clusters from Highly Cross-Linked Solids","Inorganic Chemistry","2001","40","","522","527","10.1021/ic000651w","","","0.71073","MoKα","","0.0254","0.0222","","","0.0501","0.0512","","","","","","1.046","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319286","20.5594","0.0015","20.5594","0.0015","11.8777","0.0012","90","","90","","120","","4347.9","0.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C62 H80 O6 Zn6 -","- C62 H80 O6 Zn6 -","- C186 H240 O18 Zn18 -","3","0.166667","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.0256","0.0233","","","0.0636","0.0652","","","","","","1.029","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319291","26.4932","0.0014","26.4932","0.0014","27.759","0.002","90","","90","","120","","16873.4","1.8","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C46 H55 As O3 -","- C34 H43 As O3 -","- C612 H774 As18 O54 -","18","1","","Maarten B. Dinger; Michael J. Scott","Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes","Inorganic Chemistry","2001","40","","856","864","10.1021/ic000683j","","","0.71073","MoKα","","0.0602","0.0449","","","0.1151","0.1229","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4319330","24.485","0.003","24.485","0.003","27.103","0.003","90","","90","","120","","14072","3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C39 H106 N12 O47 P6 S3 Sn3 -","- C39 H57 N12 O47 P6 S3 Sn3 -","- C234 H342 N72 O282 P36 S18 Sn18 -","6","0.333333","","José S. Casas; Eduardo E. Castellano; María D. Couce; María S. García-Tasende; Agustín Sánchez; José Sordo; Carmen Taboada; Ezequiel M. Vázquez-López","Reaction of Thiamine Diphosphate Hydrochloride (H3TDPCl) With Methylphenyltin(IV) Dichloride in Water. Molecular and Crystal Structures of the Oxygen-Capped Cluster [{SnMe(HTDP)(OH)}3O](OH).21H2O, in Which Thiamine Diphosphate Coordinates via Its Terminal Phosphate Group","Inorganic Chemistry","2001","40","","946","951","10.1021/ic001088k","","","0.71073","MoKα","","0.1121","0.0562","","","0.1493","0.1716","","","","","","0.952","","","","has coordinates","179273","2020-10-21","18:00:00",""
"4319381","15.4106","0.0008","15.4106","0.0008","10.8142","0.0008","90","","90","","120","","2224.2","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","NDUF-3","","- F31 H28 N7 U6 -","- F31.02 N7 U6 -","- F93.06 N21 U18 -","3","0.166667","","Christopher L. Cahill; Peter C. Burns","Building Unit and Topological Evolution in the Hydrothermal DABCO-U-F System","Inorganic Chemistry","2001","40","","1347","1351","10.1021/ic000998z","","","0.71073","MoKα","","0.0227","0.0185","","","0.0432","0.0442","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319456","15.97","0.003","15.97","0.002","7.783","0.002","90","0.003","90","0.003","120","0.003","1719","0.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","zinc hydroxymethylphosphonate","zinc hydroxymethylphosphonate","","- C H3 O4 P Zn -","- C H3 O4 P Zn -","- C18 H54 O72 P18 Zn18 -","18","1","","Gary B. Hix; Benson M. Kariuki; Simon Kitchin; Maryjane Tremayne","Synthesis and Structural Characterization of Zn(O3PCH2OH), a New Microporous Zinc Phosphonate","Inorganic Chemistry","2001","40","","1477","1481","10.1021/ic000943x","","","0.71069","MoKα","","0.0196","0.0194","","","0.0509","0.051","","","","","","1.255","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319884","14.9903","0.0011","14.9903","0.0011","12.8345","0.0017","90","","90","","120","","2497.6","0.4","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H38 Co7 N6 O20 -","- C18 H38 Co7 N6 O20 -","- C54 H114 Co21 N18 O60 -","3","0.166667","","Ray-Kuang Chiang; Chi-Chun Huang; Ching-Shuei Wur","Hydrothermal Synthesis and Structural Characterization of a Coordination Polymer Containing Heptanuclear Co7(μ3-OH)8 Clusters","Inorganic Chemistry","2001","40","","3237","3239","10.1021/ic010164w","","","0.71073","MoKα","","0.0584","0.0499","","","0.0801","0.0824","","","","","","1.243","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319934","14.551","0.0013","14.551","0.0013","30.608","0.002","90","","90","","120","","5612.4","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H54 In P3 S6 -","- C24 H54 In P3 S6 -","- C144 H324 In6 P18 S36 -","6","0.333333","","Jin-Ho Park; Paul O'Brien; Andrew J. P. White; David J. Williams","Variable Coordination Modes in Dialkyldithiophosphinato Complexes of Group 13 Metals: The X-ray Single Crystal Structures of Tris(diisobutyldithiophosphinato)gallium(III) and -indium(III)","Inorganic Chemistry","2001","40","","3629","3631","10.1021/ic001331f","","","0.71073","MoKα","","0.0414","0.032","","0.0748","0.0704","","","","1.056","1.084","1.084","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320017","28.172","0.002","28.172","0.002","12.59","0.002","90","","90","","120","","8653.5","1.6","296","","296","","","","","","","","","6","R -3 :H","-R 3","148","","Dibromo(4-pyrimidinylnitronylnitroxide)copper(II)","","- C11 H15.6 Br2 Cu N4 O2.3 -","- C11 H15 Br2 Cu N4 O2.3 -","- C198 H270 Br36 Cu18 N72 O41.4 -","18","1","","Junichi Omata; Takayuki Ishida; Daisuke Hashizume; Fujiko Iwasaki; Takashi Nogami","Radical-Copper Wheels: Structure and Magnetism of Hexanuclear Hybrid Arrays","Inorganic Chemistry","2001","40","","3954","3958","10.1021/ic001462g","","","0.71073","MoKα","","0.2323","0.0576","","","0.1024","0.1319","","","","","","0.716","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320074","23.7157","0.0003","23.7157","0.0003","88.5147","0.0005","90","","90","","120","","43114","0.8","156","2","156","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C139.25 H130.5 Ag3 Cs N8.75 O20.75 P6 Sn2 -","- C139.245 H130.5 Ag3 Cs N8.75 O20.745 P6 Sn2 -","- C1670.94 H1566 Ag36 Cs12 N105 O248.94 P72 Sn24 -","12","0.666667","","Xiankai Sun; Darren W. Johnson; Kenneth N. Raymond; Edward H. Wong","A Silver-Linked Supramolecular Cluster Encapsulating a Cesium Cation","Inorganic Chemistry","2001","40","","4504","4506","10.1021/ic010154v","","","0.71073","MoKα","","0.0858","0.0517","","","0.1407","0.1607","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320211","39.2057","0.0001","39.2057","0.0001","10.4603","0.0001","90","","90","","120","","13924.3","0.14","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H47 N O S5 W -","- C27 H47 N O S5 W -","- C486 H846 N18 O18 S90 W18 -","18","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0774","0.0421","","","0.0863","0.1041","","","","","","1.039","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320212","39.466","0.002","39.466","0.002","10.4482","0.0008","90","","90","","120","","14093.5","1.5","213","2","213","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H47 N O S4 Se W -","- C27 H47 N O S4 Se W -","- C486 H846 N18 O18 S72 Se18 W18 -","18","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0505","0.0345","","","0.0894","0.1037","","","","","","0.125","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320250","14.6195","0.0015","14.6195","0.0015","17.5023","0.0017","90","","90","","120","","3239.6","0.6","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H50 B2 N18 Na2 O6 S6 -","- C24 H50 B2 N18 Na2 O6 S6 -","- C72 H150 B6 N54 Na6 O18 S18 -","3","0.166667","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.0301","0.0284","","","0.0819","0.0825","","","","","","1.117","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320252","13.941","0.005","13.941","0.005","22.285","0.009","90","","90","","120","","3751","2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C26 H53 B2 Bi Cl N19 O6 S6 -","- C24 H38 B2 Bi Cl N18 S6 -","- C72 H114 B6 Bi3 Cl3 N54 S18 -","3","0.166667","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.0392","0.0377","","","0.0831","0.0834","","","","","","0.948","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320630","11.9764","0.0013","11.9764","0.0013","20.802","0.002","90","","90","","120","","2584","0.5","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 O18 S6 Tl -","- C12 H36 Cl2.958 O18.026 S6 Tl -","- C36 H108 Cl8.874 O54.078 S18 Tl3 -","3","0.166667","","Guibin Ma; Alireza Molla-Abbassi; Mikael Kritikos; Andrey Ilyukhin; Farideh Jalilehvand; Vadim Kessler; Mikhail Skripkin; Magnus Sandström; Julius Glaser; Jan Näslund; Ingmar Persson","Structure of the Dimethyl Sulfoxide Solvated Thallium(III) Ion in Solution and in the Solid State","Inorganic Chemistry","2001","40","","6432","6438","10.1021/ic010453k","","","0.71073","MoKα","","0.0329","0.0323","","","0.0789","0.0791","","","","","","1.086","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4320631","11.8995","0.0009","11.8995","0.0009","20.467","0.002","90","","90","","120","","2509.8","0.4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 O18 S6 Tl -","- C12 H36 Cl2.918 O18.002 S6 Tl -","- C36 H108 Cl8.754 O54.006 S18 Tl3 -","3","0.166667","","Guibin Ma; Alireza Molla-Abbassi; Mikael Kritikos; Andrey Ilyukhin; Farideh Jalilehvand; Vadim Kessler; Mikhail Skripkin; Magnus Sandström; Julius Glaser; Jan Näslund; Ingmar Persson","Structure of the Dimethyl Sulfoxide Solvated Thallium(III) Ion in Solution and in the Solid State","Inorganic Chemistry","2001","40","","6432","6438","10.1021/ic010453k","","","0.71073","MoKα","","0.0338","0.0302","","","0.0678","0.0854","","","","","","1.208","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320766","11.8131","0.0017","11.8131","0.0017","35.056","0.005","90","","90","","120","","4236.6","1.1","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H48 Cl Cu N10 O -","- C21 H48 Cl Cu N10 O -","- C126 H288 Cl6 Cu6 N60 O6 -","6","0.333333","","Volker Raab; Jennifer Kipke; Olaf Burghaus; Jörg Sundermeyer","Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of Tris(2-aminoethyl)amine as Constraint Geometry Ligands","Inorganic Chemistry","2001","40","","6964","6971","10.1021/ic010563r","","","0.71073","MoKα","","0.0456","0.0432","","","0.1179","0.1206","","","","","","1.055","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4321080","19.688","0.003","19.688","0.003","55.264","0.011","90","","90","","120","","18551","5","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- As2 Cl4 F30 O6 Te6 -","- As2 Cl4 F30 O6 Te6 -","- As48 Cl96 F720 O144 Te144 -","24","1.33333","","Michael Gerken; Peter Kolb; Andreas Wegner; Hélène P. A. Mercier; Horst Borrmann; David A. Dixon; Gary J. Schrobilgen","Tetrachloro- and Tetrabromoarsonium(V) Cations: Raman and 75As, 19F NMR Spectroscopic Characterization and X-ray Crystal Structures of [AsCl4][As(OTeF5)6] and [AsBr4][AsF(OTeF5)5]","Inorganic Chemistry","2000","39","","2813","2824","10.1021/ic000118g","","","0.71073","MoKα","","0.1436","0.1341","","0.4505","0.4246","","","","1.714","1.806","1.806","","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4321081","9.8741","0.0014","9.8741","0.0014","55.301","0.011","90","","90","","120","","4669.4","1.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- As2 Cl4 F30 O6 Te6 -","- As2 Cl4 F30 O6 Te6 -","- As12 Cl24 F180 O36 Te36 -","6","0.333333","","Michael Gerken; Peter Kolb; Andreas Wegner; Hélène P. A. Mercier; Horst Borrmann; David A. Dixon; Gary J. Schrobilgen","Tetrachloro- and Tetrabromoarsonium(V) Cations: Raman and 75As, 19F NMR Spectroscopic Characterization and X-ray Crystal Structures of [AsCl4][As(OTeF5)6] and [AsBr4][AsF(OTeF5)5]","Inorganic Chemistry","2000","39","","2813","2824","10.1021/ic000118g","","","0.71073","MoKα","","0.0443","0.0438","","0.1447","0.1444","","","","2.184","2.189","2.189","","","","","has coordinates","179313","2020-10-21","18:00:00",""
"4321102","19.948","0.003","19.948","0.003","19.405","0.004","90","","90","","120","","6687","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H11 Cl Cu N3 O7.5 -","- C11 H10 Cl Cu N3 O7.5 -","- C198 H180 Cl18 Cu18 N54 O135 -","18","1","","Enrique Colacio; Mustapha Ghazi; Raikko Kivekäs; José María Moreno","Helical-Chain Copper(II) Complexes and a Cyclic Tetranuclear Copper(II) Complex with Single Syn-Anti Carboxylate Bridges and Ferromagnetic Exchange Interactions","Inorganic Chemistry","2000","39","","2882","2890","10.1021/ic991209k","","","0.71073","MoKα","","0.1054","0.0675","","0.1937","0.1456","","","","1.095","1.135","1.135","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4321464","44.267","0.004","44.267","0.004","13.311","0.001","90","","90","","120","","22589","3","228","2","228","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C53 H71 O6 P -","- C53 H71 O6 P -","- C954 H1278 O108 P18 -","18","1","","Maomian Fan; Igor V. Shevchenko; R. Harmony Voorhies; Scott F. Eckert; Hongming Zhang; Michael Lattman","Main-Group-Element Calix[4]arenes: Variable Coordination and Conformational Isomerism at Phosphorus and Silicon","Inorganic Chemistry","2000","39","","4704","4712","10.1021/ic000349n","","","0.71073","MoKα","","0.1582","0.1012","","0.3669","0.2562","","","","1.03","1.115","1.115","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321682","18.4666","0.0011","18.4666","0.0011","26.404","0.002","90","","90","","120","","7797.8","0.9","294.2","","294.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H14.57 N4 Ni O0.28 S2 -","- C18 H14 N4 Ni O0.0943333 S2 -","- C324 H252 N72 Ni18 O1.698 S36 -","18","1","","Christian Brückner; Stephen J. Rettig; David Dolphin","2-Pyrrolylthiones as Monoanionic Bidentate N,S-Chelators: Synthesis and Molecular Structure of 2-Pyrrolylthionato Complexes of Nickel(II), Cobalt(III), and Mercury(II)","Inorganic Chemistry","2000","39","","6100","6106","10.1021/ic0004636","","","1.5418","CuKα","","","0.032","","","","0.033","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321843","29.812","0.005","29.812","0.005","11.484","0.003","90","","90","","120","","8839","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C17 H15 Cu F6 N4 P -","- C17 H15 Cu F6 N4 P -","- C306 H270 Cu18 F108 N72 P18 -","18","1","","Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues","pH-Dependent Monomer \λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl)","Inorganic Chemistry","1999","38","","1165","1173","10.1021/ic981158b","","","0.71073","MoKα","","0.0436","0.0363","","0.0672","0.0624","","","","1.064","1.095","1.095","","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4322315","11.03","","11.03","","33.008","","90","","90","","120","","3477.77","","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H4 Cl0.67 Fe0.33 N6 O2.67 -","- C12 H12 Cl2 Fe N18 O8 -","- C72 H72 Cl12 Fe6 N108 O48 -","6","0.333333","","Yann Garcia; Olivier Kahn; Louis Rabardel; Benoit Chansou; Lionel Salmon; Jean Pierre Tuchagues","Two-Step Spin Conversion for the Three-Dimensional Compound Tris(4,4'-bis-1,2,4-triazole)iron(II) Diperchlorate","Inorganic Chemistry","1999","38","","4663","4670","10.1021/ic990511q","","","0.71073","MoKα","","","0.0719","","","0.0787","","","","","1.0762","1.0762","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322316","10.971","","10.971","","35.517","","90","","90","","120","","3702.2","","260","","260","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H4 Cl0.67 Fe0.33 N6 O2.67 -","- C12 H12 Cl2 Fe N18 O8 -","- C72 H72 Cl12 Fe6 N108 O48 -","6","0.333333","","Yann Garcia; Olivier Kahn; Louis Rabardel; Benoit Chansou; Lionel Salmon; Jean Pierre Tuchagues","Two-Step Spin Conversion for the Three-Dimensional Compound Tris(4,4'-bis-1,2,4-triazole)iron(II) Diperchlorate","Inorganic Chemistry","1999","38","","4663","4670","10.1021/ic990511q","","","0.71073","MoKα","","","0.0401","","","0.0447","","","","","1.1478","1.1478","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322317","10.938","","10.938","","34.555","","90","","90","","120","","3580.28","","190","","190","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H4 Cl0.67 Fe0.33 N6 O2.67 -","- C12 H12 Cl2 Fe N18 O8 -","- C72 H72 Cl12 Fe6 N108 O48 -","6","0.333333","","Yann Garcia; Olivier Kahn; Louis Rabardel; Benoit Chansou; Lionel Salmon; Jean Pierre Tuchagues","Two-Step Spin Conversion for the Three-Dimensional Compound Tris(4,4'-bis-1,2,4-triazole)iron(II) Diperchlorate","Inorganic Chemistry","1999","38","","4663","4670","10.1021/ic990511q","","","0.71073","MoKα","","","0.0382","","","0.0418","","","","","1.1236","1.1236","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322326","12.55","0.002","12.55","0.002","27.039","0.005","90","","90","","120","","3688.2","1.1","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C18 H42 F12 N6 O6 Re6 Sb2 Se8 -","- C18 H42 F12 N6 O6 Re6 Sb2 Se8 -","- C54 H126 F36 N18 O18 Re18 Sb6 Se24 -","3","0.166667","","Zhiping Zheng; Thomas G. Gray; R. H. Holm","Synthesis and Structures of Solvated Monoclusters and Bridged Di- and Triclusters Based on the cubic Building Block [Re6(μ3-Se)8]2+","Inorganic Chemistry","1999","38","","4888","4895","10.1021/ic9906050","","","0.71073","MoKα","","0.0721","0.0337","","0.1009","0.0818","","","","0.569","0.618","0.618","","","","","has coordinates","179326","2020-10-21","18:00:00",""
"4322445","35.6184","0.0002","35.6184","0.0002","13.5217","0.0001","90","","90","","120","","14856.3","0.16","158","2","158","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C55 H74 O8 S2 V2 -","- C55 H74 O8 S2 V2 -","- C495 H666 O72 S18 V18 -","9","0.5","","Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf","Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO)","Inorganic Chemistry","1999","38","","4303","4308","10.1021/ic9900253","","","0.71073","MoKα","","0.1332","0.0996","","0.2638","0.2359","","","","1.15","1.244","1.244","","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4322558","15.539","0.002","15.539","0.002","21.149","0.004","90","","90","","120","","4422.5","1.2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H68 Cu3 N12 O13 -","- C54 H66 Cu3 N12 O13 -","- C162 H198 Cu9 N36 O39 -","3","0.166667","","Hong-Ke Liu; Wei-Yin Sun; Wen-Xia Tang; Tetsuo Yamamoto; Norikazu Ueyama","Self-Assembly of the First Copper(II) Infinite 2D Network with Large Cavities Formed between the Two Adjacent Layers","Inorganic Chemistry","1999","38","","6313","6316","10.1021/ic9907563","","","0.71073","MoKα","","0.1225","0.0446","","0.1576","0.1238","","","","1.043","1.111","1.111","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322662","14.461","0.002","14.461","0.002","30.473","0.003","90","","90","","120","","5518.8","1.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H31 Ag B N6 P -","- C30 H31 Ag B N6 P -","- C180 H186 Ag6 B6 N36 P6 -","6","0.333333","","C. Santini; G. Gioia Lobbia; C. Pettinari; M. Pellei; G. Valle; S. Calogero","Syntheses and Spectroscopic and Structural Characterization of Silver(I) Complexes Containing Tertiary Phosphines and Hydrotris(pyrazol-1-yl)-, Hydrotris(4-bromopyrazol-1-yl)-, Hydrotris(3,5-dimethypyrazol-1-yl)-, and Hydrotris(3-methyl-2-thioxo-1-imidazolyl)borates","Inorganic Chemistry","1998","37","","890","900","10.1021/ic9707624","","","0.7107","MoKα","","0.0696","0.0553","","0.2015","0.1761","","","","1.316","1.396","1.396","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322677","39.7028","0.0004","39.7028","0.0004","10.4657","0.0002","90","","90","","120","","14287","0.3","173","2","173","2","","","","","","","L. Berreau / Prof. W. Tolman","7","R -3 :H","-R 3","148","95123","","","- C21 H40 Cu F6 N4 O7 S2 -","- C21 H40 Cu F6 N4 O7 S2 -","- C378 H720 Cu18 F108 N72 O126 S36 -","18","1","","Lisa M. Berreau; Jason A. Halfen; Victor G. Young; William B. Tolman","Synthesis and Copper Coordination Chemistry of Hindered 1,4,7-Triazacyclononane Ligands with Amide Appendages","Inorganic Chemistry","1998","37","","1091","1098","10.1021/ic971115f","","","0.71073","MoKα","","0.0637","0.0482","","0.1176","0.1087","","","","1.147","1.185","1.185","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322678","13.743","0.001","13.7428","","17.802","0.002","90","","90","","120","","2911.8","0.4","20","","20","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H48 F12 Fe N18 Ni3 P2 -","- C54 H144 F36 Fe3 N54 Ni9 P6 -","- C54 H144 F36 Fe3 N54 Ni9 P6 -","","","","Nobuo Fukita; Masaaki Ohba; Hisashi Ōkawa; Kenji Matsuda; Hiizu Iwamura","Bimetallic Assemblies [Ni(L)2]3[Fe(CN)6]X2 (L = Ethylenediamine, Trimethylenediamine; X = PF6-, ClO4-) with a Three-Dimensional Network Extended through FeII-CN-NiII Linkages","Inorganic Chemistry","1998","37","","842","848","10.1021/ic9711168","","","0.7107","MoKalpha","","","0.035","","","0.034","","","","","6.3","6.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322679","14.588","0.001","14.5879","","17.05","0.002","90","","90","","120","","3142.3","0.4","20","","20","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H60 F12 Fe N18 Ni3 P2 -","- C72 H180 F36 Fe3 N54 Ni9 P6 -","- C72 H180 F36 Fe3 N54 Ni9 P6 -","","","","Nobuo Fukita; Masaaki Ohba; Hisashi Ōkawa; Kenji Matsuda; Hiizu Iwamura","Bimetallic Assemblies [Ni(L)2]3[Fe(CN)6]X2 (L = Ethylenediamine, Trimethylenediamine; X = PF6-, ClO4-) with a Three-Dimensional Network Extended through FeII-CN-NiII Linkages","Inorganic Chemistry","1998","37","","842","848","10.1021/ic9711168","","","0.7107","MoKalpha","","","0.019","","","0.019","","","","","2.19","2.19","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322680","14.337","0.002","14.3372","","17.294","0.004","90","","90","","120","","3078.6","0.8","20","","20","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H60 Cl2 Fe N18 Ni3 O8 -","- C72 H180 Cl6 Fe3 N54 Ni9 O48 -","- C72 H180 Cl6 Fe3 N54 Ni9 O48 -","","","","Nobuo Fukita; Masaaki Ohba; Hisashi Ōkawa; Kenji Matsuda; Hiizu Iwamura","Bimetallic Assemblies [Ni(L)2]3[Fe(CN)6]X2 (L = Ethylenediamine, Trimethylenediamine; X = PF6-, ClO4-) with a Three-Dimensional Network Extended through FeII-CN-NiII Linkages","Inorganic Chemistry","1998","37","","842","848","10.1021/ic9711168","","","0.7107","MoKalpha","","","0.024","","","0.022","","","","","3.59","3.59","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322915","25.693","0.002","25.693","0.002","14.4195","0.001","90","","90","","120","","8243.5","1.1","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H19 K N2 O -","- C19 H19 K N2 O -","- C342 H342 K18 N36 O18 -","18","1","","Carlos Yélamos; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Reactivity of Potassium Pyrazolato Complexes: The First Structurally Documented η2-Pyrazolato Coordination by a Main Group Metal","Inorganic Chemistry","1998","37","","3892","3894","10.1021/ic980248d","","","0.71073","MoKα","","0.2062","0.1039","","0.2257","0.1851","","","","1.132","1.382","1.382","","","","","has coordinates,has disorder","179332","2020-10-21","18:00:00",""
"4323257","17.384","0.004","17.3843","","19.768","0.004","90","","90","","120","","5173.7","1.6","296.2","","296.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H107 Cr6 O2 P6 Se8 -","- C44.1 H90 Cr6 O2.1 P6 Se6.66 -","- C132.3 H270 Cr18 O6.3 P18 Se19.98 -","3","0.166667","","Satoshi Kamiguchi; Hideo Imoto; Taro Saito; Teiji Chihara","Syntheses, Structures, FAB Mass Spectra, and Magnetic Properties of Chromium Chalcogenide Cluster Complexes [Cr6Se8(PEt3)6], [Cr6Se8(H)(PEt3)6], and [Cr6S8(H)(PEt3)6]","Inorganic Chemistry","1998","37","","6852","6857","10.1021/ic9807700","","","0.7107","MoKα","","","0.0378","","","0.0321","","","","","4.021","4.021","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323822","10.254","0.004","10.254","","35.03","0.01","90","","90","","120","","3189.8","1.5","293","","293","","","","","","","","","7","R -3 :H","-R 3","148","","bis(diaquahydrogen) tris(2-aminoethyl)aminepotassium hexachlororuthenium(III)","","- C6 H28 Cl6 K N4 O4 Ru -","- C6 H18 Cl6 K0.333333 N3.33333 O3.33333 Ru0.166667 -","- C36 H108 Cl36 K2 N20 O20 Ru -","6","0.333333","","Ken Sakai; Yasutaka Yamada; Taro Tsubomura","Syntheses and Crystal Structures of Ruthenium Complexes of 1,4,8,11-Tetraazacyclotetradecane, Tris(2-aminoethyl)amine (tren), and Bis(2-aminoethyl)(iminomethyl)amine. A Microporous Layered Structure Consisting of {[K(tren)]2[RuCl6]}nn- and {(H5O2)4[RuCl6]}nn+","Inorganic Chemistry","1996","35","","3163","3172","10.1021/ic950688u","","","0.71069","MoKα","","","0.0504","","","0.0455","","","","","2.54","2.54","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323839","13.8294","0.0013","13.8294","0.0013","17.429","0.002","90","","90","","120","","2886.8","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H42 Br2 Cu2 P2 -","- C42 H42 Br2 Cu2 P2 -","- C126 H126 Br6 Cu6 P6 -","3","0.166667","","Pericles D. Akrivos; Petros P. Karagiannidis; Catherine P. Raptopoulou; Aris Terzis; Stefan Stoyanov","Reactions of Copper(I) Halides with Tertiary Phosphines. The Unique Structure of [Cu(tribenzylphosphine)2][CuBr2]","Inorganic Chemistry","1996","35","","4082","4083","10.1021/ic951387n","","","0.7107","MoKα","","0.07","0.0265","","0.1111","0.0657","","","","1.276","1.051","1.051","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323984","28.546","0.003","28.546","0.003","27.679","0.002","90","","90","","120","","19533","3","293","2","293","2","","","","","","","reaction of [Ph4P]4[Zr6Cl18H5] with TiCl4","5","R -3 :H","-R 3","148","","bis(tetraphenylphosphonium) dodecakis-/m-chloro-hexachloro- hexahydrido-hexa-zirconium","","- C48 H46 Cl18 P2 Zr6 -","- C48.01 H42.5 Cl18 P2 Zr6 -","- C576.12 H510 Cl216 P24 Zr72 -","12","0.666667","","Linfeng Chen; F. Albert Cotton","Synthesis, Structure, and Reactivity of [Zr6Cl18H5]2-, the First Paramagnetic Species of Its Class","Inorganic Chemistry","1996","35","","7364","7369","10.1021/ic960454q","","","0.7093","MoKa","","0.1568","0.0496","","0.1211","0.0938","","","","1.032","1.178","1.178","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324192","24.1184","0.0007","24.1184","0.0007","7.6482","0.0002","90","","90","","120","","3852.89","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- K10 P8 Se24 Sn3 -","- K10 P7.98 Se24 Sn3 -","- K30 P23.94 Se72 Sn9 -","3","0.166667","","In Chung; Mercouri G. Kanatzidis","Stabilization of Sn2+ in K10Sn3(P2Se6)4 and Cs2SnP2Se6 Derived from a Basic Flux","Inorganic Chemistry","2011","50","","412","414","10.1021/ic101140r","","","0.71073","MoKα","","0.0409","0.0379","","","0.0827","0.0842","","","","","","1.209","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324569","13.7045","0.0007","13.7045","0.0007","45.762","0.004","90","","90","","120","","7443.2","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.5 H25 B K N6 O3 S3 -","- C15 H16 B K N6 O1.5 S3 -","- C180 H192 B12 K12 N72 O18 S36 -","12","0.666667","","Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti","Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds","Inorganic Chemistry","2011","50","","1991","2001","10.1021/ic102494k","","","0.71073","MoKα","","0.1161","0.0736","","","0.2273","0.2402","","","","","","1.059","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4324654","15.801","0.002","15.801","0.002","19.599","0.004","90","","90","","120","","4237.7","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","[Cu3(CN-py-NO)3(O)(CH3OH)(H2O)2](NO3)","","","- C22 H20 Cu3 N10 O10 -","- C21.9999 H19.9998 Cu3 N10 O10 -","- C131.999 H119.999 Cu18 N60 O60 -","6","0.333333","","Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner","Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies","Inorganic Chemistry","2011","50","","2468","2478","10.1021/ic102286r","","","0.71073","MoKα","","0.0818","0.0618","","0.1629","","0.1544","","","1.103","","","1.187","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324769","19.095","0.001","19.095","0.001","50.58","0.002","90","0","90","0","120","0","15971.6","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H98 Cd14.5 O65 -","- C60 H98 Cd14.5 O65 -","- C360 H588 Cd87 O390 -","6","0.333333","","Susan M. Vickers; Peter D. Frischmann; Mark J. MacLachlan","Family of Cadmium Acetate Coordination Networks With Structurally Diverse [Cd4(OAc)9(μ3-OH)]2- Secondary Building Units","Inorganic Chemistry","2011","50","","2957","2965","10.1021/ic1023828","","","0.71069","MoKα","","0.045","0.0371","","","0.0905","0.0977","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324770","19.06","0.002","19.06","0.002","50.017","0.006","90","0","90","0","120","0","15736","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H83 Cd14.5 O68 -","- C54 H83 Cd14.5 O68 -","- C324 H498 Cd87 O408 -","6","0.333333","","Susan M. Vickers; Peter D. Frischmann; Mark J. MacLachlan","Family of Cadmium Acetate Coordination Networks With Structurally Diverse [Cd4(OAc)9(μ3-OH)]2- Secondary Building Units","Inorganic Chemistry","2011","50","","2957","2965","10.1021/ic1023828","","","0.71073","MoKα","","0.0717","0.0515","","","0.1137","0.1304","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4324900","18.388","0.003","18.388","0.003","43.916","0.009","90","","90","","120","","12859","4","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24.99 H15.06 N0.33 O13.705 Zn4 -","- C24.99 H11.31 N0.33 O13.705 Zn4 -","- C299.88 H135.72 N3.96 O164.46 Zn48 -","12","0.666667","","Hyunuk Kim; Sunirban Das; Min Gyu Kim; Danil N. Dybtsev; Yonghwi Kim; Kimoon Kim","Synthesis of Phase-Pure Interpenetrated MOF-5 and Its Gas Sorption Properties","Inorganic Chemistry","2011","50","","3691","3696","10.1021/ic200054b","","","0.9","synchrotron","","0.0891","0.088","","","0.2691","0.2702","","","","","","1.112","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324987","29.5532","0.0004","29.5532","0.0004","36.1951","0.0007","90","","90","","120","","27377.2","0.7","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C60 H288 Cl5 Cu24 Gd6 N25 Na12 O207 -","- C60 H84 Cl Cu24 Gd6 N20 Na12 O144 -","- C180 H252 Cl3 Cu72 Gd18 N60 Na36 O432 -","3","0.166667","","Gui-Lin Zhuang; Wen-Xian Chen; Hai-Xia Zhao; Xiang-Jian Kong; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Two Three-Dimensional 2p-3d-4f Heterometallic Frameworks Featuring a Ln6Cu24Na12 Cluster as a Node","Inorganic Chemistry","2011","50","","3843","3845","10.1021/ic200077r","","","0.71073","MoKα","","0.1073","0.0849","","","0.2284","0.2386","","","","","","1.056","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4324988","29.4923","0.0004","29.4923","0.0004","36.1205","0.0007","90","","90","","120","","27208.3","0.7","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C60 H288 Cl5 Cu24 Dy6 N25 Na12 O207 -","- C60 H66 Cl Cu24 Dy6 N20 Na12 O144 -","- C180 H198 Cl3 Cu72 Dy18 N60 Na36 O432 -","3","0.166667","","Gui-Lin Zhuang; Wen-Xian Chen; Hai-Xia Zhao; Xiang-Jian Kong; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Two Three-Dimensional 2p-3d-4f Heterometallic Frameworks Featuring a Ln6Cu24Na12 Cluster as a Node","Inorganic Chemistry","2011","50","","3843","3845","10.1021/ic200077r","","","0.71073","MoKα","","0.1067","0.0808","","","0.2155","0.2258","","","","","","1.014","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4325087","30.333","0.003","30.333","0.002","22.053","0.002","90","","90","","120","","17572","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C78 H94 Al2 N4 O6 Si2 -","- C78 H94 Al2 N4 O6 Si2 -","- C702 H846 Al18 N36 O54 Si18 -","9","0.5","","Sandra González-Gallardo; Vojtech Jancik; Alma A. Delgado-Robles; Mónica Moya-Cabrera","Cyclic Alumosiloxanes and Alumosilicates: Exemplifying the Loewenstein Rule at the Molecular Level","Inorganic Chemistry","2011","50","","4226","4228","10.1021/ic200313k","","","0.71073","MoKα","","0.0768","0.0594","","","0.1496","0.1619","","","","","","1.069","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325164","16.4061","0.0019","16.4061","0.0019","35.098","0.008","90","","90","","120","","8181","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C62 H75 Ag6 Cl13 N12 O28 S24 -","- C62 H74 Ag6 Cl13 N12 O30 S24 -","- C186 H222 Ag18 Cl39 N36 O90 S72 -","3","0.166667","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer","Inorganic Chemistry","2011","50","","4772","4780","10.1021/ic102363y","","","0.71073","MoKα","","0.1099","0.0644","","","0.1669","0.2","","","","","","1.034","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325165","26.8371","0.0017","26.8371","0.0017","11.2997","0.0008","90","","90","","120","","7048","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H72 Ag6 Cl6 N12 O24 S24 -","- C60 H72 Ag6 Cl6 N12 O24 S24 -","- C180 H216 Ag18 Cl18 N36 O72 S72 -","3","0.166667","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer","Inorganic Chemistry","2011","50","","4772","4780","10.1021/ic102363y","","","0.71073","MoKα","","0.0691","0.0464","","","0.109","0.1185","","","","","","1.035","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325420","9.6182","0.0005","9.6182","0.0005","75.393","0.007","90","","90","","120","","6040.2","0.7","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba1.14 In0.38 S1.81 -","- Ba1.14286 In0.380952 S1.80952 -","- Ba72 In24 S114 -","63","3.5","","Ji-Wei Liu; Peng Wang; Ling Chen","Contribution of Disulfide S22-Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In)","Inorganic Chemistry","2011","50","","5706","5713","10.1021/ic2004936","","","0.71073","MoKα","","0.077","0.0485","","","0.083","0.0941","","","","","","1.075","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325675","21.3693","0.0009","21.3693","0.0009","69.219","0.002","90","","90","","120","","27373.9","1.8","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H84 Mn7 N42 O42 -","- C84 Mn7 N42 O42 -","- C756 Mn63 N378 O378 -","9","0.5","","Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray","Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2011","50","","6673","6684","10.1021/ic200591u","","","0.71073","MoKα","","0.2758","0.0981","","","0.1868","0.247","","","","","","0.989","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325677","23.214","0.004","23.214","0.004","10.184","0.003","90","","90","","120","","4752.8","1.8","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H47 Mo12 N12 O40 P -","- C30 H30 Mo12 N12 O40 P -","- C90 H90 Mo36 N36 O120 P3 -","3","0.166667","","Tomoyuki Akutagawa; Fumito Kudo; Ryo Tsunashima; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura","Hydrogen-Bonded Assemblies of Two-Electron Reduced Mixed-Valence [XMo12O40] (X = P and Si) withp-Phenylenediamines","Inorganic Chemistry","2011","50","","6711","6718","10.1021/ic200683e","","","0.71075","MoKα","","","0.0524","","","","0.0816","","","","","","1.173","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325803","38.225","0.008","38.225","0.008","16.718","0.004","90","","90","","120","","21155","8","113","2","113","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H66 Ru3 S6 -","- C44 H58 Ru3 S6 -","- C792 H1044 Ru54 S108 -","18","1","","Tetsuya Kambe; Satoru Tsukada; Ryota Sakamoto; Hiroshi Nishihara","Expanding Family of π-Conjugated Trinuclear Dithiolenes: The Cases of Group 8 (RuII) and 10 (NiII and PtII) Metals","Inorganic Chemistry","2011","50","","6856","6858","10.1021/ic200766p","","","0.7107","MoKα","","","0.1351","","","","0.2568","","","","","","1.22","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325974","37.8398","0.0006","37.8398","0.0006","19.7609","0.0004","90","","90","","120","","24503.9","0.7","100","2","100","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","","","- C46 H44 Cl2 Co2 Fe4 O13 P2 -","- C46 H44 Cl2 Co2 Fe4 O13 P2 -","- C828 H792 Cl36 Co36 Fe72 O234 P36 -","18","1","","M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz","Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges","Inorganic Chemistry","2011","50","","7894","7906","10.1021/ic2012342","","x-ray","1.54184","CuKα","","0.0753","0.0473","","","0.1014","0.1151","","","","","","1.016","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326012","27.7975","0.0004","27.7975","0.0004","17.7113","0.0005","90","","90","","120","","11852","0.4","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C11 H28 Cl2 O0 P4 Pd2 S2 -","- C11 H28 Cl2 P4 Pd2 S2 -","- C198 H504 Cl36 P72 Pd36 S36 -","18","1","","Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James","Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates","Inorganic Chemistry","2011","50","","8094","8105","10.1021/ic200503d","","","0.71073","MoKα","","0.0376","0.0274","","","0.0738","0.075","","","","","","1.119","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326304","31.379","0.0005","31.379","0.0005","12.684","0.0002","90","","90","","120","","10816","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H28 Be3 N2 O12 P4 -","- C8 H20 Be3 N2 O12 P4 -","- C144 H360 Be54 N36 O216 P72 -","18","1","","Xiuchao Luo; Daibing Luo; Hongmei Zeng; Maochu Gong; Yaoqiang Chen; Zhien Lin","A 3,4-Connected Beryllium Phosphite Framework Containing 24-Ring Channels with a Very Low Density","Inorganic Chemistry","2011","50","","8697","8699","10.1021/ic2014539","","","0.71073","MoKα","","0.0765","0.0556","","","0.1462","0.1591","","","","","","1.042","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326318","29.1361","0.0013","29.1361","0.0013","55.364","0.003","90","","90","","120","","40702","3","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C71 H51 Cl13 N11 O2 Ru2 -","- C71 H51 Cl13 N11 O2 Ru2 -","- C1278 H918 Cl234 N198 O36 Ru36 -","18","1","","William P. Forrest; Zhi Cao; Wei-Zhong Chen; Kerry M. Hassell; Anastasia Kharlamova; Greta Jakstonyte; Tong Ren","Decorating Diruthenium Compounds with Fréchet Dendrons via the Click Reaction","Inorganic Chemistry","2011","50","","9345","9353","10.1021/ic200929r","","","0.71073","MO-Kα","","0.088","0.058","","","0.13","0.141","","","","","","1.019","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326363","37.285","0.003","37.285","0.003","27.182","0.005","90","","90","","120","","32725","7","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C60 H60 N10 -","- C60 H60 N10 -","- C1440 H1440 N240 -","24","1.33333","","Rui Cao; Brian D. McCarthy; Stephen J. Lippard","Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes","Inorganic Chemistry","2011","50","","9499","9507","10.1021/ic201172r","","","0.71073","MoKα","","0.0769","0.0615","","","0.183","0.196","","","","","","1.06","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326364","23.6804","0.0017","23.6804","0.0017","30.596","0.005","90","","90","","120","","14858","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H60 Cl3 Cu3 F18 N10 P3 -","- C60 H60 Cl3 Cu3 F18 N10 P3 -","- C360 H360 Cl18 Cu18 F108 N60 P18 -","6","0.333333","","Rui Cao; Brian D. McCarthy; Stephen J. Lippard","Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using Copper-Based Tripodal Complexes","Inorganic Chemistry","2011","50","","9499","9507","10.1021/ic201172r","","","0.71073","MoKα","","0.0778","0.0558","","","0.168","0.1792","","","","","","1.086","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326397","16.2563","0.0004","16.2563","0.0004","15.1412","0.0008","90","","90","","120","","3465.2","0.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H78 N8 O Si6 U2 -","- C30 H78 N8 O Si6 U2 -","- C90 H234 N24 O3 Si18 U6 -","3","0.166667","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.0149","0.0144","","","0.0416","0.042","","","","","","1.144","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326415","16.7506","0.0019","16.7506","0.0019","19.078","0.005","90","","90","","120","","4635.8","1.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H52 O38 Th6 -","- C24 H48 O38 Th6 -","- C72 H144 O114 Th18 -","3","0.166667","","Karah E. Knope; Richard E. Wilson; Monica Vasiliu; David A. Dixon; L. Soderholm","Thorium(IV) Molecular Clusters with a Hexanuclear Th Core","Inorganic Chemistry","2011","50","","9696","9704","10.1021/ic2014946","","","0.71073","MoKα","","0.0656","0.04","","","0.0766","0.0831","","","","","","0.956","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326651","14.258","0.002","14.258","0.002","51.556","0.006","90","","90","","120","","9077","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Ag B F4 P4 -","- C72 H60 Ag B F4 P4 -","- C432 H360 Ag6 B6 F24 P24 -","6","0.333333","","Irene Bassanetti; Luciano Marchiò","Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands","Inorganic Chemistry","2011","50","","10786","10797","10.1021/ic201338w","","","0.71073","MoKα","","0.0664","0.0563","","","0.1412","0.1496","","","","","","1.07","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326747","19.9834","0.0004","19.9834","0.0004","6.8829","0.0002","90","","90","","120","","2380.35","0.1","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 H3 O3 P Pb -","- C2 H3 O3 P Pb -","- C36 H54 O54 P18 Pb18 -","18","1","","Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda","Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties","Inorganic Chemistry","2011","50","","11202","11211","10.1021/ic201760w","","","1.54178","CuKα","","0.0468","0.0457","","","0.1143","0.1155","","","","","","1.114","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326933","49.363","0.019","49.363","0.013","10.871","0.004","90","","90","","120","","22941","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C52 H68 B N8 Y -","- C52 H68 B N8 Y -","- C936 H1224 B18 N144 Y18 -","18","1","","Weiyin Yi; Jie Zhang; Meng Li; Zhenxia Chen; Xigeng Zhou","Synthesis, Structures, and Reactivity of Yttrium Alkyl and Alkynyl Complexes with Mixed TpMe2/Cp Ligands","Inorganic Chemistry","2011","50","","11813","11824","10.1021/ic2019499","","","0.71073","MoKα","","0.1106","0.0533","","","0.1137","0.1316","","","","","","0.784","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4326945","15.609","0.002","15.609","0.002","10.823","0.002","90","","90","","120","","2283.6","0.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- F31 Rb7 Th6 -","- F32 Rb7 Th6 -","- F96 Rb21 Th18 -","3","0.166667","","Christopher C. Underwood; Matthew Mann; Colin D. McMillen; Joseph W. Kolis","Hydrothermal Descriptive Chemistry and Single Crystal Structure Determination of Cesium and Rubidium Thorium Fluorides","Inorganic Chemistry","2011","50","","11825","11831","10.1021/ic2019555","","","0.71073","MoKα","","0.0461","0.0357","","","0.0818","0.0869","","","","","","1.119","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4327090","15.9998","0.0008","15.9998","0.0008","19.319","0.001","90","","90","","120","","4283","0.4","125","2","125","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H34 B N6 O3 Re S3 -","- C24 H34 B N6 O3 Re S3 -","- C144 H204 B6 N36 O18 Re6 S18 -","6","0.333333","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0307","0.0226","","","0.048","0.0517","","","","","","1.155","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327275","21.081","0.003","21.081","0.003","10.4954","0.0015","90","","90","","120","","4039.4","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H27 N3 Nd O12 P3 -","- C21 H27 N3 Nd O12 P3 -","- C126 H162 N18 Nd6 O72 P18 -","6","0.333333","","Xin-min Gan; Brian M. Rapko; Jesse Fox; Iris Binyamin; Sylvie Pailloux; Eileen N. Duesler; Robert T. Paine","A Three-Dimensional Framework Structure Constructed from 2-(2-Pyridyl-N-oxide) Ethylphosphonic Acid and Nd(III)","Inorganic Chemistry","2006","45","","3741","3745","10.1021/ic051937+","","","0.71073","MoKα","","0.0194","0.0165","","0.0417","","0.041","","","1.053","","","1.105","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327308","24.5701","0.0011","24.5701","0.0011","10.1453","0.0008","90","","90","","120","","5304.1","0.5","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","5","1,3,5-Tris[2'-((3,5-dimethylpyrazol-1-yl)methyl) phenyl]benzene","","- C42 H42 N6 -","- C42 H42 N6 -","- C252 H252 N36 -","6","0.333333","","Robert T. Stibrany; Chengmin Zhang; Thomas J. Emge; Harvey J. Schugar; Joseph A. Potenza; Spencer Knapp","A Tris(pyrazolyl) η6-Arene Ligand That Selects Cu(I) over Cu(II)","Inorganic Chemistry","2006","45","","9713","9720","10.1021/ic060980+","","","0.71073","MoKα","","0.0985","0.0769","","","0.127","0.1342","","","","","","1.295","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327309","12.7358","0.0004","12.7358","0.0004","44.271","0.003","90","","90","","120","","6218.7","0.5","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","[Cu^I^4(trif)]^.^C6 H14","[(1,3,5-Tris[2'-((pyrazol-1-yl)methyl) phenyl]benzene)copper(I)](trifluoromethanesulfonate) ^.^ hexane","","- C37 H30 Cu F3 N6 O3 S -","- C37 H30 Cu F3 N6 O3 S -","- C222 H180 Cu6 F18 N36 O18 S6 -","6","0.333333","","Robert T. Stibrany; Chengmin Zhang; Thomas J. Emge; Harvey J. Schugar; Joseph A. Potenza; Spencer Knapp","A Tris(pyrazolyl) η6-Arene Ligand That Selects Cu(I) over Cu(II)","Inorganic Chemistry","2006","45","","9713","9720","10.1021/ic060980+","","","0.71073","MoKα","","0.0613","0.0404","","","0.081","0.0869","","","","","","1","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327310","13.1505","0.0004","13.1505","0.0004","44.152","0.003","90","","90","","120","","6612.5","0.5","223","1","223","1","","","","","","","","7","R -3 :H","-R 3","148","[Ag^I^(trif)]^.^0.5(C3 H6 O)^.^0.5(C4 H10 O)","[(1,3,5-Tris[2'-((pyrazol-1-yl)methyl) phenyl]benzene)silver(I)](trifluoromethanesulfonate) ^.^ 0.5 acetone ^.^ 0.5 diethylether","","- C37 H30 Ag F3 N6 O3 S -","- C37 H30 Ag F3 N6 O3 S -","- C222 H180 Ag6 F18 N36 O18 S6 -","6","0.333333","","Robert T. Stibrany; Chengmin Zhang; Thomas J. Emge; Harvey J. Schugar; Joseph A. Potenza; Spencer Knapp","A Tris(pyrazolyl) η6-Arene Ligand That Selects Cu(I) over Cu(II)","Inorganic Chemistry","2006","45","","9713","9720","10.1021/ic060980+","","","0.71073","MoKα","","0.062","0.0564","","","0.157","0.1634","","","","","","1","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327327","6.6524","0.0013","6.6524","0.0013","39.615","0.015","90","","90","","120","","1518.3","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ag Bi P2 Se6 -","- Ag Bi P2 Se6 -","- Ag6 Bi6 P12 Se36 -","6","0.333333","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.0446","0.037","","","0.0936","0.0982","","","","","","1.124","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327328","6.5532","0.0016","6.5532","0.0016","39.762","0.013","90","","90","","120","","1478.8","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Bi Cu P2 Se6 -","- Bi Cu P2 Se6 -","- Bi6 Cu6 P12 Se36 -","6","0.333333","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.0504","0.0481","","","0.116","0.1168","","","","","","1.199","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327329","6.5591","0.001","6.5591","0.001","79.385","0.018","90","","90","","120","","2957.7","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Bi Cu P2 Se6 -","- Bi Cu P2 Se6 -","- Bi12 Cu12 P24 Se72 -","12","0.666667","","Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis","On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion","Inorganic Chemistry","2005","44","","5293","5303","10.1021/ic050357+","","","0.71073","MoKα","","0.091","0.0786","","","0.2064","0.2117","","","","","","1.175","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327368","26.731","0.004","26.731","0.004","21.435","0.004","90","","90","","120","","13264","4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H138 La8 N54 O66 S12 -","- C126 H90 La8 N54 O66 S12 -","- C378 H270 La24 N162 O198 S36 -","3","0.166667","","Hongwei Hou; Yongli Wei; Yinglin Song; Yaoting Fan; Yu Zhu","First Octameric Ellipsoid Lanthanide(III) Complexes: Crystal Structure and Nonlinear Optical Absorptive and Refractive Properties","Inorganic Chemistry","2004","43","","1323","1327","10.1021/ic035244+","","","0.71073","MoKα","","0.0971","0.0786","","","0.2055","0.2168","","","","","","1.122","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327369","26.68","0.004","26.68","0.004","21.388","0.004","90","","90","","120","","13185","4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H138 Ce8 N54 O66 S12 -","- C126 H90 Ce8 N54 O66 S12 -","- C378 H270 Ce24 N162 O198 S36 -","3","0.166667","","Hongwei Hou; Yongli Wei; Yinglin Song; Yaoting Fan; Yu Zhu","First Octameric Ellipsoid Lanthanide(III) Complexes: Crystal Structure and Nonlinear Optical Absorptive and Refractive Properties","Inorganic Chemistry","2004","43","","1323","1327","10.1021/ic035244+","","","0.71073","MoKα","","0.0863","0.0686","","","0.1717","0.1808","","","","","","1.086","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327379","20.1483","0.0005","20.1483","0.0005","19.0249","0.0005","90","","90","","120","","6688.5","0.3","150","","150","","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C70 H100 Cu6 N24 O13 S6 -","- C70.0008 H100.002 Cu6 N24 O13.0002 S6 -","- C210.002 H300.006 Cu18 N72 O39.0006 S18 -","3","0.166667","","Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)","Inorganic Chemistry","2004","43","","4121","4123","10.1021/ic035451+","","","0.71073","MoKα","","","0.0346","","","","0.0416","","","","","","1.0684","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328024","10.9589","0.0014","10.9589","0.0014","21.28","0.005","90","","90","","120","","2213.3","0.7","100","2","100","1","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) tetrafluoroborate","","- C26 H32 B2 F8 Fe N12 -","- C26 H32 B2 F8 Fe N12 -","- C78 H96 B6 F24 Fe3 N36 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.044","0.0328","","","0.072","0.0754","","","","","","1.054","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328025","11.182","0.0009","11.182","0.0009","21.578","0.003","90","","90","","120","","2336.6","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) tetrafluoroborate","","- C26 H32 B2 F8 Fe N12 -","- C26 H32 B2 F8 Fe N12 -","- C78 H96 B6 F24 Fe3 N36 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0585","0.0395","","","0.0918","0.0983","","","","","","1.046","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328026","11.0644","0.0012","11.0644","0.0012","21.42","0.005","90","","90","","120","","2270.9","0.6","173","0.2","173","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0521","0.0385","","","0.1091","0.1195","","","","","","1.053","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328027","11.1522","0.0012","11.1522","0.0012","21.492","0.005","90","","90","","120","","2314.9","0.6","243","0.2","243","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0661","0.0464","","","0.1317","0.1448","","","","","","1.04","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328028","11.1783","0.001","11.1783","0.001","21.515","0.004","90","","90","","120","","2328.2","0.5","263","0.2","263","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0626","0.0479","","","0.1421","0.154","","","","","","1.045","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328029","11.1948","0.0007","11.1948","0.0007","21.613","0.003","90","","90","","120","","2345.7","0.4","283","0.2","283","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0688","0.0496","","","0.1506","0.1668","","","","","","1.043","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328030","11.2103","0.0006","11.2103","0.0006","21.708","0.002","90","","90","","120","","2362.6","0.3","300","0.2","300","0.2","","","","","","","","6","R -3 :H","-R 3","148","","bis(tris(5-methylpyrazolylmethane))iron(II) perchlorate","","- C26 H32 Cl2 Fe N12 O8 -","- C26 H32 Cl2 Fe N12 O8 -","- C78 H96 Cl6 Fe3 N36 O24 -","3","0.166667","","Margaret A. Goodman; Alexander Y. Nazarenko; Barbara J. Casavant; Zhanjie Li; William W. Brennessel; Michael J. DeMarco; Gen Long; M. Scott Goodman","Tris(5-methylpyrazolyl)methane: Synthesis and Properties of Its Iron(II) Complex","Inorganic Chemistry","2012","51","","1084","1093","10.1021/ic2022038","","","0.71073","MoKα","","0.0722","0.051","","","0.1581","0.1779","","","","","","1.076","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328250","16.687","0.002","16.687","0.002","38.706","0.006","90","","90","","120","","9334","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H132 F6 N20 Ni3 O12 -","- C114 H132 F6 N20 Ni3 O12 -","- C342 H396 F18 N60 Ni9 O36 -","3","0.166667","","Long Jiang; Xian-Rui Meng; Hua Xiang; Ping Ju; Di-Chang Zhong; Tong-Bu Lu","Variations of Structures and Gas Sorption Properties of Three Coordination Polymers Induced by Fluorine Atom Positions in Azamacrocyclic Ligands","Inorganic Chemistry","2012","51","","1874","1880","10.1021/ic202168r","","","1.54178","CuKα","","0.0924","0.068","","","0.2042","0.218","","","","","","0.934","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328341","35.6736","0.0007","35.6736","0.0007","32.516","0.0009","90","","90","","120","","35836.2","1.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H54 B3 F6 Fe4 N18 O12 -","- C36 H54 B3 F6 Fe4 N18 O12 -","- C648 H972 B54 F108 Fe72 N324 O216 -","18","1","","Michael J. Rose; Jay R. Winkler; Harry B. Gray","Fe4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF2)2Fe(L)2] (L = MeCN,tBuiNC)","Inorganic Chemistry","2012","51","","1980","1982","10.1021/ic202253v","","","0.71073","MoKα","","0.1438","0.0886","","","0.1183","0.1197","","","","","","3.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4328471","32.4964","0.0018","32.4964","0.0018","16.3282","0.001","90","","90","","120","","14932.7","1.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C239 H282 N24 -","- C239 H281.999 N24 -","- C716.999 H845.998 N72 -","3","0.166667","","Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer","Axial Functionalization of Sterically Hindered Titanium Phthalocyanines","Inorganic Chemistry","2012","51","","2709","2717","10.1021/ic202749v","","","0.71073","MoKα","","0.3209","0.0586","","","0.1043","0.1782","","","","","","0.791","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328853","27.497","0.003","27.497","0.003","21.844","0.003","90","","90","","120","","14303","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C150 H192 Cu6 Gd6 N30 O72 -","- C150 H174 Cu6 Gd6 N30 O72 -","- C450 H522 Cu18 Gd18 N90 O216 -","3","0.166667","","Alina S. Dinca; Alberto Ghirri; Augustin M. Madalan; Marco Affronte; Marius Andruh","Dodecanuclear [CuII6GdIII6] Nanoclusters as Magnetic Refrigerants","Inorganic Chemistry","2012","51","","3935","3937","10.1021/ic3001762","","","0.71073","MoKα","","0.1059","0.0654","","","0.1453","0.163","","","","","","0.963","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328895","37.0817","0.0008","37.0817","0.0008","16.1486","0.0005","90","","90","","120","","19230.2","0.8","107.5","","107.5","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H44 Cl3 Lu N8 O4 -","- C36 H30 Cl3 Lu N8 O2 -","- C648 H540 Cl54 Lu18 N144 O36 -","18","1","","Christine Doffek; Nicola Alzakhem; Mariusz Molon; Michael Seitz","Rigid, Perdeuterated Lanthanoid Cryptates: Extraordinarily Bright Near-IR Luminophores.","Inorganic Chemistry","2012","51","","4539","4545","10.1021/ic202376k","","","0.71073","MoKα","","0.0755","0.0601","","","0.1798","0.19","","","","","","1.082","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328914","20.3753","0.0001","20.3753","0.0001","26.3587","0.0003","90","","90","","120","","9476.82","0.13","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 Cl6 Cu6 N12 O72 Sb2 W18 -","- C48 Cl6 Cu6 N12 O72 Sb2 W18 -","- C144 Cl18 Cu18 N36 O216 Sb6 W54 -","3","0.166667","","Toshihiro Yamase; Hirofumi Ishikawa; Hiroko Abe; Keisuke Fukaya; Hiroyuki Nojiri; Hideo Takeuchi","Molecular Magnetism of M~6-Hexagon Ring in D~3d~-Symmetric [(MCl)~6~(XW~9~O~33~)~2~]^12-^ (M=Cu^II^ and Mn^II^, X=Sb^III^ and As^III^)","Inorganic Chemistry","2012","51","","4606","4619","10.1021/ic202513q","","","0.7107","MoKα","","","0.03","","","","0.095","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328915","20.12","0.02","20.12","0.02","27.43","0.03","90","","90","","120","","9616","17","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 As2 Cl6 Mn6 N12 O72 W18 -","- C48 As2 Cl6 Mn6 N12 O72 W18 -","- C144 As6 Cl18 Mn18 N36 O216 W54 -","3","0.166667","","Toshihiro Yamase; Hirofumi Ishikawa; Hiroko Abe; Keisuke Fukaya; Hiroyuki Nojiri; Hideo Takeuchi","Molecular Magnetism of M~6-Hexagon Ring in D~3d~-Symmetric [(MCl)~6~(XW~9~O~33~)~2~]^12-^ (M=Cu^II^ and Mn^II^, X=Sb^III^ and As^III^)","Inorganic Chemistry","2012","51","","4606","4619","10.1021/ic202513q","","","0.7107","MoKα","","","0.023","","","","0.051","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329056","21.2378","0.0003","21.2378","0.0003","31.7593","0.0007","90","","90","","120","","12405.7","0.4","150","1","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H66 N6 O15 S6 Ti3 -","- C84 H66 N6 O15 S6 Ti3 -","- C504 H396 N36 O90 S36 Ti18 -","6","0.333333","","Alberto Donzelli; Imir Metushi; Pierre G. Potvin","Titanium(IV) Complexes of Disulfide-Linked Schiff Bases","Inorganic Chemistry","2012","51","","5138","5145","10.1021/ic202709x","","","0.71073","MoKα","","0.079","0.0543","","","0.1541","0.1676","","","","","","1.059","","","","has coordinates","179393","2020-10-21","18:00:00",""
"4329139","13.785","0.003","13.785","0.003","57.28","0.02","90","","90","","120","","9426","4","291","2","291","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","1 at 291","","- C62 H62 Cl Co2 N4 O10 P3 -","- C61.95 H61.95 Cl Co2 N3.99 O10 P3 -","- C371.7 H371.7 Cl6 Co12 N23.94 O60 P18 -","6","0.333333","","John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck","Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L""], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]","Inorganic Chemistry","2012","51","","4903","4905","10.1021/ic3004799","","x-ray","0.71073","MoKα","","0.1469","0.049","","","0.1025","0.1292","","","","","","0.974","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329140","13.526","0.001","13.526","0.001","57.341","0.004","90","","90","","120","","9085.2","1.1","100","2","100","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","1 at 100","","- C62 H62 Cl Co2 N4 O10 P3 -","- C61.95 H61.95 Cl Co1.99 N3.99 O10 P3 -","- C371.7 H371.7 Cl6 Co11.94 N23.94 O60 P18 -","6","0.333333","","John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck","Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L""], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]","Inorganic Chemistry","2012","51","","4903","4905","10.1021/ic3004799","","x-ray","0.71069","MoKα","","0.0849","0.0518","","","0.1126","0.1328","","","","","","1.018","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329360","26.907","0.002","26.907","0.002","28.712","0.004","90","","90","","120","","18002","3","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H81.3 Ni4 O23.3 S5 -","- C12 H18 Ni4 O18 S4 -","- C216 H324 Ni72 O324 S72 -","18","1","","Jia Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Magnetic Nanosized {MII24}-Wheel-Based (M = Co, Ni) Coordination Polymers","Inorganic Chemistry","2012","51","","5988","5990","10.1021/ic300487a","","","1.54178","CuKα","","0.1445","0.09","","","0.2218","0.29","","","","","","0.982","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329361","27.402","0.004","27.402","0.004","28.865","0.006","90","","90","","120","","18770","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H50 Co4 O26 S6 -","- C14 H24 Co4 O18 S5 -","- C252 H432 Co72 O324 S90 -","18","1","","Jia Li; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Magnetic Nanosized {MII24}-Wheel-Based (M = Co, Ni) Coordination Polymers","Inorganic Chemistry","2012","51","","5988","5990","10.1021/ic300487a","","","0.71073","MoKα","","0.1602","0.0866","","","0.2072","0.2356","","","","","","1.013","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329562","14.9676","0.0011","14.9676","0.0011","63.056","0.004","90","","90","","120","","12233.8","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H31.5 Cr F12 N8.5 P2 -","- C41 H29.985 Cr F12 N8.5 P2 -","- C492 H359.82 Cr12 F144 N102 P24 -","12","0.666667","","Christopher C. Scarborough; Stephen Sproules; Christian J. Doonan; Karl S. Hagen; Thomas Weyhermüller; Karl Wieghardt","Scrutinizing Low-Spin Cr(II) Complexes","Inorganic Chemistry","2012","51","","6969","6982","10.1021/ic300882r","","","0.71073","MoKα","","0.128","0.1069","","","0.2315","0.2415","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330231","46.5858","0.0013","46.5858","0.0013","8.8708","0.0003","90","","90","","120","","16672.5","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16 H45 F3 Ge7 N8 O15 Zn2 -","- C16 H45 F3 Ge7 N8 O15 Zn2 -","- C288 H810 F54 Ge126 N144 O270 Zn36 -","18","1","","Quang Bac Nguyen; Kwang-Hwa Lii","(C8H22N4Zn)2Ge7O14(OH)F3: A One-Dimensional Zinc Germanate Containing Hollow Columns with an 18-Membered Window","Inorganic Chemistry","2012","51","","9150","9152","10.1021/ic301216q","","","0.71073","MoKα","","0.0762","0.0396","","","0.0923","0.1047","","","","","","1.016","","","","has coordinates,has disorder","179405","2020-10-21","18:00:00",""
"4330508","20.251","0.002","20.251","0.002","25.625","0.003","90","","90","","120","","9101","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H75 Co3 F6 N6 P4 -","- C66 H75 Co3 F6 N6 P4 -","- C396 H450 Co18 F36 N36 P24 -","6","0.333333","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0519","0.0354","","","0.0808","0.0879","","","","","","1.026","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330666","32.206","0.0003","32.206","0.0003","31.789","0.0003","90","","90","","120","","28554.9","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C168 H267 Cr Mn6 N18 O36 -","- C168 H258 Cr Mn6 N18 O36 -","- C1008 H1548 Cr6 Mn36 N108 O216 -","6","0.333333","","Veronika Hoeke; Maik Heidemeier; Erich Krickemeyer; Anja Stammler; Hartmut Bögge; Jürgen Schnack; Andrei Postnikov; Thorsten Glaser","Environmental Influence on the Single-Molecule Magnet Behavior of [MnIII6CrIII]3+: Molecular Symmetry versus Solid-State Effects","Inorganic Chemistry","2012","51","","10929","10954","10.1021/ic301406j","","","0.71073","MoKα","","0.0722","0.0575","","","0.1515","0.1608","","","","","","1.098","","","","has coordinates,has disorder","179409","2020-10-21","18:00:00",""
"4330763","11.2083","0.0007","11.2083","0.0007","30.269","0.003","90","","90","","120","","3293.1","0.4","125","2","125","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C6 H8 Mn O4 -","- C6 H8 Mn O4 -","- C108 H144 Mn18 O72 -","18","1","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","0.71073","MoKα","","0.0561","0.0509","","","0.1319","0.1377","","","","","","1.037","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4331134","11.6034","0.0006","11.6034","0.0006","37.89","0.0026","90","","90","","120","","4418","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H32.5 B2 F4 Fe N9.5 -","- C21 H31 B2 F4 Fe N9 -","- C126 H186 B12 F24 Fe6 N54 -","6","0.333333","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.0474","0.0448","","","0.1352","0.1382","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331135","11.6161","0.0009","11.6161","0.0009","37.839","0.004","90","","90","","120","","4421.7","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H32.5 B2 Co F4 N9.5 -","- C21 H31 B2 Co F4 N9 -","- C126 H186 B12 Co6 F24 N54 -","6","0.333333","","Shengwen Liang; Haoshuang Wang; Tapash Deb; Jeffrey L. Petersen; Gordon T. Yee; Michael P. Jensen","Structural and Spectroscopic Trends in a Series of Half-Sandwich Scorpionate Complexes","Inorganic Chemistry","2012","51","","12707","12719","10.1021/ic301409s","","","0.71073","MoKα","","0.063","0.047","","","0.1385","0.1478","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331150","29.4119","0.0003","29.4119","0.0003","15.435","0.0002","90","","90","","120","","11563.3","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","[Fe^II^{(CN)Fe^III^(msalept)}~6~]Cl~2~.10H~2~O","","","- C132 H170 Cl2 Fe7 N24 O34 -","- C132 H150 Fe7 N24 O24 -","- C396 H450 Fe21 N72 O72 -","3","0.166667","","Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz","Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction","Inorganic Chemistry","2012","51","","12755","12767","10.1021/ic3015833","","","0.71073","MoKα","","0.0664","0.0426","","","0.1135","0.118","","","","","","1.047","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331439","14.389","","14.389","","9.915","","90","","90","","120","","1777.81","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Zr6 B Cl1.27 I10.73","","- B Cl1.27 I10.73 Zr6 -","- B Cl1.272 I10.728 Zr6 -","- B3 Cl3.816 I32.184 Zr18 -","3","0.166667","","Corbett, J.D.; Koeckerling, M.; Qi, R.-Y.","The first mixed-halide zirconium cluster compounds: Zr6 Cl1.6 I10.4 Be, Zr6 Cl1.3 I10.7 B, and Zr6 Cl11.5 I1.5 B. Matrix effects and halogen substitution in compact network structures","Inorganic Chemistry","1996","35","","1437","1443","10.1021/ic950889y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331749","9.3049","0.0014","9.3049","0.0014","47.88","0.011","90","","90","","120","","3590.1","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H33 Mn3 N3 O16.5 P3 -","- C9 H33 Mn3 N3 O16.5 P3 -","- C54 H198 Mn18 N18 O99 P18 -","6","0.333333","","Bao, Song-Song; Chen, Gang-Sheng; Wang, Yin; Li, Yi-Zhi; Zheng, Li-Min; Luo, Qin-Hui","Incorporation of Triazacyclononane into the Metal Phosphonate Backbones","Inorganic Chemistry","2006","45","3","1124","1129","10.1021/ic051498e","","","0.71073","MoKα","","0.0709","0.0516","","","0.1025","0.1058","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332105","21.64","0.02","21.64","0.02","46.42","0.06","90","","90","","120","","18826","3","153","2","153","1","","","","","","","","9","R -3 :H","-R 3","148","","","","- C33 H36 B F6 N6 O2 P S2 W -","- C33 H36 B F6.02 N6 O2 P1.00333 S2 W -","- C594 H648 B18 F108.36 N108 O36 P18.06 S36 W18 -","18","1","","Seidel, Wolfram W.; Ibarra Arias, Maria D.; Schaffrath, Markus; Jahnke, Mareike C.; Hepp, Alexander; Pape, Tania","Molybdenum and Tungsten η2-Alkyne-1-thio Complexes Acting as Sulfur Donors in Homoleptic Werner Type Complexes with Nickel(II) and Palladium(II)","Inorganic Chemistry","2006","45","12","4791","4800","10.1021/ic052178y","","","0.71073","MoKα","","0.0772","0.0546","","","0.1556","0.168","","","","","","0.997","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332123","21.967","0.009","21.967","0.009","15.026","0.009","90","","90","","120","","6279","5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C60 H114 Ni8 O30 -","- C60 H108 Ni8 O30 -","- C180 H324 Ni24 O90 -","3","0.166667","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.3487","0.0892","","","0.1858","0.2598","","","","","","0.817","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332212","18.156","0.002","18.156","0.002","54.495","0.01","90","","90","","120","","15557","4","130.15","","130.15","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C87 H90 Cl8 Cu4 O9 P4 S12 Sn3 -","- C87 H90 Cl8 Cu4 O9.01 P4 S12 Sn3 -","- C522 H540 Cl48 Cu24 O54.06 P24 S72 Sn18 -","6","0.333333","","Wang, Xin; Sheng, Tian-Lu; Fu, Rui-Biao; Hu, Sheng-Min; Xiang, Sheng-Chang; Wang, Long-Sheng; Wu, Xin-Tao","Assembly of a Heterometallic Polynuclear SnIV−CuICluster Based on Sn(edt)2(edt = Ethane-1,2-dithiolate) as a Metalloligand","Inorganic Chemistry","2006","45","14","5236","5238","10.1021/ic060131m","","","0.71073","MoKα","","0.0515","0.0496","","","0.1032","0.1042","","","","","","1.114","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332432","11.151","0.004","11.151","0.004","13.45","0.006","90","","90","","120","","1448.4","1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cl2 Ni7 O18 Te6 -","- Cl2 Ni7 O18 Te6 -","- Cl6 Ni21 O54 Te18 -","3","0.166667","","Jiang, Hai-Long; Mao, Jiang-Gao","New Members in the Nin+1(QO3)nX2Family: Unusual 3D Network Based on Ni4ClO3Cubane-like Clusters in Ni7(TeO3)6Cl2","Inorganic Chemistry","2006","45","19","7593","7599","10.1021/ic060356x","","","0.71073","MoKα","","0.0325","0.0314","","","0.0799","0.0807","","","","","","1.323","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332655","50.9328","0.0008","50.9328","0.0008","27.6308","0.0007","90","","90","","120","","62075","2","150","2","150","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C223 H188 Cl57 D17 N6 O20 P12 Pd6 -","- C210 H192 Cl18 N6 O20 P12 Pd6 -","- C1890 H1728 Cl162 N54 O180 P108 Pd54 -","9","0.5","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.0695","0.0511","","","0.1486","0.1604","","","","","","1.098","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332656","34.865","0.009","34.865","0.009","16.076","0.006","90","","90","","120","","16923","9","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C212 H206 Cl24 N6 O26 P12 Pd6 -","- C211.98 H192 Cl24 N6 O25.98 P12 Pd6 -","- C635.94 H576 Cl72 N18 O77.94 P36 Pd18 -","3","0.166667","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.1046","0.047","","","0.1167","0.1477","","","","","","1.005","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332657","50.7094","0.0013","50.7094","0.0013","27.6292","0.001","90","","90","","120","","61528","3","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C221 H180 Cl51 D17 I6 N6 O18 P12 Pd6 -","- C215 H191 Cl33 I6 N6 O18 P12 Pd6 -","- C1935 H1719 Cl297 I54 N54 O162 P108 Pd54 -","9","0.5","","Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M.","Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands","Inorganic Chemistry","2006","45","17","6761","6770","10.1021/ic060629o","","","0.71073","MoKα","","0.0931","0.0547","","","0.1557","0.1722","","","","","","1.087","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332805","9.4586","0.0014","9.4586","0.0014","12.4692","0.0019","90","","90","","120","","966.1","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co1.25 O3.67 Sr1.5 -","- Co1.25 O3.645 Sr1.5 -","- Co15 O43.74 Sr18 -","12","0.666667","","Sun, Junliang; Li, Guobao; Li, Zhaofei; You, Liping; Lin, Jianhua","Crystal Growth and Structure Determination of Oxygen-Deficient Sr6Co5O15","Inorganic Chemistry","2006","45","20","8394","8402","10.1021/ic060862m","","","0.71073","MoKα","","0.0405","0.0388","","","0.0798","0.0805","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332806","9.4401","0.0011","9.4401","0.0011","12.476","0.003","90","","90","","120","","962.9","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co1.25 O3.59 Sr1.5 -","- Co1.25 O3.543 Sr1.5 -","- Co15 O42.516 Sr18 -","12","0.666667","","Sun, Junliang; Li, Guobao; Li, Zhaofei; You, Liping; Lin, Jianhua","Crystal Growth and Structure Determination of Oxygen-Deficient Sr6Co5O15","Inorganic Chemistry","2006","45","20","8394","8402","10.1021/ic060862m","","","0.71073","MoKα","","0.0414","0.0391","","","0.085","0.0861","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332807","9.4401","0.0011","9.4401","0.0011","12.476","0.003","90","","90","","120","","962.9","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co1.25 O3.56 Sr1.5 -","- Co1.25 O3.552 Sr1.5 -","- Co15 O42.624 Sr18 -","12","0.666667","","Sun, Junliang; Li, Guobao; Li, Zhaofei; You, Liping; Lin, Jianhua","Crystal Growth and Structure Determination of Oxygen-Deficient Sr6Co5O15","Inorganic Chemistry","2006","45","20","8394","8402","10.1021/ic060862m","","","0.71073","MoKα","","0.0413","0.039","","","0.0851","0.0863","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333136","15.7088","0.0006","15.7088","0.0006","16.4763","0.0012","90","","90","","120","","3521.1","0.3","163","2","163","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H39 Ce -","- C27 H39 Ce -","- C162 H234 Ce6 -","6","0.333333","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0193","0.0161","","","0.0379","0.0395","","","","","","1.121","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333137","15.6697","0.0006","15.6697","0.0006","16.4894","0.0011","90","","90","","120","","3506.4","0.3","163","2","163","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H39 Pr -","- C27 H39 Pr -","- C162 H234 Pr6 -","6","0.333333","","Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.","Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen","Inorganic Chemistry","2006","45","26","10790","10798","10.1021/ic061485g","","","0.71073","MoKα","","0.0145","0.0128","","","0.0304","0.0315","","","","","","1.211","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333281","27.105","0.0005","27.105","0.0005","11.2195","0.0004","90","","90","","120","","7138.4","0.3","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C13 H10 Cl N4 O3 Re -","- C13 H10 Cl N4 O3 Re -","- C234 H180 Cl18 N72 O54 Re18 -","18","1","","Kirgan, Robert; Simpson, Megan; Moore, Curtis; Day, Jeff; Bui, Loan; Tanner, Clayton; Rillema, D. Paul","Synthesis, characterization, photophysical, and computational studies of rhenium(I) tricarbonyl complexes containing the derivatives of bipyrazine.","Inorganic chemistry","2007","46","16","6464","6472","10.1021/ic700512j","","","0.71073","MoKα","","0.029","0.0238","","","0.0394","0.0401","","","","","","1.121","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333282","33.2103","0.0003","33.2103","0.0003","10.6556","0.0002","90","","90","","120","","10177.8","0.2","273","2","273","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18.28 H15 F6 N5.22 O3 P Re -","- C18.3 H15 F6 N5.2 O3 P Re -","- C329.4 H270 F108 N93.6 O54 P18 Re18 -","18","1","","Kirgan, Robert; Simpson, Megan; Moore, Curtis; Day, Jeff; Bui, Loan; Tanner, Clayton; Rillema, D. Paul","Synthesis, characterization, photophysical, and computational studies of rhenium(I) tricarbonyl complexes containing the derivatives of bipyrazine.","Inorganic chemistry","2007","46","16","6464","6472","10.1021/ic700512j","","","0.71073","MoKα","","0.0344","0.0233","","","0.0503","0.0534","","","","","","1.054","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333291","20.7184","0.0007","20.7184","0.0007","32.921","0.002","90","","90","","120","","12238.2","0.9","298","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C56 H72 Ag3 F9 N10 O15 S12 -","- C56 H66 Ag3 F9 N10 O15 S12 -","- C336 H396 Ag18 F54 N60 O90 S72 -","6","0.333333","","Habata, Yoichi; Noto, Kanae; Osaka, Futoshi","Substituent Effects on the Structures of Silver Complexes with Monoazatrithia-12-Crown-4 Ethers Bearing Substituted Aromatic Rings","Inorganic Chemistry","2007","46","16","6529","6534","10.1021/ic700538f","","","0.71073","MoKα","","0.0949","0.0758","","","0.2228","0.2461","","","","","","1.069","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333357","7.272","0.002","7.272","0.002","26.563","0.003","90","","90","","120","","1216.5","0.5","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C2 Ag0.56 Au0.44 K N2 -","- C2 Ag0.556 Au0.444 K N2 -","- C18 Ag5.004 Au3.996 K9 N18 -","9","0.5","","Hettiarachchi, Samanthika R.; Schaefer, Brian K.; Yson, Renante L.; Staples, Richard J.; Herbst-Irmer, Regine; Patterson, Howard H.","Observation of a Mixed-Metal Transition in Heterobimetallic Au/Ag Dicyanide Systems","Inorganic Chemistry","2007","46","17","6997","7004","10.1021/ic700780k","","","0.71073","MoKα","","0.0198","0.0193","","","0.0486","0.0488","","","","","","1.079","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333414","13.835","0.002","13.835","0.002","21.163","0.004","90","","90","","120","","3508.1","1","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H30 Cl Fe N12 Ni2 O10 -","- C36 H30 Cl1.02 Fe N12 Ni2 O10.08 -","- C108 H90 Cl3.06 Fe3 N36 Ni6 O30.24 -","3","0.166667","","Chaudhuri, Phalguni; Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Biswas, Biplab; Bothe, Eberhard; Bill, Eckhard","Tridentate Facial Ligation of Tris(pyridine-2-aldoximato)nickel(II) and Tris(imidazole-2-aldoximato)nickel(II) To Generate NiIIFeIIINiII, MnIIINiII, NiIINiII, and ZnIINiIIand the Electrooxidized MnIVNiII, NiIINiIII, and ZnIINiIIISpecies: A Magnetostructural, Electrochemical, and EPR Spectroscopic Study","Inorganic Chemistry","2007","46","21","9003","9016","10.1021/ic701073j","","","0.71073","MoKα","","0.092","0.0626","","","0.1785","0.2041","","","","","","1.122","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333646","31.1071","0.0006","31.1071","0.0006","54.3615","0.001","90","","90","","120","","45555.5","1.5","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C720 H584 B16 Co8 N72 -","- C624 H504 B12 Co8 N72 -","- C1872 H1512 B36 Co24 N216 -","3","0.166667","","Simon Turega; Martina Whitehead; Benjamin R. Hall; Anthony J. H. M. Meijer; Christopher A. Hunter; Michael D. Ward","Shape-, Size-, and Functional Group-Selective Binding of Small Organic Guests in a Paramagnetic Coordination Cage","Inorganic Chemistry","2013","52","","1122","1132","10.1021/ic302498t","","","0.71073","MoKα","","0.1184","0.0948","","","0.281","0.297","","","","","","1.216","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333898","22.681","0.002","22.681","0.002","12.7768","0.0012","90","","90","","120","","5692.2","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H85 Ag7 O12 P6 Se12 -","- C36 H85 Ag7 O12 P6 Se12 -","- C108 H255 Ag21 O36 P18 Se36 -","3","0.166667","","C. W. Liu; Yan-Ru Lin; Ching-Shiang Fang; Camille Latouche; Samia Kahlal; Jean-Yves Saillard","[Ag7(H){E2P(OR)2}6] (E = Se, S): Precursors for the Fabrication of Silver Nanoparticles","Inorganic Chemistry","2013","52","","2070","2077","10.1021/ic302482p","","","0.71073","MoKα","","0.0737","0.0456","","","0.1161","0.1296","","","","","","1.103","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333899","21.087","0.003","21.087","0.003","11.6295","0.0016","90","","90","","120","","4478.4","1.1","253","2","253","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H61 Ag7 O12 P6 S12 -","- C24 H61 Ag7 O12 P6 S12 -","- C72 H183 Ag21 O36 P18 S36 -","3","0.166667","","C. W. Liu; Yan-Ru Lin; Ching-Shiang Fang; Camille Latouche; Samia Kahlal; Jean-Yves Saillard","[Ag7(H){E2P(OR)2}6] (E = Se, S): Precursors for the Fabrication of Silver Nanoparticles","Inorganic Chemistry","2013","52","","2070","2077","10.1021/ic302482p","","","0.71073","MoKα","","0.0868","0.0605","","","0.1504","0.1733","","","","","","1.043","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4334056","13.181","0.01","13.181","0.01","43.83","0.06","90","","90","","120","","6595","11","103","2","103","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C68 H104 Cd6 Cl2 N12 O15 S12 -","- C68 H104.04 Cd6 Cl2 N12 O15 S12 -","- C204 H312.12 Cd18 Cl6 N36 O45 S36 -","3","0.166667","","Wei Lai; Steven M. Berry; William P. Kaplan; Malia S. Hain; John C. Poutsma; Raymond J. Butcher; Robert D. Pike; Deborah C. Bebout","Carbonate-Templated Self-Assembly of an Alkylthiolate-Bridged Cadmium Macrocycle","Inorganic Chemistry","2013","52","","2286","2288","10.1021/ic302740j","","","0.71073","MoKα","","0.0406","0.0288","","","0.0674","0.0713","","","","","","1.011","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334390","22.5337","0.0007","22.5337","0.0007","30.53","0.0011","90","","90","","120","","13425.3","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C156 H242 F18 Fe6 N26 O32 S6 -","- C155.999 H233.999 F18 Fe6 N25.9998 O32.0002 S6 -","- C467.998 H701.998 F54 Fe18 N77.9994 O96.0006 S18 -","3","0.166667","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0647","0.0505","","","0.1289","0.1407","","","","","","1.03","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334444","17.1836","0.0009","17.1836","0.0009","83.273","0.006","90","","90","","120","","21294","2","213","","213","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C126 H194 Cd Cl2 N6 O9 Pt3 S6 -","- C126 H192 Cd Cl1.999 N6 O8.9989 Pt3 S6 -","- C756 H1152 Cd6 Cl11.994 N36 O53.9934 Pt18 S36 -","6","0.333333","","Hirotaka Honda; Takeshi Matsumoto; Misaki Sakamoto; Atsushi Kobayashi; Ho-Chol Chang; Masako Kato","Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II) Complexes with Cadmium(II) Ion via Selective Dative Bond Formation","Inorganic Chemistry","2013","52","","4324","4334","10.1021/ic302352k","","","0.71075","MoKα","","","0.0861","","","","0.2754","","","","","","1.041","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334812","20.815","0.0016","20.815","0.0016","35.285","0.005","90","","90","","120","","13240","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C135 H198 Cl2.5 Mn18 N28.5 O59 Sr -","- C130.02 H138 Cl2.46 Mn18 N28.56 O54.02 Sr -","- C390.06 H414 Cl7.38 Mn54 N85.68 O162.06 Sr3 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.71073","MoKα","","0.1146","0.0739","","","0.2001","0.2221","","","","","","0.977","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334813","20.9556","0.001","20.9556","0.001","34.328","0.002","90","","90","","120","","13055.1","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C131 H182 Mn18 N33 O64 Y -","- C130.98 H138 Mn18 N33 O63.98 Y -","- C392.94 H414 Mn54 N99 O191.94 Y3 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.71073","MoKα","","0.1162","0.0604","","","0.1425","0.165","","","","","","1.011","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334814","20.8765","0.0012","20.8765","0.0012","34.568","0.004","90","","90","","120","","13047.3","1.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C134.5 H196 Cd1.25 Cl3.7 Mn18 N26.4 O58.5 -","- C130.5 H138 Cd1.26 Cl3.74 Mn18 N26.4 O54.5 -","- C391.5 H414 Cd3.78 Cl11.22 Mn54 N79.2 O163.5 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.71073","MoKα","","0.1086","0.0508","","","0.1337","0.1641","","","","","","1.006","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334815","20.7696","0.0013","20.7696","0.0013","33.081","0.002","90","","90","","120","","12358.5","1.3","150","2","150","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C117 H139 Cl4.5 F12 Lu Mn18 N26.5 O54 -","- C117.06 H102 Cl4.5 F12 Lu Mn18 N26.52 O54.02 -","- C351.18 H306 Cl13.5 F36 Lu3 Mn54 N79.56 O162.06 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.8","synchrotron","","0.0663","0.0496","","","0.1545","0.1705","","","","","","1.048","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4335222","22.497","0.002","22.497","0.002","15.1236","0.0015","90","","90","","120","","6628.8","1.1","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H97 Cl18 Li6 N12 O48.5 Pu6 -","- C24 H72 Cl18 Li6 N12 O48.5 Pu6 -","- C72 H216 Cl54 Li18 N36 O145.5 Pu18 -","3","0.166667","","Karah E. Knope; L. Soderholm","Plutonium(IV) Cluster with a Hexanuclear [Pu6(OH)4O4]12+ Core","Inorganic Chemistry","2013","52","","6770","6772","10.1021/ic4007185","","","0.71073","MoKα","","0.0292","0.022","","","0.0434","0.0454","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335226","36.851","0.003","36.851","0.003","15.665","0.003","90","","90","","120","","18423","4","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H41 Au Cl5 O2 P2 Sb -","- C36 H41 Au Cl5 O2 P2 Sb -","- C648 H738 Au18 Cl90 O36 P36 Sb18 -","18","1","","Iou-Sheng Ke; François P. Gabbaï","σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine","Inorganic Chemistry","2013","52","","7145","7151","10.1021/ic400736b","","","0.71073","MoKα","","0.0479","0.0336","","","0.0849","0.0905","","","","","","1.074","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4335233","7.992","0.001","7.992","0.001","20.039","0.001","90","","90","","120","","1108.5","0.2","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","Tetramethylammonium hexafluorotechnetate(IV)","Tetramethyl ammonium hexafluorotechnetate(IV)","","- C8 H24 F6 N2 Tc -","- C8 H24 F6 N2 Tc -","- C24 H72 F18 N6 Tc3 -","3","0.166667","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0486","0.0481","","","0.1189","0.1193","","","","","","1.138","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335330","38.113","0.004","38.113","0.004","10.0207","0.0011","90","","90","","120","","12606","2","100","2","100","2","","","","","","","dichlormethane, methanole","5","R -3 :H","-R 3","148","","","","- C26 H30 N3 O4 V -","- C26 H30 N3 O4 V -","- C468 H540 N54 O72 V18 -","18","1","","Suman Kundu; Suvendu Maity; Thomas Weyhermüller; Prasanta Ghosh","Oxidovanadium Catechol Complexes: Radical versus Non-Radical States and Redox Series","Inorganic Chemistry","2013","52","","7417","7430","10.1021/ic400166z","","","0.71073","MoKα","","0.0401","0.0329","","","0.0901","0.0962","","","","","","1.056","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335626","24.5857","0.0009","24.5857","","34.7513","0.0013","90","","90","","120","","18191.4","1","100","2","100","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C132 H129 Fe3 P7 -","- C132 H129 Fe3 P7 -","- C792 H774 Fe18 P42 -","6","0.333333","","Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul","Triarylphosphine Ligands with Pendant Electron-Rich ""[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-"" Substituents","Inorganic Chemistry","2013","52","","8993","9004","10.1021/ic4011828","","x-ray","0.71073","MoKα","","0.0548","0.0441","","","0.1085","0.1138","","","","","","1.074","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335695","14.9559","0.0019","14.9559","0.0019","29.25","0.004","90","","90","","120","","5666.1","1.3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","FeCoL(Ph)","","","- C45 H42 Co Fe N7 -","- C45 H42 Co Fe N7 -","- C270 H252 Co6 Fe6 N42 -","6","0.333333","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.71073","MoKα","","0.0668","0.038","","","0.0834","0.0957","","","","","","1.011","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335697","14.9368","0.001","14.9368","0.001","29.1993","0.0019","90","","90","","120","","5641.8","0.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","Co2[PhNC(Ph)]3-tren","","","- C45 H42 Co2 N7 -","- C45 H42 Co2 N7 -","- C270 H252 Co12 N42 -","6","0.333333","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.71073","MoKα","","0.0655","0.0378","","","0.0965","0.1055","","","","","","0.974","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335698","14.9092","0.0006","14.9092","0.0006","29.191","0.0013","90","","90","","120","","5619.4","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H42 Co1.01 Fe0.99 N7 -","- C45 H42 Co1.011 Fe0.987 N7 -","- C270 H252 Co6.066 Fe5.922 N42 -","6","0.333333","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.4133","synchrotron","","0.0625","0.0377","","","0.0891","0.1006","","","","","","1.013","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335742","35.669","0.0006","35.669","0.0006","9.9695","0.0005","90","","90","","120","","10984.6","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 Mg N6 -","- C50 H50 B2 Mg N6 -","- C450 H450 B18 Mg9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.048","0.038","","","0.097","0.102","","","","","","1.06","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335743","35.6133","0.0004","35.6133","0.0004","10.0346","0.0001","90","","90","","120","","11021.9","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 Mn N6 -","- C50 H50 B2 Mn N6 -","- C450 H450 B18 Mn9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.068","0.05","","","0.137","0.144","","","","","","1.09","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335744","35.4883","0.0013","35.4883","0.0013","9.8652","0.0004","90","","90","","120","","10759.9","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50.5 H51 B2 Cl Fe N6 -","- C50.5048 H51.0096 B2 Cl1.0096 Fe N6 -","- C454.543 H459.086 B18 Cl9.0864 Fe9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.035","0.032","","","0.085","0.086","","","","","","1.08","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335745","35.4667","0.0012","35.4667","0.0012","9.8384","0.0005","90","","90","","120","","10717.6","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 Fe N6 -","- C50 H50 B2 Fe N6 -","- C450 H450 B18 Fe9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.074","0.047","","","0.104","0.111","","","","","","0.98","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335848","28.5168","0.0005","28.5168","0.0005","8.2245","0.0002","90","","90","","120","","5792.2","0.2","173.1","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H36 Cl Cs7 N24 O16 S6 -","- C72 H36 Cl Cs7 N24 O16 S6 -","- C216 H108 Cl3 Cs21 N72 O48 S18 -","3","0.166667","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0241","","","","0.0531","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335946","18.1579","0.0004","18.1579","0.0004","76.3832","0.0017","90","","90","","120","","21810.2","0.8","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C147 H102 Cl6 N24 O12 Pd12 -","- C147 H102 Cl6 N24 O12 Pd12 -","- C882 H612 Cl36 N144 O72 Pd72 -","6","0.333333","","Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun","Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules","Inorganic Chemistry","2013","52","","10424","10430","10.1021/ic401253q","","","1.54184","CuKα","","0.0513","0.0406","","0.0842","0.0749","0.0842","","","","","","1.0063","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4336116","34.3349","0.0006","34.3349","0.0006","37.949","0.0007","90","","90","","120","","38743.8","1.2","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C230 H211.5 Cu15 Gd7 N16.5 O83.5 -","- C229.93 H171 Cu15 Gd7 N16.5 O83.49 -","- C1379.58 H1026 Cu90 Gd42 N99 O500.94 -","6","0.333333","","Despina Dermitzaki; Giulia Lorusso; Catherine P. Raptopoulou; Vassilis Psycharis; Albert Escuer; Marco Evangelisti; Spyros P. Perlepes; Theocharis C. Stamatatos","Molecular Nanoscale Magnetic Refrigerants: A Ferrimagnetic {CuII15GdIII7} Cagelike Cluster from the Use of Pyridine-2,6-dimethanol","Inorganic Chemistry","2013","52","","10235","10237","10.1021/ic4020064","","","1.54718","","","0.0567","0.0506","","","0.1236","0.1287","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336452","40.5434","0.0017","40.5434","0.0017","11.0916","0.0004","90","","90","","120","","15789.4","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H23 Bi Br3 N3 O4 -","- C31 H23 Bi Br3 N3 O4 -","- C558 H414 Bi18 Br54 N54 O72 -","18","1","","Pauline J. Han; Arnold L. Rheingold; William C. Trogler","Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)","Inorganic Chemistry","2013","52","","12033","12045","10.1021/ic401850v","","","0.71073","MoKα","","0.0407","0.033","","","0.0812","0.0843","","","","","","1.032","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336590","28.602","0.005","28.602","0.005","25.675","0.004","90","","90","","120","","18190","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H41 Cl5 Ir P3 -","- C42 H39 Cl5 Ir P3 -","- C756 H702 Cl90 Ir18 P54 -","18","1","","Andreas Ross; Paul R. Sharp","Triphos Iridium(III) Halide Complex Photochemistry: Triphos Arm Dissociation","Inorganic Chemistry","2013","52","","12645","12654","10.1021/ic401835d","","","0.71073","MoKα","","0.0424","0.033","","","0.0807","0.0857","","","","","","1.158","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336767","20.734","0.004","20.734","0.004","11.374","0.002","90","","90","","120","","4234.6","1.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H61 Cu7 O12 P6 S12 -","- C24 H61 Cu7 O12 P6 S12 -","- C72 H183 Cu21 O36 P18 S36 -","3","0.166667","","Camille Latouche; Samia Kahlal; Yan-Ru Lin; Jian-Hong Liao; Eric Furet; C. W. Liu; Jean-Yves Saillard","Anion Encapsulation and Geometric Changes in Hepta- and Hexanuclear Copper(I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation","Inorganic Chemistry","2013","52","","13253","13262","10.1021/ic402207u","","","0.71073","MoKα","","0.0815","0.0663","","","0.1817","0.1968","","","","","","1.041","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336768","22.467","0.005","22.467","0.005","12.533","0.003","90","","90","","120","","5479","2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H84 Br Cu7 O12 P6 Se12 -","- C36 H84 Br Cu7 O12 P6 Se12 -","- C108 H252 Br3 Cu21 O36 P18 Se36 -","3","0.166667","","Camille Latouche; Samia Kahlal; Yan-Ru Lin; Jian-Hong Liao; Eric Furet; C. W. Liu; Jean-Yves Saillard","Anion Encapsulation and Geometric Changes in Hepta- and Hexanuclear Copper(I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation","Inorganic Chemistry","2013","52","","13253","13262","10.1021/ic402207u","","","0.71073","MoKα","","0.0741","0.0499","","","0.1346","0.1533","","","","","","1.072","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4337370","19.274","0.005","19.274","0.005","31.844","0.008","90","","90","","120","","10245","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H66 N3 P3 S3 -","- C78 H66 N3 P3 S3 -","- C468 H396 N18 P18 S18 -","6","0.333333","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.","Inorganic chemistry","2014","53","3","1370","1381","10.1021/ic402150k","","","0.71073","MoKα","","0.0627","0.0493","","","0.1329","0.142","","","","","","1.078","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337615","15.21","0.007","15.21","0.007","40.38","0.02","90","","90","","120","","8090","7","105","2","105","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C65 H104 Br6 N18 Ni10 O30 -","- C65 H95.94 Br6 N18 Ni10 O30 -","- C195 H287.82 Br18 N54 Ni30 O90 -","3","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert","New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.","Inorganic chemistry","2014","53","6","3194","3203","10.1021/ic500057j","","","0.71073","MoKα","","0.0648","0.0517","","","0.1441","0.1534","","","","","","1.109","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337910","13.5997","0.0002","13.5997","0.0002","32.6601","0.0007","90","","90","","120","","5231.27","0.16","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H42 N P3 Ru -","- C43 H42 N P3 Ru -","- C258 H252 N6 P18 Ru6 -","6","0.333333","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","0.71073","MoKα","","0.0285","0.0234","","","0.0574","0.0606","","","","","","1.065","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337984","20.694","0.015","20.694","0.015","23.638","0.017","90","","90","","120","","8767","11","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H60 Co6 N7 O12 -","- C50.98 H59.97 Co6 N6.99 O12 -","- C305.88 H359.82 Co36 N41.94 O72 -","6","0.333333","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0414","0.0291","","","0.0709","0.0782","","","","","","1.063","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4338037","31.33","0.04","31.33","0.04","21.84","0.03","90","","90","","120","","18565","4","93","","93","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 Cr3 O38.33 P0.33 W4 -","- C18 Cr3 O34.3333 P0.333333 W4 -","- C324 Cr54 O618 P6 W72 -","18","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Concerted Functions of Anions and Cations in a Molecular Ionic Crystal with Stable Three-Dimensional Micropores.","Inorganic chemistry","2014","53","7","3655","","10.1021/ic4031574","","","0.7107","MoKα","","","0.0943","","","","0.2378","","","","","","1.313","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338057","14.6993","0.0009","14.6993","0.0009","19.4361","0.0017","90","","90","","120","","3636.9","0.4","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24 Br3 N7 -","- C18 H24 Br3 N7 -","- C108 H144 Br18 N42 -","6","0.333333","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.0559","0.0497","","","0.1402","0.1426","","","","","","1.068","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338155","20.3816","0.001","20.3816","0.001","18.511","0.0017","90","","90","","120","","6659.4","0.8","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C3 H90 Al7 In6 N15 O96 -","- Al7 H72 In6 N12 O84 -","- Al21 H216 In18 N36 O252 -","3","0.166667","","Kamunde-Devonish, Maisha K; Jackson, Jr, Milton N; Mensinger, Zachary L.; Zakharov, Lev N.; Johnson, Darren W.","Transmetalation of aqueous inorganic clusters: a useful route to the synthesis of heterometallic aluminum and indium hydroxo-aquo clusters.","Inorganic chemistry","2014","53","14","7101","7105","10.1021/ic403121r","","","0.71073","MoKα","","0.0171","0.0163","","","0.0435","0.0439","","","","","","1.107","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338293","24.851","0.0006","24.851","0.0006","60.8811","0.0012","90","","90","","120","","32561.2","1.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- Co16 H168 Na32 O242 P4 Si4 W36 -","- Co16 Na12 O200.75 P4 Si4 W36 -","- Co96 Na72 O1204.5 P24 Si24 W216 -","6","0.333333","","Ibrahim, Masooma; Haider, Ali; Lan, Yanhua; Bassil, Bassem S.; Carey, Akina M.; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Li, Wenhui; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich","Multinuclear Cobalt(II)-Containing Heteropolytungstates: Structure, Magnetism, and Electrochemistry.","Inorganic chemistry","2014","53","10","5179","5188","10.1021/ic500298u","","","0.71073","MoKα","","0.1225","0.0934","","","0.2554","0.286","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338449","12.3104","0.0004","12.3104","0.0004","52.317","0.002","90","","90","","120","","6866.2","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- H39 K4.5 Mn3 Na2.5 O55 Si W9 -","- K3.75 Mn3 Na0.375 O46.5 Si W9 -","- K22.5 Mn18 Na2.25 O279 Si6 W54 -","6","0.333333","","Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich","Synthesis and characterization of multinuclear manganese-containing tungstosilicates.","Inorganic chemistry","2014","53","11","5663","5673","10.1021/ic500425c","","","0.71073","MoKα","","0.0743","0.0501","","","0.1337","0.1599","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338717","13.6473","0.0007","13.6473","0.0007","29.0172","0.0019","90","","90","","120","","4680.4","0.5","103","","103","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H40 N9 O14 Tb -","- C21 H24 N9 O14 Tb -","- C126 H144 N54 O84 Tb6 -","6","0.333333","","Yamauchi, Suguru; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Watanabe, Masayuki; Tsuchimoto, Masanobu; Coletti, Cecilia; Re, Nazzareno","Synthesis, Structure, Luminescence, and Magnetic Properties of a Single-Ion Magnet ""mer""-[Tris(N-[(imidazol-4-yl)-methylidene]-dl-phenylalaninato)terbium(III) and Related ""fac""-dl-Alaninato Derivative.","Inorganic chemistry","2014","53","12","5961","5971","10.1021/ic5001599","","","0.71075","MoKα","","","0.0621","","","","0.172","","","","","","1.002","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338878","12.6863","0.0012","12.6863","0.0012","43.813","0.008","90","","90","","120","","6106.7","1.4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H48 Cl4 Mo3 O12 P6 S4 -","- C18 Cl4 Mo3 O12 P6 S4 -","- C108 Cl24 Mo18 O72 P36 S24 -","6","0.333333","","Algarra, Andrés G; Basallote, Manuel G.; Fernández-Trujillo, M Jesús; Guillamón, Eva; Llusar, Rosa; Segarra, M. Dolores; Vicent, Cristian","Synthesis, crystal structure, aqueous speciation, and kinetics of substitution reactions in a water-soluble Mo3S4 cluster bearing hydroxymethyl diphosphine ligands.","Inorganic chemistry","2007","46","18","7668","7677","10.1021/ic701082p","","","0.71073","MoKα","","0.077","0.0472","","","0.1181","0.13","","","","","","1.072","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4338889","39.6465","0.0013","39.6465","0.0013","17.0551","0.0012","90","","90","","120","","23216","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C62.33 H46.33 Cl N8 O Zn -","- C62.3333 H46.3333 Cl N8 O Zn -","- C1122 H834 Cl18 N144 O18 Zn18 -","18","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Metalloporphyrin-based inclusion materials: exploiting ligating topologies and hydrogen-bonding backbones in generating new supramolecular architectures.","Inorganic chemistry","2007","46","18","7351","7361","10.1021/ic0702163","","","0.71073","MoKα","","0.0787","0.0692","","","0.2063","0.2149","","","","","","0.965","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4339120","33.297","0.005","33.297","0.005","7.1671","0.0014","90","","90","","120","","6882","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20 H38 Br4 N4 O2 U -","- C20 H38 Br4 N4 O2 U -","- C180 H342 Br36 N36 O18 U9 -","9","0.5","","Nockemann, Peter; Servaes, Kelly; Van Deun, Rik; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Görller-Walrand, Christiane","Speciation of uranyl complexes in ionic liquids by optical spectroscopy.","Inorganic chemistry","2007","46","26","11335","11344","10.1021/ic701752j","","","1.54178","CuKα","","0.0449","0.0357","","","0.078","0.0822","","","","","","1.05","","","","has coordinates,has disorder","179494","2020-10-21","18:00:00",""
"4339312","18.674","0.002","18.674","0.002","43.801","0.003","90","","90","","120","","13228","2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","Compoun 12b","","","- C95 H122 N3 O10 P3 -","- C94 H118 N3 O9 P3 -","- C564 H708 N18 O54 P18 -","6","0.333333","","Matloka, Kornelia; Sah, Ajay K.; Peters, Matthew W.; Srinivasan, Priya; Gelis, Artem V.; Regalbuto, Monica; Scott, Michael J.","CMPO-functionalized C3-symmetric tripodal ligands in liquid/liquid extractions: efficient, selective recognition of Pu(IV) with low affinity for 3+ metal ions.","Inorganic chemistry","2007","46","25","10549","10563","10.1021/ic700800a","","","0.71073","MoKα","","0.1028","0.0816","","","0.1879","0.198","","","","","","1.14","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4339628","38.626","0.002","38.626","0.002","13.6978","0.0016","90","","90","","120","","17699","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C21 H49 Cs2 Mo8 N7 O28 S8 -","- C21 H49 Cs2 Mo8 N7 O28 S8 -","- C189 H441 Cs18 Mo72 N63 O252 S72 -","9","0.5","","Lemonnier, Jean-François; Floquet, Sébastien; Marrot, Jérôme; Kachmar, Ali; Bénard, Marc; Rohmer, Marie-Madeleine; Haouas, Mohamed; Taulelle, Francis; Henry, Marc; Cadot, Emmanuel","Changing the oxothiomolybdate ring from an anionic to a cationic receptor.","Inorganic chemistry","2007","46","23","9516","9518","10.1021/ic701432s","","","0.71073","MoKα","","0.1143","0.0874","","","0.2572","0.289","","","","","","1.054","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339825","20.0238","0.0001","20.0238","0.0001","32.8668","0.0003","90","","90","","120","","11412.5","0.13","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- As2 Mn O86.5 Rb8 W20 -","- As2 Mn0.99 O86.49 Rb8.01 W19.98 -","- As12 Mn5.94 O518.94 Rb48.06 W119.88 -","6","0.333333","","Pichon, Céline; Mialane, Pierre; Rivière, Eric; Blain, Guillaume; Dolbecq, Anne; Marrot, Jérôme; Sécheresse, Francis; Duboc, Carole","The highest D value for a Mn(II) ion: investigation of a manganese(II) polyoxometalate complex by high-field electron paramagnetic resonance.","Inorganic chemistry","2007","46","19","7710","7712","10.1021/ic701193f","","","0.71073","MoKα","","0.0986","0.0735","","","0.1768","0.1898","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339846","23.692","0.0017","23.692","0.0017","13.374","0.0015","90","","90","","120","","6501.2","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","Ca-5-aminoisophthalate","","","- C8 H15 Ca N O9 -","- C8 H13 Ca N O9 -","- C144 H234 Ca18 N18 O162 -","18","1","","Murugavel, Ramaswamy; Kumar, Parimal; Walawalkar, Mrinalini G.; Mathialagan, Ramyaa","A double helix is the repeating unit in a luminescent calcium 5-aminoisophthalate supramolecular edifice with water-filled hexagonal channels.","Inorganic chemistry","2007","46","17","6828","6830","10.1021/ic070113k","","","0.71073","MoKα","","0.0814","0.0558","","","0.1752","0.1919","","","","","","1.06","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4339847","23.7031","0.0005","23.7031","0.0005","13.275","0.0003","90","","90","","120","","6459.2","0.2","151","2","151","2","","","","","","","","5","R -3 :H","-R 3","148","CALCIUM-5-AMINOISOPHTHALATE","","","- C8 H15.67 Ca N O9.33 -","- C8 H11 Ca N O9.33333 -","- C144 H198 Ca18 N18 O168 -","18","1","","Murugavel, Ramaswamy; Kumar, Parimal; Walawalkar, Mrinalini G.; Mathialagan, Ramyaa","A double helix is the repeating unit in a luminescent calcium 5-aminoisophthalate supramolecular edifice with water-filled hexagonal channels.","Inorganic chemistry","2007","46","17","6828","6830","10.1021/ic070113k","","","0.71073","MoKα","","0.1118","0.0842","","","0.2605","0.2927","","","","","","1.157","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4340099","20.552","0.0012","20.552","0.0012","23.4904","0.0013","90","","90","","120","","8592.7","0.9","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 N Na2 O9 -","- C15 H15 N Na2 O9 -","- C270 H270 N18 Na36 O162 -","18","1","","Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.","Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.","Inorganic chemistry","2014","53","14","7446","7454","10.1021/ic500789w","","","0.71073","MoKα","","0.0964","0.0909","","","0.2567","0.2621","","","","","","1.068","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340400","33.2625","0.0013","33.2625","0.0013","7.294","0.0006","90","","90","","120","","6988.9","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H13 Ag N2 O4 S -","- C14 H13 Ag N2 O4 S -","- C252 H234 Ag18 N36 O72 S18 -","18","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of neutral ligands on the structures of silver(I) sulfonates.","Inorganic chemistry","2005","44","25","9374","9383","10.1021/ic050984z","","","0.71073","MoKα","","0.0642","0.0426","","","0.1112","0.1204","","","","","","1.021","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340618","17.9603","0.0004","17.9603","0.0004","62.8136","0.0016","90","","90","","120","","17547.3","0.7","120","1","120","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H52 Cl2 Fe N10 O9 -","- C31 H48 Cl2 Fe N10 O9 -","- C558 H864 Cl36 Fe18 N180 O162 -","18","1","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71069","MoKα","","0.0879","0.0623","","","0.1599","0.1803","","","","","","1.015","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340621","18.1143","0.0004","18.1143","0.0004","63.6511","0.0017","90","","90","","120","","18087.5","0.7","250","1","250","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H52 Cl2 Fe N10 O9 -","- C31 H48 Cl2 Fe N10 O9 -","- C558 H864 Cl36 Fe18 N180 O162 -","18","1","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71073","MoKα","","0.1587","0.0938","","","0.2832","0.3495","","","","","","1.107","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340674","14.5991","0.001","14.5991","0.001","46.38","0.004","90","","90","","120","","8560.8","1.1","143","1","143","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H69 N4 Si6 U -","- C37 H69 N4 Si6 U -","- C222 H414 N24 Si36 U6 -","6","0.333333","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0415","0.0278","","","0.0795","0.0923","","","","","","0.635","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340890","21.384","0.003","21.384","0.003","16.938","0.004","90","","90","","120","","6708","2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H104 B2 Fe6 N12 Tl2 -","- C96 H104 B2 Fe6 N12 Tl2 -","- C288 H312 B6 Fe18 N36 Tl6 -","3","0.166667","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0906","0.0484","","","0.0764","0.088","","","","","","0.965","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340903","44.024","0.006","44.024","0.006","9.6649","0.0019","90","","90","","120","","16222","4","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H46 Al B Cl3 P -","- C34 H46 Al B Cl3 P -","- C612 H828 Al18 B18 Cl54 P18 -","18","1","","Uhl, Werner; Appelt, Christian; Wollschläger, Agnes; Hepp, Alexander; Würthwein, Ernst-Ulrich","An Al/P-Based Frustrated Lewis Pair as an Efficient Ambiphilic Ligand: Coordination of Boron Trihalides, Rearrangement, and Formation of HBX2 Complexes (X = Br, I).","Inorganic chemistry","2014","53","17","8991","8999","10.1021/ic5009126","","","0.71073","MoKα","","0.1037","0.048","","","0.0878","0.1002","","","","","","0.893","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340914","31.826","0.004","31.826","0.004","7.5966","0.0011","90","","90","","120","","6663.7","1.5","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H14 Cu N4 O7 S -","- C10 H14 Cu N4 O7 S -","- C180 H252 Cu18 N72 O126 S18 -","18","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.0949","0.059","","","0.1207","0.1362","","","","","","0.997","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340917","31.6276","0.0014","31.6276","0.0014","6.9552","0.0008","90","","90","","120","","6025.2","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H13 Cu N3 O7 -","- C11 H11 Cu N3 O7 -","- C198 H198 Cu18 N54 O126 -","18","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.1122","0.0938","","","0.2128","0.2233","","","","","","1.24","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341033","22.678","0.011","22.678","0.011","27.587","0.013","90","","90","","120","","12287","10","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H60 Au4 Co6 O12 P4 -","- C85 H60 Au4 Co6 O12 P4 -","- C510 H360 Au24 Co36 O72 P24 -","6","0.333333","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Ienco, Andrea; Longoni, Giuliano; Manca, Gabriele; Zacchini, Stefano","Octahedral co-carbide carbonyl clusters decorated by [AuPPh₃]⁺ fragments: synthesis, structural isomerism, and aurophilic interactions of Co₆C(CO)₁₂(AuPPh₃)₄.","Inorganic chemistry","2014","53","18","9761","9770","10.1021/ic501346a","","","0.71073","MoKα","","0.0291","0.0247","","","0.0645","0.0666","","","","","","1.076","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341041","9.2851","0.0011","9.2851","0.0011","38.042","0.008","90","","90","","120","","2840.3","0.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- B20 Be8 Ca6 F2 Li2 Na8 O48 -","- B20 Be8 Ca6 F2 Li2 Na8 O48 -","- B60 Be24 Ca18 F6 Li6 Na24 O144 -","3","0.166667","","Luo, Siyang; Yao, Wenjiao; Gong, Pifu; Yao, Jiyong; Lin, Zheshuai; Chen, Chuangtian","[In Process Citation].","Inorganic chemistry","2014","53","16","8197","8199","10.1021/ic501444t","","","0.71073","MoKα","","0.0511","0.0461","","","0.1471","0.1507","","","","","","1.23","","","","has coordinates","286259","2023-09-07","06:04:47",""
"4341298","21.6944","0.0004","21.6944","0.0004","51.068","0.002","90","","90","","120","","20814.9","1","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C120 H144 Ag13 N72 O190 P4 W48 -","- C120 H84 Ag13 N72 O190 P4 W48 -","- C360 H252 Ag39 N216 O570 P12 W144 -","3","0.166667","","Wang, Lei; Yang, Weiting; Zhu, Wei; Guan, Xingang; Xie, Zhigang; Sun, Zhong-Ming","A nanosized {ag@ag12} ""molecular windmill"" templated by polyoxometalates anions.","Inorganic chemistry","2014","53","21","11584","11588","10.1021/ic501657p","","","0.71073","MoKα","","0.0386","0.0283","","","0.0922","0.1025","","","","","","1.013","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341374","37.6344","0.0014","37.6344","0.0014","14.6022","0.001","90","","90","","120","","17911","1.5","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H50 N4 Ni2 -","- C42 H50 N4 Ni2 -","- C756 H900 N72 Ni36 -","18","1","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","1.54178","CuKα","","0.1004","0.0637","","","0.1364","0.1607","","","","","","1.034","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341504","31.724","0.005","31.724","0.005","12.618","0.005","90","0.005","90","0.005","120","0.005","10998","5","123","2","123","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C21 H13 B I N3 S5 -","- C21 H13 B I N3 S5 -","- C378 H234 B18 I18 N54 S90 -","18","1","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","x-ray","0.71073","MoKα","","0.0484","0.0357","","","0.097","0.1032","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341605","48.4679","0.0005","48.4679","0.0005","44.1057","0.0006","90","","90","","120","","89729.2","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C98 H46 In6 N10 O48 -","- C98 H46 In6 N10 O48 -","- C1764 H828 In108 N180 O864 -","18","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Yuan, Daqiang; Hong, Maochun","Self-Assembly of Polyhedral Indium-Organic Nanocages.","Inorganic chemistry","2014","","","141113093006000","","10.1021/ic501728z","","","1.54184","CuKα","","0.1109","0.0867","","","0.2388","0.2721","","","","","","1.084","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341683","33.517","0.005","33.517","0.005","19.157","0.004","90","","90","","120","","18638","6","140","2","140","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H48 Cl3 N3 O Ru -","- C40 H48 Cl3 N3 O Ru -","- C720 H864 Cl54 N54 O18 Ru18 -","18","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.","Inorganic chemistry","2014","","","141120142422003","","10.1021/ic502274b","","","0.71073","MoKα","","0.1263","0.0966","","","0.269","0.3012","","","","","","1.108","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341885","23.0525","0.0011","23.0525","0.0011","68.656","0.004","90","","90","","120","","31597","3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C378 H444 Cu12 N56 O95 -","- C378 H444 Cu12 N56 O95 -","- C1134 H1332 Cu36 N168 O285 -","3","0.166667","","Mateus, Pedro; Delgado, Rita; André, Vânia; Duarte, M. Teresa","Dicarboxylate Recognition Properties of a Dinuclear Copper(II) Cryptate.","Inorganic chemistry","2015","54","1","229","240","10.1021/ic502230q","","","0.71069","MoKα","","0.1943","0.1024","","","0.2889","0.331","","","","","","0.998","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341956","7.3766","0.001","7.3766","0.001","28.933","0.006","90","","90","","120","","1363.4","0.4","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs O8 Te3 Y -","- Cs O8 Te3 Y -","- Cs6 O48 Te18 Y6 -","6","0.333333","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.051","0.0455","","","0.1086","0.1102","","","","","","1.309","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341970","14.3292","0.0005","14.3292","0.0005","67.288","0.003","90","","90","","120","","11965","0.8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C76 H76 F3 La Mn3 N10 O20 S -","- C75.9997 H75.9993 F3 La Mn3 N9.9999 O19.9999 S -","- C455.998 H455.996 F18 La6 Mn18 N59.9994 O119.999 S6 -","6","0.333333","","Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor","Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.","Inorganic chemistry","2015","54","1","59","64","10.1021/ic5015219","","","0.71073","MoKα","","0.0525","0.042","","","0.1034","0.1145","","","","","","1.118","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4342067","14.2988","0.0004","14.2988","0.0004","20.8543","0.0005","90","","90","","120","","3692.54","0.17","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H54 Mg N12 -","- C38 H54 Mg N12 -","- C114 H162 Mg3 N36 -","3","0.166667","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0668","0.0554","","","0.1694","0.1851","","","","","","1.105","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342249","13.032","0.002","13.032","0.002","30.206","0.005","90","","90","","120","","4442.7","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H42 Cu6 I6 N6 Si2 -","- C56 H41.9994 Cu6 I6 N6 Si2 -","- C168 H125.998 Cu18 I18 N18 Si6 -","3","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.0384","0.024","","","0.0486","0.0528","","","","","","1.012","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342250","13.664","0.004","13.664","0.004","13.849","0.004","90","","90","","120","","2239.3","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H15 N3 Si -","- C16 H14.9997 N3 Si -","- C96 H89.9982 N18 Si6 -","6","0.333333","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.1062","0.0795","","","0.2234","0.2485","","","","","","1.044","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342253","13.076","0.002","13.076","0.002","30.416","0.005","90","","90","","120","","4503.8","1.2","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H42 Cu6 I6 N6 Si2 -","- C56 H41.9994 Cu6 I6 N6 Si2 -","- C168 H125.998 Cu18 I18 N18 Si6 -","3","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.066","0.0357","","","0.0737","0.0857","","","","","","1","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342510","58.49","0.004","58.49","0.004","18.9701","0.0012","90","","90","","120","","56204","6","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C121 H163 Cl K N9 Ni3 O23 -","- C113 H143 Cl K N9 Ni3 O21 -","- C2034 H2574 Cl18 K18 N162 Ni54 O378 -","18","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","0.71073","MoKα","","0.0806","0.061","","","0.1415","0.1507","","","","","","1.038","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342649","24.201","0.003","24.201","0.003","36.77","0.005","90","","90","","120","","18651","4","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C134 H150 Dy4 Fe4 N16 O33 -","- C108 H111 Dy4 Fe4 N3 O33 -","- C648 H666 Dy24 Fe24 N18 O198 -","6","0.333333","","Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K.","Developing a ""Highway Code"" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters.","Inorganic chemistry","2015","54","7","3218","3227","10.1021/ic502809y","","","0.71073","MoKα","","0.0719","0.0431","","","0.0963","0.1051","","","","","","0.888","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342676","51.07","0.0012","51.07","0.0014","29.743","0.0014","90","","90","","120","","67181","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H96 N12 O58 Zn16 -","- C168 H84 N12 O58 Zn16 -","- C1008 H504 N72 O348 Zn96 -","6","0.333333","","Xie, Wei; Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Bao, Shao-Juan; Li, Jing; Su, Zhong-Min; He, Wen-Wen; Fu, Qiang; Lan, Ya-Qian","Stable luminescent metal-organic frameworks as dual-functional materials to encapsulate ln(3+) ions for white-light emission and to detect nitroaromatic explosives.","Inorganic chemistry","2015","54","7","3290","3296","10.1021/ic5029383","","","0.71069","MoKα","","0.1151","0.0617","","","0.1126","0.1183","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342705","19.8205","0.0011","19.8205","0.0011","26.4663","0.0015","90","","90","","120","","9004.4","0.9","183","2","183","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C61 H60 Cl Cu3 N15 O10 -","- C61 H60 Cl Cu3 N15 O10 -","- C366 H360 Cl6 Cu18 N90 O60 -","6","0.333333","","Spielberg, Eike T.; Gilb, Aksana; Plaul, Daniel; Geibig, Daniel; Hornig, David; Schuch, Dirk; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried","A spin-frustrated trinuclear copper complex based on triaminoguanidine with an energetically well-separated degenerate ground state.","Inorganic chemistry","2015","54","7","3432","3438","10.1021/ic503095t","","","0.71073","MoKα","","0.0858","0.058","","","0.1658","0.1822","","","","","","1.263","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4343071","19.372","0.0004","19.372","0.0004","48.1269","0.0014","90","","90","","120","","15641.1","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","n/a","CP3CoN2","","- C37 H54 Co N2 P3 -","- C37 H54 Co N2 P3 -","- C666 H972 Co18 N36 P54 -","18","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.0825","0.0738","","","0.191","0.2046","","","","","","1.088","","","","has coordinates,has disorder","170799","2020-10-21","18:00:00",""
"4343314","28.954","0.001","28.954","0.001","8.8123","0.0004","90","","90","","120","","6397.9","0.4","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H26.67 N4 O2.33 P2 Se2 -","- C22 H26 N4 O2.33 P2 Se2 -","- C198 H234 N36 O20.97 P18 Se18 -","9","0.5","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","MoKα","","0.0925","0.0681","","","0.1967","0.2086","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343322","29.784","0.003","29.784","0.003","76.121","0.012","90","","90","","120","","58479","12","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C5 H235 Fe14 N3 Na32 O352 P8 W60 -","- Fe14 Na8.35 O277 P8 W60 -","- Fe84 Na50.1 O1662 P48 W360 -","6","0.333333","","Ibrahim, Masooma; Haider, Ali; Xiang, Yixian; Bassil, Bassem S.; Carey, Akina M.; Rullik, Lisa; Jameson, Geoffrey B.; Doungmene, Floriant; Mbomekallé, Israël M; Oliveira, Pedro de; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich","Tetradecanuclear Iron(III)-Oxo Nanoclusters Stabilized by Trilacunary Heteropolyanions.","Inorganic chemistry","2015","54","13","6136","6146","10.1021/acs.inorgchem.5b00124","","","0.71073","MoKα","","0.1421","0.0832","","","0.2123","0.2778","","","","","","1.002","","","","has coordinates","141321","2020-10-21","18:00:00",""
"4343436","30.0993","0.0011","30.0993","0.0011","20.4326","0.0011","90","","90","","120","","16031.2","1.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C76 H92 Lu2 N6 O4 -","- C76 H92 Lu2 N6 O4 -","- C684 H828 Lu18 N54 O36 -","9","0.5","","Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.","Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand.","Inorganic chemistry","2015","54","14","6938","6946","10.1021/acs.inorgchem.5b00927","","","0.71073","MoKα","","0.0647","0.0413","","","0.113","0.1348","","","","","","1.133","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4343439","26.976","0.003","26.976","0.003","16.5285","0.0016","90","","90","","120","","10416.4","1.9","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","[Cu6(L)(BO3)(DMF)3]2[ClO4]6*6(DMF) (2)","","","- C54 H78 B Cl3 Cu6 N12 O27 -","- C54 H78 B Cl3 Cu6 N12 O27 -","- C324 H468 B6 Cl18 Cu36 N72 O162 -","6","0.333333","","Tandon, Santokh S.; Bunge, Scott D.; Toth, Sara A.; Sanchiz, Joaquin; Thompson, Laurence K.; Shelley, Jacob T.","Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.","Inorganic chemistry","2015","54","14","6873","6884","10.1021/acs.inorgchem.5b00771","","","0.71073","MoKα","","0.1083","0.0607","","","0.168","0.2012","","","","","","1.238","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4343476","45.269","0.006","45.269","0.006","6.9415","0.0014","90","","90","","120","","12319","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H132 Cl6 Cu6 N18 O48 -","- C120 H132 Cl6 Cu6 N18 O48 -","- C360 H396 Cl18 Cu18 N54 O144 -","3","0.166667","","Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy","Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.","Inorganic chemistry","2015","54","14","6680","6686","10.1021/ic502552y","","","0.71073","MoKα","","0.0591","0.0522","","","0.1471","0.1518","","","","","","1.052","","","","has coordinates","152819","2020-10-21","18:00:00",""
"4343527","49.969","0.009","49.969","0.009","11.895","0.003","90","","90","","120","","25722","9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H80 Eu O4 Si8 -","- C32 H80 Eu O4 Si8 -","- C576 H1440 Eu18 O72 Si144 -","18","1","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.0942","0.0678","","","0.1571","0.1701","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343682","21.128","","21.128","","7.769","","90","","90","","120","","3003.4","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Zn (H2 (P O3))2 (H2 O)3","","- H2 O6 P2 Zn -","- H2 O6 P2 Zn -","- H36 O108 P36 Zn18 -","18","1","","Ortiz-Avila, C.Y.; Squattrito, P.J.; Shieh, M.; Clearfield, A.","Synthesis and chracterization of a new series of zinc phosphites","Inorganic Chemistry","1989","28","","2608","2615","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343711","8.7905","","8.7905","","34.981","","90","","90","","120","","2340.94","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr6 V9 S22 O2","","- O2 S22 Sr6 V9 -","- O2 S22 Sr6 V9 -","- O6 S66 Sr18 V27 -","3","0.166667","","Gourdon, O.; Evain, M.; Brec, R.; Jobic, S.; Koo, H.-J.; Whangbo Myunghwan; Corraze, B.; Chauvet, O.","On the origin of the sqrt(7) X sqrt(7) superstructure and the anomalous magnetic and transport properties of the layered compound Sr6 V9 S22 O2","Inorganic Chemistry","2001","40","","2898","2904","","","","","","","","","","","","","","","","","","","","","","has coordinates","147262","2020-10-21","18:00:00",""
"4343780","9.499","","9.499","","25.88","","90","","90","","120","","2022.32","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Zr6 Cl12) (K2 Zr Cl6)","","- Cl18 K2 Zr7 -","- Cl18 K2 Zr7 -","- Cl54 K6 Zr21 -","3","0.166667","","Imoto, H.; Corbett, J.D.; Cisar, A.","Synthesis by hydrogen-driven disproportionation reactions. Synthesis and structure of the hexazirconium dodecahalide clusters Zr6 Cl12 and Zr6 Br12 and the double salt Zr6 Cl12 M2 Zr Cl6 (M= Na, K, Cs)","Inorganic Chemistry","1981","20","","145","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","149202","2020-10-21","18:00:00",""
"4343981","24.9994","0.0005","24.9994","0.0005","17.3225","0.0004","90","","90","","120","","9375.6","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H50.16 Cl2 N6 O14.58 V2 -","- C32 H30 Cl2 N6 O14.586 V2 -","- C288 H270 Cl18 N54 O131.274 V18 -","9","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.1286","0.0641","","","0.1731","0.1935","","","","","","0.928","","","","has coordinates,has disorder","152797","2020-10-21","18:00:00",""
"4343983","24.9734","0.0004","24.9734","0.0004","17.3106","0.0005","90","","90","","120","","9349.7","0.3","89","2","89","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H45.62 Cl2 N6 O12.31 V2 -","- C32 H30 Cl2 N6 O12.314 V2 -","- C288 H270 Cl18 N54 O110.826 V18 -","9","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.0805","0.0542","","","0.1565","0.1697","","","","","","0.999","","","","has coordinates,has disorder","152797","2020-10-21","18:00:00",""
"4343988","24.974","0.0011","24.974","0.0014","17.5048","0.0006","90","0.004","90","0.003","120","0.005","9455.1","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H45.9 Cl2 N6 O12.45 V2 -","- C32 H30 Cl2 N6 O12.456 V2 -","- C288 H270 Cl18 N54 O112.104 V18 -","9","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.0601","0.0521","","","0.1489","0.1563","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344116","16.165","","16.165","","11.162","","90","","90","","120","","2525.95","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na La6 Os I12","","- I12 La6 Na Os -","- I12 La6 Na Os -","- I36 La18 Na3 Os3 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Cation substitutional chemistry in the (R7 X12 Z)-type structure for four lanthanum iodide examples","Inorganic Chemistry","2002","41","","6199","6205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344117","16.098","","16.098","","11.157","","90","","90","","120","","2503.93","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Ca0.906 La0.094) La6 Os I12","","- Ca0.906 I12 La6.094 Os -","- Ca0.906 I12 La6.094 Os -","- Ca2.718 I36 La18.282 Os3 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Cation substitutional chemistry in the (R7 X12 Z)-type structure for four lanthanum iodide examples","Inorganic Chemistry","2002","41","","6199","6205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344118","16.118","","16.118","","11.075","","90","","90","","120","","2491.71","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Ca0.621 La0.379) La6 Os I12","","- Ca0.621 I12 La6.379 Os -","- Ca0.621 I12 La6.379 Os -","- Ca1.863 I36 La19.137 Os3 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Cation substitutional chemistry in the (R7 X12 Z)-type structure for four lanthanum iodide examples","Inorganic Chemistry","2002","41","","6199","6205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344119","16.083","","16.083","","11.366","","90","","90","","120","","2546.08","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr La6 Os I12","","- I12 La6 Os Sr -","- I12 La6 Os Sr -","- I36 La18 Os3 Sr3 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Cation substitutional chemistry in the (R7 X12 Z)-type structure for four lanthanum iodide examples","Inorganic Chemistry","2002","41","","6199","6205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344120","16.106","","16.106","","11.145","","90","","90","","120","","2503.72","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Sr0.526 La0.474) La6 Os I12","","- I12 La6.474 Os Sr0.526 -","- I12 La6.474 Os Sr0.526 -","- I36 La19.422 Os3 Sr1.578 -","3","0.166667","","Jensen, E.A.; Corbett, J.D.","Cation substitutional chemistry in the (R7 X12 Z)-type structure for four lanthanum iodide examples","Inorganic Chemistry","2002","41","","6199","6205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344139","4.9751","","4.9751","","22.5983","","90","","90","","120","","484.407","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Sn (H P O4)2) (N H3)0.4 (H2 O)0.6","","- H4.4 N0.4 O8.6 P2 Sn -","- N0.4 O8.6 P2 Sn -","- N1.2 O25.8 P6 Sn3 -","3","0.166667","","Roces, L.; Khainakov, S.A.; Garcia-Granda, S.; Pertierra, P.; Garcia, J.R.; Salvado, M.A.","Hydrothermal synthesis and X-ray powder structure determination of a novel layered tin(IV) phosphate, Sn (H P O4)2 * (N H3)0.4 (H2 O)0.6","Inorganic Chemistry Communications","2002","5","","685","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344282","9.595","","9.595","","26.926","","90","","90","","120","","2146.8","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(K0.85 Ba0.13)2 Ba Zr6 Cl18 C","","- C Ba1.26 Cl18 K1.7 Zr6 -","- C Ba1.26 Cl18 K1.7 Zr6 -","- C3 Ba3.78 Cl54 K5.1 Zr18 -","3","0.166667","","Zhang, J.; Corbett, J.D.","Two families of centered zirconium cluster phases with M1,2 M' Cl6 * Zr6 Cl12 Z compositions","Inorganic Chemistry","1993","32","","1556","1572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344603","36.3946","0.0005","36.3946","0.0005","10.0644","0.0002","90","","90","","120","","11545","0.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H28 Mo N2 O S4 -","- C22 H28 Mo N2 O S4 -","- C396 H504 Mo18 N36 O18 S72 -","18","1","","Yang, Jing; Mogesa, Benjamin; Basu, Partha; Kirk, Martin L.","Large Ligand Folding Distortion in an Oxomolybdenum Donor-Acceptor Complex.","Inorganic chemistry","2016","55","2","785","793","10.1021/acs.inorgchem.5b02252","","","0.71073","MoKα","","0.12","0.0824","","","0.1919","0.2332","","","","","","1.425","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4344625","22.8161","0.001","22.8161","0.001","14.7211","0.0008","90","","90","","120","","6636.7","0.5","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H69 N3 O6 -","- C48 H69 N3 O6 -","- C288 H414 N18 O36 -","6","0.333333","","Kim, Jee Eon; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rare Earth Metal Complexes of Bidentate Nitroxide Ligands: Synthesis and Electrochemistry.","Inorganic chemistry","2016","55","2","775","784","10.1021/acs.inorgchem.5b02236","","","0.71073","MoKα","","0.0621","0.0426","","","0.0956","0.1055","","","","","","1.012","","","","has coordinates","175532","2020-10-21","18:00:00",""
"4344769","21.9891","0.0007","21.9891","0.0007","9.4696","0.0009","90","","90","","120","","3965.3","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 F6 O4 Sr -","- C4 F6 O4 Sr -","- C72 F108 O72 Sr18 -","18","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.0531","0.0286","","","0.0513","0.0554","","","","","","1.02","","","","has coordinates","175628","2020-10-21","18:00:00",""
"4344770","21.2541","0.0018","21.2541","0.0018","10.4984","0.001","90","","90","","120","","4107.1","0.6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 Ba F6 O4 -","- C4 Ba F6 O4 -","- C72 Ba18 F108 O72 -","18","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.0385","0.0231","","","0.0445","0.051","","","","","","1.097","","","","has coordinates","175629","2020-10-21","18:00:00",""
"4345065","37.39","0.006","37.39","0.006","25.583","0.004","90","","90","","120","","30974","9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C198 H474 Dy6 Fe18 N42 O132 -","- C198 H414 Dy6 Fe18 N42 O132 -","- C594 H1242 Dy18 Fe54 N126 O396 -","3","0.166667","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.0937","0.0613","","","0.1609","0.1859","","","","","","1.057","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345066","37.438","0.006","37.438","0.006","25.744","0.004","90","","90","","120","","31249","9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C212 H503 Fe18 N45 O134 Sm6 -","- C212 H454.999 Fe18 N45 O134 Sm6 -","- C635.999 H1365 Fe54 N135 O401.999 Sm18 -","3","0.166667","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch; Kögerler, Paul; Baca, Svetlana G.","Ultralarge 3d/4f Coordination Wheels: From Carboxylate/Amino Alcohol-Supported {Fe4Ln2} to {Fe18Ln6} Rings.","Inorganic chemistry","2017","56","4","1814","1822","10.1021/acs.inorgchem.6b02100","","","0.71073","MoKα","","0.1016","0.0533","","","0.143","0.1966","","","","","","1.096","","","","has coordinates,has disorder","193431","2020-10-21","18:00:00",""
"4345379","7.1295","0.0014","7.1295","0.0014","22.1","0.005","90","","90","","120","","972.8","0.3","103","2","103","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- I6 Si2 -","- I6 Si2 -","- I18 Si6 -","3","0.166667","","Shan, Yu-Liang; Leong, Bi-Xiang; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Donor-Acceptor Stabilized Tetra(silanimine).","Inorganic chemistry","2017","56","3","1609","1615","10.1021/acs.inorgchem.6b02727","","","0.71073","MoKα","","0.0475","0.0324","","","0.0731","0.0796","","","","","","1.054","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4345569","32.2022","0.0011","32.2022","0.0011","14.1798","0.0005","90","","90","","120","","12734.2","0.8","100","1","100","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C28 H34 Cl N4 O3.11 Re -","- C28 H34 Cl N4 O3.1111 Re -","- C504 H612 Cl18 N72 O55.9998 Re18 -","18","1","","Ching, H. Y. Vincent; Wang, Xia; He, Menglan; Perujo Holland, Noemi; Guillot, Régis; Slim, Cyrine; Griveau, Sophie; Bertrand, Hélène C; Policar, Clotilde; Bedioui, Fethi; Fontecave, Marc","Rhenium Complexes Based on 2-Pyridyl-1,2,3-triazole Ligands: A New Class of CO2 Reduction Catalysts.","Inorganic chemistry","2017","56","5","2966","2976","10.1021/acs.inorgchem.6b03078","","","0.71073","MoKα","","0.0377","0.0263","","","0.0533","0.057","","","","","","1.027","","","","has coordinates,has disorder","194699","2020-10-21","18:00:00",""
"4345692","13.4251","0.0006","13.4251","0.0006","48.583","0.002","90","","90","","120","","7583.2","0.6","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C58 H38 Cl F12 O P3 Pd Sn -","- C54 H30 Cl F12 P3 Pd Sn -","- C324 H180 Cl6 F72 P18 Pd6 Sn6 -","6","0.333333","","Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.","Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00410","","","0.71073","MoKα","","0.0326","0.0253","","","0.069","0.0722","","","","","","1.082","","","","has coordinates","195422","2020-10-21","18:00:00",""
"4345751","12.0896","0.0007","12.0896","0.0007","81.755","0.007","90","","90","","120","","10348.3","1.2","223","2","223","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C39 H59 B2 Cu6 N27 S6 W2 -","- C39 H59 B2 Cu6 N27 S6 W2 -","- C234 H354 B12 Cu36 N162 S36 W12 -","6","0.333333","","Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping","Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands.","Inorganic chemistry","2017","56","10","5669","5679","10.1021/acs.inorgchem.7b00261","","","0.71073","MoKα","","0.1455","0.0991","","","0.2286","0.2526","","","","","","1.117","","","","has coordinates","197396","2020-10-21","18:00:00",""
"4345769","37.293","0.005","37.293","0.005","24.475","0.005","90","0.005","90","0.005","120","0.005","29479","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H42 Mn4 N10 O26 Tb2 -","- C50 H42 Mn4 N10 O26 Tb2 -","- C450 H378 Mn36 N90 O234 Tb18 -","9","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.1285","0.0936","","","0.2403","0.2853","","","","","","1.003","","","","has coordinates","197398","2020-10-21","18:00:00",""
"4345770","37.2321","0.0012","37.2321","0.0012","24.4488","0.0009","90","","90","","120","","29351","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H42 Gd2 Mn4 N12 O32 -","- C50 H42 Gd2 Mn4 N12 O32 -","- C450 H378 Gd18 Mn36 N108 O288 -","9","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0791","0.0694","","","0.1791","0.1927","","","","","","0.99","","","","has coordinates,has disorder","197398","2020-10-21","18:00:00",""
"4345792","34.074","0.005","34.074","0.005","7.4287","0.0016","90","","90","","120","","7469","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H34 As2 Cl4 Pd2 -","- C32 H34 As2 Cl4 Pd2 -","- C288 H306 As18 Cl36 Pd18 -","9","0.5","","Gupta, Arvind Kumar; Akkarasamiyo, Sunisa; Orthaber, Andreas","Rich Coordination Chemistry of π-Acceptor Dibenzoarsole Ligands.","Inorganic chemistry","2017","56","8","4505","4512","10.1021/acs.inorgchem.7b00100","","","0.71073","MoKα","","0.151","0.0792","","","0.1833","0.2609","","","","","","1.082","","","","has coordinates","195971","2020-10-21","18:00:00",""
"4345874","10.9287","0.0005","10.9287","0.0005","27.4503","0.0014","90","","90","","120","","2839.3","0.2","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C49 H42 P2 -","- C49 H42 P2 -","- C147 H126 P6 -","3","0.166667","","Quinlivan, Patrick J.; Parkin, Gerard","Flexibility of the Carbodiphosphorane, (Ph3P)2C: Structural Characterization of a Linear Form.","Inorganic chemistry","2017","56","10","5493","5497","10.1021/acs.inorgchem.7b00381","","","0.71073","MoKα","","0.0462","0.0383","","","0.1155","0.1213","","","","","","1.613","","","","has coordinates","197221","2020-10-21","18:00:00",""
"4345881","37.581","0.005","37.581","0.005","24.268","0.005","90","0.005","90","0.005","120","0.005","29683","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H44 Dy2 Mn4 N10 O26 -","- C50 H44 Dy2 Mn4 N10 O26 -","- C450 H396 Dy18 Mn36 N90 O234 -","9","0.5","","Savva, Maria; Skordi, Katerina; Fournet, Adeline D.; Thuijs, Annaliese E.; Christou, George; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","Heterometallic Mn(III)4Ln2 (Ln = Dy, Gd, Tb) Cross-Shaped Clusters and Their Homometallic Mn(III)4Mn(II)2 Analogues.","Inorganic chemistry","2017","56","10","5657","5668","10.1021/acs.inorgchem.7b00191","","","0.71073","MoKα","","0.0571","0.0458","","","0.1395","0.1468","","","","","","1.101","","","","has coordinates","197228","2020-10-21","18:00:00",""
"4346052","20.1387","0.0014","20.1387","0.0014","18.49","0.003","90","","90","","120","","6494.3","1.2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H96 Ga11.8 In1.2 N15 O99 -","- Ga11.86 In1.14 N12 O84 -","- Ga35.58 In3.42 N36 O252 -","3","0.166667","","Kamunde-Devonish, Maisha K; Fast, Dylan B.; Mensinger, Zachary L.; Gatlin, Jason T.; Zakharov, Lev N.; Dolgos, Michelle R.; Johnson, Darren W.","Synthesis and solid-state structural characterization of a series of aqueous heterometallic tridecameric group 13 clusters.","Inorganic chemistry","2015","54","8","3913","3920","10.1021/acs.inorgchem.5b00097","","","0.71073","MoKα","","0.0391","0.0328","","","0.0886","0.0916","","","","","","1.055","","","","has coordinates","231600","2020-10-21","18:00:00",""
"4346053","20.2946","0.0012","20.2946","0.0012","18.456","0.002","90","","90","","120","","6583.1","0.9","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H96 Ga10.27 In2.73 N15 O99 -","- Ga10.384 In2.616 N12 O84 -","- Ga31.152 In7.848 N36 O252 -","3","0.166667","","Kamunde-Devonish, Maisha K; Fast, Dylan B.; Mensinger, Zachary L.; Gatlin, Jason T.; Zakharov, Lev N.; Dolgos, Michelle R.; Johnson, Darren W.","Synthesis and solid-state structural characterization of a series of aqueous heterometallic tridecameric group 13 clusters.","Inorganic chemistry","2015","54","8","3913","3920","10.1021/acs.inorgchem.5b00097","","","0.71073","MoKα","","0.0282","0.0257","","","0.0719","0.0732","","","","","","1.065","","","","has coordinates","231601","2020-10-21","18:00:00",""
"4346135","33.0628","0.0007","33.0628","0.0007","4.877","0.0003","90","","90","","120","","4617","0.3","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C252 H171 N27 -","9","0.5","","Maligaspe, Eranda; Pundsack, Tom J.; Albert, Lauren M.; Zatsikha, Yuriy V.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.","Synthesis and charge-transfer dynamics in a ferrocene-containing organoboryl aza-BODIPY donor-acceptor triad with boron as the hub.","Inorganic chemistry","2015","54","8","4167","4174","10.1021/acs.inorgchem.5b00494","","","1.54187","CuKα","","0.0535","0.0474","","","0.111","0.1141","","","","","","1.153","","","","has coordinates","231627","2020-10-21","18:00:00",""
"4346348","14.6595","0.0016","14.6595","0.0016","31.363","0.005","90","","90","","120","","5837","1.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Co2 I11 K0.89 N12 -","- C60 H48 Ag6 Co2 I11 K0.89 N12 -","- C180 H144 Ag18 Co6 I33 K2.67 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0314","0.0272","","","0.0653","0.0671","","","","","","1.055","","","","has coordinates","231735","2020-10-21","18:00:00",""
"4346349","14.6293","0.0018","14.6293","0.0018","31.621","0.004","90","","90","","120","","5860.8","1.3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 I11 K N12 Zn2 -","- C60 H48 Ag6 I11 K N12 Zn2 -","- C180 H144 Ag18 I33 K3 N36 Zn6 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0324","0.0295","","","0.0704","0.0718","","","","","","1.075","","","","has coordinates","231736","2020-10-21","18:00:00",""
"4346351","14.7159","0.0008","14.7159","0.0008","31.5185","0.0017","90","","90","","120","","5911.1","0.6","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 I11 K Mn2 N12 -","- C60 H48 Ag6 I11 K Mn2 N12 -","- C180 H144 Ag18 I33 K3 Mn6 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0403","0.0275","","","0.0556","0.0606","","","","","","1.016","","","","has coordinates","231738","2020-10-21","18:00:00",""
"4346352","14.6145","0.001","14.6145","0.001","31.442","0.002","90","","90","","120","","5815.8","0.7","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 I11 K0.93 N12 Ni2 -","- C60 H48 Ag6 I11 K0.932 N12 Ni2 -","- C180 H144 Ag18 I33 K2.796 N36 Ni6 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0287","0.0255","","","0.049","0.0503","","","","","","1.04","","","","has coordinates","231739","2020-10-21","18:00:00",""
"4346353","14.5723","0.0013","14.5723","0.0013","31.178","0.003","90","","90","","120","","5733.7","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Fe2 I11 K0.93 N12 -","- C60 H48 Ag6 Fe2 I11 K0.932 N12 -","- C180 H144 Ag18 Fe6 I33 K2.796 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0308","0.0266","","","0.0485","0.05","","","","","","1.033","","","","has coordinates","231740","2020-10-21","18:00:00",""
"4346658","12.592","0.002","12.592","0.002","28.454","0.004","90","","90","","120","","3907.2","1","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","","","","- H48 I8.5 O36 Ti8 -","- H48 I8.5 O36 Ti8 -","- H144 I25.5 O108 Ti24 -","3","0.166667","","Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng","Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.","Inorganic chemistry","2016","55","10","4704","4709","10.1021/acs.inorgchem.5b01901","","","0.71073","MoKα","","0.0522","0.0427","","","0.0994","0.1035","","","","","","1.125","","","","has coordinates","231909","2020-10-21","18:00:00",""
"4346952","14.2287","0.0011","14.2287","0.0011","34.0196","0.0013","90","","90","","120","","5964.7","0.7","100","2","100","2","","","","","","","acetonitrile, diethylether","6","R -3 :H","-R 3","148","","","","- C43 H34.5 B Co F4 N9.5 -","- C43 H34.5003 B Co F4 N9.5 -","- C258 H207.002 B6 Co6 F24 N57 -","6","0.333333","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0406","0.0364","","","0.0971","0.1002","","","","","","1.083","","","","has coordinates","232080","2020-10-21","18:00:00",""
"4347132","18.4883","0.0003","18.4883","0.0003","46.7635","0.0015","90","","90","","120","","13843","0.5","285","2","285","2","","","","","","","","11","R -3 :H","-R 3","148","","","","- C133.5 H133 B4 Cl4 Cu12 F6 N24 O0 P7 S24 W4 -","- C133.5 H133 B4 Cl4 Cu12 F6 N24 P7 S24 W4 -","- C400.5 H399 B12 Cl12 Cu36 F18 N72 P21 S72 W12 -","3","0.166667","","Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping","Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.","Inorganic chemistry","2016","55","4","1861","1871","10.1021/acs.inorgchem.5b02765","","","0.71073","MoKα","","0.0673","0.0475","","","0.144","0.1656","","","","","","1.134","","","","has coordinates","232179","2020-10-21","18:00:00",""
"4347161","36.9399","0.0005","36.9399","0.0005","13.2662","0.0004","90","","90","","120","","15677.2","0.6","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H56 Cl4 N8 Nb4 S4 -","- C36 H56 Cl4 N8 Nb4 S4 -","- C324 H504 Cl36 N72 Nb36 S36 -","9","0.5","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1122","0.0586","","","0.1417","0.1718","","","","","","1.039","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347163","46.828","0.008","46.828","0.008","19.36","0.004","90","","90","","120","","36766","12","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H56 Cl4 N8 Nb4 S4 -","- C52 H56 Cl4 N8 Nb4 S4 -","- C936 H1008 Cl72 N144 Nb72 S72 -","18","1","","Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.","Inorganic chemistry","2016","55","8","3815","3821","10.1021/acs.inorgchem.5b02816","","x-ray","0.71073","MoKα","","0.1877","0.0841","","","0.2226","0.2855","","","","","","0.999","","","","has coordinates","232195","2020-10-21","18:00:00",""
"4347374","27.7371","0.0017","27.7371","0.0017","9.6225","0.0012","90","","90","","120","","6411.2","1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H16 N10 Ni -","- C24 H16 N10 Ni -","- C216 H144 N90 Ni9 -","9","0.5","","Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu","Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.","Inorganic chemistry","2016","55","9","4330","4334","10.1021/acs.inorgchem.6b00081","","","0.71073","MoKα","","0.1342","0.0475","","","0.0823","0.0926","","","","","","1.038","","","","has coordinates","232293","2020-10-21","18:00:00",""
"4347456","39.356","0.006","39.356","0.006","15.783","0.003","90","","90","","120","","21171","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H55 Mn3 N8 O17 -","- C35 H33 Mn3 N6 O12 -","- C630 H594 Mn54 N108 O216 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.2071","0.1043","","","0.3003","0.3516","","","","","","1","","","","has coordinates","232325","2020-10-21","18:00:00",""
"4347457","39.51","0.006","39.51","0.006","15.795","0.003","90","","90","","120","","21353","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H54 Mn3 N7 O15 -","- C36 H34 Mn3 N5 O11 -","- C648 H612 Mn54 N90 O198 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.2039","0.095","","","0.2647","0.3214","","","","","","1.033","","","","has coordinates","232326","2020-10-21","18:00:00",""
"4347458","39.196","0.006","39.196","0.006","15.796","0.003","90","","90","","120","","21017","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H53 Mn3 N8 O15 -","- C35 H33 Mn3 N6 O11 -","- C630 H594 Mn54 N108 O198 -","18","1","","Jiang, Xiang; Liu, Cai-Ming; Kou, Hui-Zhong","Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.","Inorganic chemistry","2016","55","12","5880","5885","10.1021/acs.inorgchem.6b00179","","","0.71073","MoKα","","0.1318","0.0821","","","0.2568","0.2993","","","","","","1.072","","","","has coordinates","232327","2020-10-21","18:00:00",""
"4347526","31.473","0.005","31.473","0.005","62.316","0.013","90","","90","","120","","53457","16","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C150 H141 B6 Co6 N18 O40 Zn4 -","- C150 H141 B6 Co6 N18 O40 Zn4 -","- C900 H846 B36 Co36 N108 O240 Zn24 -","6","0.333333","","Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands.","Inorganic chemistry","2016","55","8","4006","4015","10.1021/acs.inorgchem.6b00276","","","0.69561","synchrotron","","0.1506","0.1386","","","0.4374","0.4473","","","","","","1.935","","","","has coordinates,has disorder","232367","2020-10-21","18:00:00",""
"4347562","15.2366","0.001","15.2366","0.001","16.4081","0.0011","90","","90","","120","","3298.9","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24 Ge Si4 -","- C18 H24 Ge Si4 -","- C108 H144 Ge6 Si24 -","6","0.333333","","Stueger, Harald; Christopoulos, Viktor; Temmel, Andrea; Haas, Michael; Fischer, Roland; Torvisco, Ana; Wunnicke, Odo; Traut, Stephan; Martens, Susanne","Selective Synthesis and Derivatization of Germasilicon Hydrides.","Inorganic chemistry","2016","55","8","4034","4038","10.1021/acs.inorgchem.6b00349","","","0.71073","MoKα","","0.0357","0.0265","","","0.0592","0.0633","","","","","","1.002","","","","has coordinates","232382","2020-10-21","18:00:00",""
"4348122","21.6424","0.0007","21.6424","0.0007","19.4859","0.0013","90","","90","","120","","7904.3","0.6","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H36 B Cl N6 S6 -","- C60 H36 B Cl N6 S6 -","- C360 H216 B6 Cl6 N36 S36 -","6","0.333333","","Rhoda, Hannah M.; Kayser, Mathew P.; Wang, Yefeng; Nazarenko, Alexander Y.; Belosludov, Rodion V.; Kiprof, Paul; Blank, David A.; Nemykin, Victor N.","Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C<sub>60</sub> and C<sub>70</sub> Fullerenes: Experimental and Theoretical Studies.","Inorganic chemistry","2016","55","19","9549","9563","10.1021/acs.inorgchem.6b00992","","","1.5418","CuKα","","0.1218","0.0695","","0.169","0.1207","0.169","","","","","","0.9016","","","","has coordinates","232770","2020-10-21","18:00:00",""
"4348306","23.8874","0.0012","23.8874","0.0012","36.086","0.004","90","","90","","120","","17832","2","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","Bis complex of Iron(II) tris((BEDT-TTF)methylthio-4-2,2'-bipyridine PF6 salt.","","- C63 H48 F12 Fe N6 P2 S27 -","- C63 H48 Fe N6 S27 -","- C378 H288 Fe6 N36 S162 -","6","0.333333","","Wang, Qiang; Martin, Lee; Blake, Alexander J.; Day, Peter; Akutsu, Hiroki; Wallis, John D.","Coordination Chemistry of 2,2'-Bipyridyl- and 2,2':6',2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2'-Bipyridine-4-thiomethyl-BEDT-TTF.","Inorganic chemistry","2016","55","17","8543","8551","10.1021/acs.inorgchem.6b01101","","","0.71073","MoKα","","0.0846","0.0538","","","0.137","0.149","","","","","","0.85","","","","has coordinates,has disorder","232869","2020-10-21","18:00:00",""
"4348393","16.7246","0.0007","16.7246","0.0007","59.874","0.005","90","","90","","120","","14503.8","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H18 N4 Ni O6 -","- C28 H18 N4 Ni O6 -","- C504 H324 N72 Ni18 O108 -","18","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0868","0.0637","","","0.1918","0.2021","","","","","","1.095","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348397","21.0268","0.0003","21.0268","0.0003","26.4214","0.0006","90","","90","","120","","10116.6","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg O22 U2 -","- C18 H42 Mg O22 U2 -","- C216 H504 Mg12 O264 U24 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.0245","0.0184","","","0.0325","0.0336","","","","","","1.036","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348398","21.0085","0.0004","21.0085","","26.4223","0.0005","90","","90","","120","","10099.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg Np2 O22 -","- C18 H42 Mg Np2 O22 -","- C216 H504 Mg12 Np24 O264 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.0418","0.0285","","","0.0474","0.051","","","","","","1.02","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348399","21.0029","0.0002","21.0029","0.0002","26.432","0.0005","90","","90","","120","","10097.6","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H42 Mg O22 Pu2 -","- C18 H42 Mg O22 Pu2 -","- C216 H504 Mg12 O264 Pu24 -","12","0.666667","","Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.","Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).","Inorganic chemistry","2016","55","15","7688","7693","10.1021/acs.inorgchem.6b01154","","","0.71073","MoKα","","0.025","0.0198","","","0.0375","0.0391","","","","","","1.017","","","","has coordinates","232898","2020-10-21","18:00:00",""
"4348482","18.586","0.005","18.586","0.005","38.461","0.005","90","","90","","120","","11506","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H8 Cu2 N O10 -","- C22 H8 Cu2 N O10 -","- C198 H72 Cu18 N9 O90 -","9","0.5","","De, Dinesh; Pal, Tapan K.; Bharadwaj, Parimal K.","A Porous Cu(II)-MOF with Proline Embellished Cavity: Cooperative Catalysis for the Baylis-Hillman Reaction.","Inorganic chemistry","2016","55","14","6842","6844","10.1021/acs.inorgchem.6b01211","","","0.71069","MoKα","","0.0749","0.0541","","","0.1415","0.1488","","","","","","1.1","","","","has coordinates","232987","2020-10-21","18:00:00",""
"4348523","26.57","0.004","26.57","0.004","23.545","0.007","90","","90","","120","","14395","5","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","None","","","- C540 H738 Au18 F54 O12 P36 Sb18 -","- C540 H738 Au18 F54 O12 P36 Sb18 -","- C540 H738 Au18 F54 O12 P36 Sb18 -","1","0.0555556","","Sen, Srobona; Ke, Iou-Sheng; Gabbaï, François P","Anion-Controlled Positional Switching of a Phenyl Group about the Dinuclear Core of a AuSb Complex.","Inorganic chemistry","2016","55","18","9162","9172","10.1021/acs.inorgchem.6b01290","","","0.71073","MoKα","","0.0475","0.0322","","","0.0733","0.0835","","","","","","1.053","","","","has coordinates","233048","2020-10-21","18:00:00",""
"4348599","18.44496","0.0002","18.44496","0.0002","31.7624","0.0003","90","","90","","120","","9358.35","0.17","85","2","85","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H39 Fe4 N3 O18 -","- C45 H39 Fe4 N3 O18 -","- C270 H234 Fe24 N18 O108 -","6","0.333333","","Chow, Chun Y.; Guillot, Régis; Rivière, Eric; Kampf, Jeff W.; Mallah, Talal; Pecoraro, Vincent L.","Synthesis and Magnetic Characterization of Fe(III)-Based 9-Metallacrown-3 Complexes Which Exhibit Magnetorefrigerant Properties.","Inorganic chemistry","2016","55","20","10238","10247","10.1021/acs.inorgchem.6b01404","","","1.54184","CuKα","","0.0452","0.0431","","","0.1243","0.1274","","","","","","1.056","","","","has coordinates","233156","2020-10-21","18:00:00",""
"4348872","14.1037","0.001","14.1037","0.001","31.38","0.002","90","","90","","120","","5405.7","0.6","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 Fe2 K2 N12 -","- C60 H48 Ag6 Br11 Fe2 K2 N12 -","- C180 H144 Ag18 Br33 Fe6 K6 N36 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0792","0.0639","","","0.1711","0.1831","","","","","","1.042","","","","has coordinates","233450","2020-10-21","18:00:00",""
"4348873","14.195","0.004","14.195","0.004","30.752","0.009","90","","90","","120","","5366","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 K N12 Ni2 -","- C60 H48 Ag6 Br11 K N12 Ni2 -","- C180 H144 Ag18 Br33 K3 N36 Ni6 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0552","0.0345","","","0.072","0.0788","","","","","","1.02","","","","has coordinates","233451","2020-10-21","18:00:00",""
"4348874","14.1784","0.0014","14.1784","0.0014","30.746","0.003","90","","90","","120","","5352.7","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 Co2 K N12 -","- C60 H48 Ag6 Br11 Co2 K N12 -","- C180 H144 Ag18 Br33 Co6 K3 N36 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.0453","0.0307","","","0.0652","0.0691","","","","","","1.136","","","","has coordinates","233453","2020-10-21","18:00:00",""
"4348879","14.2015","0.0011","14.2015","0.0011","30.753","0.002","90","","90","","120","","5371.4","0.7","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Br11 K N12 Zn2 -","- C60 H48 Ag6 Br11 K N12 Zn2 -","- C180 H144 Ag18 Br33 K3 N36 Zn6 -","3","0.166667","","Yue, Cheng-Yang; Lei, Xiao-Wu; Han, Yong-Fang; Lu, Xin-Xiu; Tian, Ya-Wei; Xu, Jing; Liu, Xiao-Fan; Xu, Xin","Transition-Metal-Complex Cationic Dyes Photosensitive to Two Types of 2D Layered Silver Bromides with Visible-Light-Driven Photocatalytic Properties.","Inorganic chemistry","2016","55","23","12193","12203","10.1021/acs.inorgchem.6b01770","","","0.71073","MoKα","","0.05","0.0343","","","0.0819","0.088","","","","","","1.045","","","","has coordinates","233460","2020-10-21","18:00:00",""
"4349052","12.6571","0.0008","12.6571","0.0008","30.388","0.002","90","","90","","120","","4216","0.5","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Ba Co2 N8 O12 S6 -","- C36 H78 Ba Co2 N8 O12 S6 -","- C108 H234 Ba3 Co6 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0645","0.0627","","","0.1493","0.15","","","","","","1.357","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349053","12.601","0.003","12.601","0.003","29.273","0.008","90","","90","","120","","4025.4","1.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Ca Co2 N8 O12 S6 -","- C36 H78 Ca Co2 N8 O12 S6 -","- C108 H234 Ca3 Co6 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.058","0.0409","","","0.0988","0.1085","","","","","","1.032","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349055","12.684","0.002","12.684","0.002","27.867","0.006","90","","90","","120","","3882.7","1.2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Co2 Mg N8 O12 S6 -","- C36 H78 Co2 Mg N8 O12 S6 -","- C108 H234 Co6 Mg3 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0418","0.0325","","","0.0797","0.0856","","","","","","1.059","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349056","12.638","0.004","12.638","0.004","29.797","0.008","90","","90","","120","","4122","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Co2 N8 O12 S6 Sr -","- C36 H78 Co2 N8 O12 S6 Sr -","- C108 H234 Co6 N24 O36 S18 Sr3 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0413","0.0363","","","0.0904","0.0937","","","","","","1.066","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349087","16.1016","0.0004","16.1016","0.0004","29.1535","0.001","90","","90","","120","","6545.7","0.3","180","","180","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H34 Eu N9 Na3 O15.5 -","- C36 H9 Eu N9 Na3 O15.51 -","- C216 H54 Eu6 N54 Na18 O93.06 -","6","0.333333","","Wei, Chen; Wei, Huibo; Yan, Weibo; Zhao, Zifeng; Cai, Zelun; Sun, Boxun; Meng, Zhaosha; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Water-Soluble and Highly Luminescent Europium(III) Complexes with Favorable Photostability and Sensitive pH Response Behavior.","Inorganic chemistry","2016","55","20","10645","10653","10.1021/acs.inorgchem.6b01897","","","0.71073","MoKα","","0.0543","0.0459","","","0.1218","0.1287","","","","","","1.077","","","","has coordinates","233573","2020-10-21","18:00:00",""
"4349174","18.0249","0.0006","18.0249","0.0006","13.4046","0.0005","90","","90","","120","","3771.6","0.2","299","2","299","2","","","","","","","","4","R -3 :H","-R 3","148","Indiumborate","In19B34O74(OH)11","","- B34 H11 In19 O85 -","- B34 H10.0002 In19 O85 -","- B102 H30.0006 In57 O255 -","3","0.166667","","Vitzthum, Daniela; Wurst, Klaus; Prock, Johannes; Brüggeller, Peter; Huppertz, Hubert","The Indium Borate In<sub>19</sub>B<sub>34</sub>O<sub>74</sub>(OH)<sub>11</sub> with T2 Supertetrahedra.","Inorganic chemistry","2016","55","21","11473","11478","10.1021/acs.inorgchem.6b02029","","","0.71073","MoKα","","0.0195","0.0165","","","0.0359","0.0366","","","","","","1.094","","","","has coordinates,has disorder","233663","2020-10-21","18:00:00",""
"4349712","17.908","0.002","17.908","0.002","10.94","0.0009","90","","90","","120","","3038.4","0.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H37 Cd6 O30.5 -","- C24 H24 Cd6 O30.5 -","- C72 H72 Cd18 O91.5 -","3","0.166667","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.71073","MoKα","","0.0382","0.036","","","0.0729","0.0735","","","","","","1.338","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4350067","37.4445","0.0004","37.4445","0.0004","42.9264","0.0005","90","","90","","120","","52123.2","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C152 H52 Cl0 N12 O0 Tb -","- C152 H52 N12 Tb -","- C2736 H936 N216 Tb18 -","18","1","","Yang, Liguo; Wang, Xin; Zhu, Mengliang; Xiao, Tongtong; Ouyang, Zhongwen; Bian, Yongzhong; Wang, Zhenxing; Jiang, Jianzhuang","Ferromagnetic coupling between 4f- and delocalized π-radical spins in mixed (phthalocyaninato)(porphyrinato) rare earth double-decker SMMs","Inorganic Chemistry Frontiers","2019","6","8","2142","","10.1039/C9QI00595A","","","0.71073","MoKα","","0.0882","0.0603","","","0.1909","0.2129","","","","","","0.815","","","","has coordinates","237971","2020-10-21","18:00:00",""
"4350326","44.371","0.0008","44.371","0.0008","15.5892","0.0004","90","","90","","120","","26579.9","1","183","2","183","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C325 H464 Al18 N18 O36 S12 -","- C325.14 H463.98 Al18 N18 O36 S12 -","- C975.42 H1391.94 Al54 N54 O108 S36 -","3","0.166667","","Löbl, Jiri; Pinkas, Jiri; Roesky, Herbert W.; Plass, Winfried; Görls, Helmar","A supramolecular hexameric ring from alumazene and methylsulfonate.","Inorganic chemistry","2006","45","17","6571","6573","10.1021/ic060490h","","","0.71073","MoKα","","0.1129","0.0744","","","0.1621","0.1907","","","","","","1.085","","","","has coordinates,has disorder","239838","2020-10-21","18:00:00",""
"4350340","20.33","0.01","20.33","0.01","26.35","0.02","90","","90","","120","","9432","10","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 As2 Cl6 Cu6 N12 O72 W18 -","- C48 As2 Cl6 Cu6 N12 O72 W18 -","- C144 As6 Cl18 Cu18 N36 O216 W54 -","3","0.166667","","Yamase, Toshihiro; Fukaya, Keisuke; Nojiri, Hiroyuki; Ohshima, Yuhgo","Ferromagnetic exchange interactions for Cu6(12+) and Mn6(12+) hexagons sandwiched by two B-alpha-[XW9O33]9- (X = As(III) and Sb(III)) ligands in D3d-symmetric polyoxotungstates.","Inorganic chemistry","2006","45","19","7698","7704","10.1021/ic060666f","","","0.7107","MoKα","","","0.026","","","","0.083","","","","","","1.012","","","","has coordinates","239846","2020-10-21","18:00:00",""
"4350341","20.15","0.01","20.15","0.01","27.36","0.02","90","","90","","120","","9620","10","173.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C48 H156 Cl6 Mn6 N12 O72 Sb2 W18 -","- C48 Cl6 Mn6 N12 O72 Sb2 W18 -","- C144 Cl18 Mn18 N36 O216 Sb6 W54 -","3","0.166667","","Yamase, Toshihiro; Fukaya, Keisuke; Nojiri, Hiroyuki; Ohshima, Yuhgo","Ferromagnetic exchange interactions for Cu6(12+) and Mn6(12+) hexagons sandwiched by two B-alpha-[XW9O33]9- (X = As(III) and Sb(III)) ligands in D3d-symmetric polyoxotungstates.","Inorganic chemistry","2006","45","19","7698","7704","10.1021/ic060666f","","","0.7107","MoKα","","","0.022","","","","0.073","","","","","","1.001","","","","has coordinates","239846","2020-10-21","18:00:00",""
"4350411","8.803","0.001","8.803","0.001","25.292","0.002","90","","90","","120","","1697.4","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C5 H30 Fe3 N3 O21 P6 -","- C5 H6 Fe3 N3.02 O21 P6 -","- C15 H18 Fe9 N9.06 O63 P18 -","3","0.166667","","Chung, U-Chan; Mesa, José L; Pizarro, José L; Fernandez, Jesús Rodríguez; Marcos, Jorge Sanchez; Garitaonandia, José S; Arriortua, María I; Rojo, Teófilo","Structural, thermal, spectroscopic, specific-heat, and magnetic studies of (C5H18N3)[Fe3(HPO3)6].3H2O: a new organically templated iron(III) phosphite with a pillared structure formed by the interpenetration of two subnets.","Inorganic chemistry","2006","45","22","8965","8972","10.1021/ic060815u","","","0.71073","MoKα","","0.0715","0.0349","","","0.0674","0.0768","","","","","","0.98","","","","has coordinates","239880","2020-10-21","18:00:00",""
"4350492","15.083","0.008","15.083","0.008","29.75","0.02","90","","90","","120","","5861","6","173.2","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 Mn N6 S3 -","- C30 H28 B Cl7 Mn N6 S3 -","- C180 H168 B6 Cl42 Mn6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0617","","","","0.089","","","","","","2.114","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350495","15.0294","0.0004","15.0294","0.0004","29.929","0.001","90","","90","","120","","5854.7","0.3","293.2","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 Fe N6 S3 -","- C30 H28 B Cl7 Fe N6 S3 -","- C180 H168 B6 Cl42 Fe6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0781","","","","0.1157","","","","","","2.715","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350498","15.026","0.001","15.026","0.001","29.712","0.003","90","","90","","120","","5809.6","0.8","173.2","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 Co N6 S3 -","- C30 H28 B Cl7 Co N6 S3 -","- C180 H168 B6 Cl42 Co6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0733","","","","0.1004","","","","","","2.045","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350502","14.973","0.004","14.973","0.004","29.775","0.008","90","","90","","120","","5781","3","173.1","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H28 B Cl7 N6 Ni S3 -","- C30 H28 B Cl7 N6 Ni S3 -","- C180 H168 B6 Cl42 N36 Ni6 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0578","","","","0.085","","","","","","1.343","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350504","15.052","0.002","15.052","0.002","30.392","0.004","90","","90","","120","","5963.2","1.4","173.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H22 B Cl6 I Mn N6 S3 -","- C30 H22 B Cl6 I Mn N6 S3 -","- C180 H132 B6 Cl36 I6 Mn6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0524","","","","0.0739","","","","","","1.137","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350507","15.01","0.001","15.01","0.001","30.252","0.004","90","","90","","120","","5902.6","1","173.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H28 B Cl6 Co I N6 S3 -","- C30 H28 B Cl6 Co I N6 S3 -","- C180 H168 B6 Cl36 Co6 I6 N36 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.0439","","","","0.0671","","","","","","1.172","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350509","14.897","0.007","14.897","0.007","30.399","0.014","90","","90","","120","","5842","5","293.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H28 B Cl6 I N6 Ni S3 -","- C30 H22 B Cl6 I N6 Ni S3 -","- C180 H132 B6 Cl36 I6 N36 Ni6 S18 -","6","0.333333","","Senda, Shunsuke; Ohki, Yasuhiro; Hirayama, Tomoko; Toda, Daisuke; Chen, Jing-Lin; Matsumoto, Tsuyoshi; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Mono{hydrotris(mercaptoimidazolyl)borato} complexes of manganese(II), iron(II), cobalt(II), and nickel(II) halides.","Inorganic chemistry","2006","45","24","9914","9925","10.1021/ic0610132","","","0.7107","MoKα","","","0.067","","","","0.2035","","","","","","1.388","","","","has coordinates","239910","2020-10-21","18:00:00",""
"4350710","19.2242","0.0002","19.2242","0.0002","37.5121","0.0008","90","","90","","120","","12006","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H36 N5 O Rh -","- C28 H36 N5 O Rh -","- C504 H648 N90 O18 Rh18 -","18","1","","Andrew, Rhiann E.; Chaplin, Adrian B.","Synthesis and reactivity of NHC-based rhodium macrocycles.","Inorganic chemistry","2015","54","1","312","322","10.1021/ic5024828","","x-ray","0.71073","MoKα","","0.0421","0.0374","","","0.0935","0.0958","","","","","","1.078","","","","has coordinates,has disorder","239992","2020-10-21","18:00:00",""
"4350746","24.1319","0.001","24.1319","0.001","43.5952","0.0018","90","","90","","120","","21986.3","1.6","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","C102H108N6O12(Me2SO)11(H2O)3","","","- C124 H180 N6 O26 S11 -","- C123.96 H179.88 N6 O25.99 S10.98 -","- C743.76 H1079.28 N36 O155.94 S65.88 -","6","0.333333","","Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya","Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate","Inorg. Chem. Front.","2014","1","1","53","","10.1039/C3QI00067B","","","0.71073","MoKα","","0.1155","0.0962","","","0.2112","0.2262","","","","","","1.025","","","","has coordinates,has disorder","244423","2020-10-21","18:00:00",""
"4500168","16.0155","0.001","16.0155","0.001","26.675","0.003","90","","90","","120","","5925.4","0.8","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H66 Cl2 Co N14 O12 -","- C54 H66 Cl2 Co N14 O11.9998 -","- C162 H198 Cl6 Co3 N42 O35.9994 -","3","0.166667","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0713","0.0529","","","0.1162","0.1203","","","","","","1.056","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500489","16.3706","0.0008","16.3706","0.0008","22.5362","0.0014","90","","90","","120","","5230.5","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","Cu-Nitroisophthalate","","","- C9 H5 Cu N3 O6 -","- C9 H5 Cu N3 O6 -","- C162 H90 Cu18 N54 O108 -","18","1","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.033","0.0278","","","0.0837","0.085","","","","","","1.107","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500664","21.037","0.003","21.037","0.003","53.66","0.011","90","","90","","120","","20566","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","tris(2,12-dimethyl-8-hydroxybiphenyl)benzene","1,3,5-tris(2,12-dimethyl-8-hydroxybiphenyl)benzene","","- C276 H375 N3 O72 -","- C276 H327 N3 O71.94 -","- C828 H981 N9 O215.82 -","3","0.166667","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1981","0.118","","","0.3001","0.3498","","","","","","1.134","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500686","30.5385","0.0007","30.5385","0.0007","5.8489","0.0002","90","","90","","120","","4723.9","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H9 O11 U1.5 -","- C12 H9 O11 U1.5 -","- C144 H108 O132 U18 -","12","0.666667","","Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry","Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)","Crystal Growth & Design","2011","11","5","1940","","10.1021/cg200106j","","","0.71073","MoKα","","0.0355","0.0221","","","0.0629","0.0674","","","","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500720","22.4425","0.0003","22.4425","0.0003","20.1201","0.0007","90","","90","","120","","8776.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 Cu N2 O7 -","- C20 H16 Cu N2 O7 -","- C360 H288 Cu18 N36 O126 -","18","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Consequences of Partial Flexibility in 1,3-Benzenedicarboxylate Linkers: Kagomé Lattice and NbO Supramolecular Isomers from Complexation of a Bulky 1,3-Benzenedicarboxylate to Cu(II) Paddlewheel Moieties","Crystal Growth & Design","2011","11","5","1441","","10.1021/cg200183x","","","1.54178","CuKα","","0.0777","0.0516","","","0.1329","0.146","","","","","","1.05","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4501142","32.389","0.003","32.389","0.003","3.8113","0.0006","90","","90","","120","","3462.6","0.7","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","2,3,4-trichlorophenol: MeOH","","","- C7 H3 Cl3 O1.33333 -","- C7 H3 Cl3 O1.33333 -","- C126 H54 Cl54 O24 -","18","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0507","0.0453","","","0.1173","0.1275","","","","","","1.162","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4501299","42.384","0.001","42.384","","5.095","0.001","90","","90","","120","","7926.4","1.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C40 H52 N2 Ni O2.5 -","- C38 H48 N2 Ni O2 -","- C342 H432 N18 Ni9 O18 -","9","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0665","0.0564","","","0.1449","0.152","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501304","19.641","0.017","19.641","0.017","45.07","0.03","90","","90","","120","","15057","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H33.33 Er3 O30.5 -","- C48 H27 Er3 O30.46 -","- C288 H162 Er18 O182.76 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0536","0.0409","","","0.1566","0.1634","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501305","19.7921","0.0009","19.7921","0.0009","45.383","0.0017","90","","90","","120","","15396","1.1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H31 Dy3 O27 -","- C48 H27 Dy3 O26.99 -","- C288 H162 Dy18 O161.94 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0823","0.0437","","","0.1445","0.1514","","","","","","0.966","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501306","19.8558","0.0007","19.8558","0.0007","45.5011","0.0014","90","","90","","120","","15535.6","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H31 O27 Tb3 -","- C48 H27 O26.95 Tb3 -","- C288 H162 O161.7 Tb18 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0722","0.0499","","","0.178","0.1868","","","","","","1.059","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501341","22.1486","0.0011","22.1486","0.0011","23.6629","0.0013","90","","90","","120","","10052.9","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","[Ni(aepa)2]3Sb6S12","","","- C30 H90 N18 Ni3 S12 Sb6 -","- C30 H90 N18 Ni3 S12 Sb6 -","- C180 H540 N108 Ni18 S72 Sb36 -","6","0.333333","","Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang","From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure","Crystal Growth & Design","2011","11","12","5554","","10.1021/cg201122e","","","0.71073","MoKα","","0.0481","0.038","","","0.0974","0.1028","","","","","","1.067","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501536","27.414","0.004","27.414","0.004","11.908","0.002","90","","90","","120","","7750","2","113.15","","113.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H74 N48 Ni13 O38 -","- C72 H73.98 N48 Ni13 O37.98 -","- C216 H221.94 N144 Ni39 O113.94 -","3","0.166667","","Hu, Bo-Wen; Zhao, Jiong-Peng; Tao, Jun; Sun, Xiao-Jun; Yang, Qian; Zhang, Xiao-Feng; Bu, Xian-He","A New Azido-Nickel Compound with Three-Dimensional Kagomé Topology","Crystal Growth & Design","2010","10","7","2829","","10.1021/cg100075k","","","0.710747","MoKα","","0.043","0.0401","","","0.1099","0.1121","","","","","","1.071","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501550","36.405","0.003","36.405","0.003","11.6941","0.0017","90","","90","","120","","13422","3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H38 I6 N6 Nd2 O17 -","- C30 H28 I6 N6 Nd2 O17 -","- C270 H252 I54 N54 Nd18 O153 -","9","0.5","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.0458","0.0377","","","0.1148","0.1255","","","","","","1.057","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501551","36.405","0.003","36.405","0.003","11.6941","0.0017","90","","90","","120","","13422","3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H17 I3 N3 Nd O8 -","- C15 H14 I3 N3 Nd O8 -","- C270 H252 I54 N54 Nd18 O144 -","18","1","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.055","0.0418","","","0.1182","0.1303","","","","","","0.721","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501552","36.415","0.002","36.415","0.002","11.6634","0.0013","90","","90","","120","","13394.2","1.8","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H17 I3 N3 Nd O8 -","- C15 H13 I3 N3 Nd O8 -","- C270 H234 I54 N54 Nd18 O144 -","18","1","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.0967","0.0495","","","0.122","0.1382","","","","","","0.939","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501553","36.431","0.0012","36.431","0.0012","11.6867","0.0008","90","","90","","120","","13432.7","1.1","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H17 I3 N3 Nd O8 -","- C15 H13 I3 N3 Nd O8 -","- C270 H234 I54 N54 Nd18 O144 -","18","1","","Dai, Fangna; Cui, Peipei; Ye, Fei; Sun, Daofeng","An Open Neodymium−Organic Framework with the NbO Structure Type Based on Binuclear SBU Involved In Situ Generated Formate","Crystal Growth & Design","2010","10","4","1474","","10.1021/cg1000914","","","0.71073","MoKα","","0.0667","0.0451","","","0.1377","0.1516","","","","","","1.108","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501756","29.4","0.02","29.4","0.02","24.86","0.03","90","","90","","120","","18609","3","293","2","198","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H22 Co4 N2 O14 -","- C28 H22 Co4 N2 O14 -","- C504 H396 Co72 N36 O252 -","18","1","","Baillargeon, Pierre; Fortin, Daniel; Dory, Yves L.","Hierarchical Self-Assembly of Lactams into Supramolecular CO-Spiked “Sea Urchins” and Then into a Channeled Crystal","Crystal Growth & Design","2010","10","10","4357","","10.1021/cg1003935","","","0.71073","MoKα","","0.6822","0.1998","","","0.1825","0.2761","","","","","","0.758","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501898","11.6599","0.0006","11.6599","0.0006","41.664","0.004","90","","90","","120","","4905.5","0.6","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C18 H31 Cu Mo12 N24 O40 P S6 -","- C18 H30 Cu Mo12 N24 O40 P S6 -","- C54 H90 Cu3 Mo36 N72 O120 P3 S18 -","3","0.166667","","Wang, Xiu-li; Hu, Hai-liang; Tian, Ai-xiang","Influence of Transition Metal Coordination Nature on the Assembly of Multinuclear Subunits in Polyoxometalates-Based Compounds","Crystal Growth & Design","2010","10","11","4786","","10.1021/cg1006742","","","0.71073","MoKα","","0.0358","0.0326","","","0.0944","0.0965","","","","","","0.983","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501899","11.666","0.0006","11.666","0.0006","41.825","0.004","90","","90","","120","","4929.6","0.6","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C18 H31 Mo12 N24 Ni O40 P S6 -","- C18 H30 Mo12 N24 Ni O40.04 P S6 -","- C54 H90 Mo36 N72 Ni3 O120.12 P3 S18 -","3","0.166667","","Wang, Xiu-li; Hu, Hai-liang; Tian, Ai-xiang","Influence of Transition Metal Coordination Nature on the Assembly of Multinuclear Subunits in Polyoxometalates-Based Compounds","Crystal Growth & Design","2010","10","11","4786","","10.1021/cg1006742","","","0.71073","MoKα","","0.0437","0.0354","","","0.0934","0.0976","","","","","","0.989","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501934","25.5178","0.0003","25.5178","0.0003","14.2324","0.0004","90","","90","","120","","8025.9","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H11 Mn1.5 N2 O7 -","- C11 H11 Mn1.5 N2 O7 -","- C198 H198 Mn27 N36 O126 -","18","1","","Wang, Wenyue; Niu, Xiling; Gao, Yongchao; Zhu, Yanyan; Li, Gang; Lu, Huijie; Tang, Mingsheng","One Chiral and Two Achiral 3-D Coordination Polymers Constructed by 2-Phenyl Imidazole Dicarboxylate","Crystal Growth & Design","2010","10","9","4050","","10.1021/cg100736x","","","0.71073","MoKα","","0.0549","0.0407","","","0.115","0.12","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502283","23.783","0.003","23.783","0.003","13.842","0.003","90","","90","","120","","6780.5","1.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H10.5 N10 O0.25 Zn -","- C10 H8 N10 O0.25 Zn -","- C180 H144 N180 O4.5 Zn18 -","18","1","","Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He","ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes","Crystal Growth & Design","2010","10","2","564","","10.1021/cg900934u","","","0.71073","MoKα","","0.1121","0.0744","","","0.1789","0.1969","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502355","16.5842","0.0003","16.5842","0.0003","18.3249","0.0008","90","","90","","120","","4364.8","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H66 Ce Mn3 N6 O36 -","- C36 H66 Ce Mn3 N6 O36 -","- C108 H198 Ce3 Mn9 N18 O108 -","3","0.166667","","Biju, A. R.; Rajasekharan, M. V.","[Mn(acac)2(HOCH3)2]3[Ce(NO3)6]—Icosahedral Anion Builds a Cubic Network","Crystal Growth & Design","2010","10","1","426","","10.1021/cg901027c","","","0.71073","MoKα","","0.0248","0.0238","","","0.058","0.0585","","","","","","1.118","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502411","15.0798","0.0019","15.0798","0.0019","35.075","0.009","90","","90","","120","","6907","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 N9 O8 S Zn -","- C27 H12 N9 O7.96 S Zn -","- C162 H72 N54 O47.76 S6 Zn6 -","6","0.333333","","Adarsh, N. N.; Dastidar, Parthasarathi","A Borromean Weave Coordination Polymer Sustained by Urea−Sulfate Hydrogen Bonding and Its Selective Anion Separation Properties","Crystal Growth & Design","2010","10","2","483","","10.1021/cg901159r","","","0.71073","MoKα","","0.097","0.0866","","","0.2358","0.2462","","","","","","1.087","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502437","7.3564","0.0006","7.3564","0.0006","37.734","0.006","90","","90","","120","","1768.5","0.3","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cl F8 O4 Pb4.5 -","- Cl F8 O4 Pb4.5 -","- Cl6 F48 O24 Pb27 -","6","0.333333","","Rogow, David L.; Russell, Matthew P.; Wayman, Lora M.; Swanson, Claudia H.; Oliver, Allen G.; Oliver, Scott R. J.","Hydrothermal Synthesis and Characterization of Three Cationic Inorganic−Organic Hybrid Materials Based on Lead Fluoride","Crystal Growth & Design","2010","10","2","823","","10.1021/cg9011923","","","0.71073","MoKα","","0.0319","0.0303","","","0.0867","0.0877","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502569","27.4012","0.0012","27.4012","0.0012","17.2577","0.0008","90","","90","","120","","11221.5","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H14 O9 S3 U -","- C21 H14 O9 S3 U -","- C378 H252 O162 S54 U18 -","18","1","","Rowland, Clare E.; Belai, Nebebech; Knope, Karah E.; Cahill, Christopher L.","Hydrothermal Synthesis of Disulfide-Containing Uranyl Compounds: In Situ Ligand Synthesis versus Direct Assembly","Crystal Growth & Design","2010","10","3","1390","","10.1021/cg901390n","","","0.71073","MoKα","","0.0471","0.0328","","","0.0613","0.0657","","","","","","1.076","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502697","35.65","0.005","35.65","0.005","6.306","0.002","90","","90","","120","","6941","3","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H30 N8 O2 -","- C36 H30 N8 O2 -","- C324 H270 N72 O18 -","9","0.5","","Varughese, Sunil; Draper, Sylvia M.","Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies","Crystal Growth & Design","2010","10","6","2571","","10.1021/cg9015383","","","0.71073","MoKα","","0.0856","0.0705","","","0.1896","0.1982","","","","","","1.134","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502711","21.393","0.003","21.393","0.003","11.998","0.002","90","","90","","120","","4755.4","1.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Co N2 O2 S -","- C9 H6 Co N2 O2 S -","- C162 H108 Co18 N36 O36 S18 -","18","1","","Yu, Qun; Zeng, Yong-Fei; Zhao, Jiong-Peng; Yang, Qian; Bu, Xian-He","Zeolite-like Metal−Organic Framework Based on a Flexible 2-(1H-benzimidazol-2-ylthio)acetic Ligand: Synthesis, Structures, and Properties","Crystal Growth & Design","2010","10","4","1878","","10.1021/cg901571m","","","0.71073","MoKα","","0.089","0.0842","","","0.1536","0.1554","","","","","","1.475","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502745","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4503392","19.0617","0.0012","19.0617","0.0012","25.3297","0.0013","90","","90","","120","","7970.5","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Cl6 Fe3 N54 O24 -","- C72 H108 Cl6 Fe3 N54 O24 -","- C216 H324 Cl18 Fe9 N162 O72 -","3","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.113","0.0608","","","0.1282","0.1451","","","","","","0.974","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503393","19.0308","0.0013","19.0308","0.0013","25.288","0.003","90","","90","","120","","7931.6","1.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 B6 F24 Fe3 N54 -","- C72 H108 B6 F24 Fe3 N54 -","- C216 H324 B18 F72 Fe9 N162 -","3","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.2237","0.1082","","","0.1489","0.1879","","","","","","1.041","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503404","16.6041","0.0002","16.6041","0.0002","24.1297","0.0005","90","","90","","120","","5761.2","0.15","273","2","273","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H15 Br2 N2 Pb0.5 -","- C8 H15 Br2 N2 Pb0.5 -","- C144 H270 Br36 N36 Pb9 -","18","1","","Thirumurugan, A.; Rao, C. N. R.","Supramolecular Organization in Lead Bromide Salts of Imidazolium-Based Ionic Liquids","Crystal Growth & Design","2008","8","5","1640","","10.1021/cg7010875","","","0.71073","MoKα","","0.0348","0.0249","","","0.0605","0.0642","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503557","9.7701","0.0014","9.7701","0.0014","14.179","0.003","90","","90","","120","","1172.1","0.3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- I3 In O9 -","- I3 In O9 -","- I18 In6 O54 -","6","0.333333","","Liu, Xiaomin; Li, Guanghua; Hu, Yawei; Yang, Ming; Kong, Xianggui; Shi, Zhan; Feng, Shouhua","Hydrothermal Synthesis and Crystal Structure of Polar and Nonpolar Compounds in Indium Iodate Family","Crystal Growth & Design","2008","8","7","2453","","10.1021/cg800034z","","","0.71073","MoKα","","0.0279","0.0259","","","0.0585","0.0595","","","","","","1.184","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503567","12.6751","0.0006","12.6751","0.0006","32.243","0.003","90","","90","","120","","4486.1","0.5","130","1","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C74 H48 Cd2 N12 P2 -","- C74 H47.94 Cd2 N12 P2 -","- C222 H143.82 Cd6 N36 P6 -","3","0.166667","","Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A New Approach to TCNQ-Based Coordination Polymers via TCNQH2","Crystal Growth & Design","2008","8","4","1123","","10.1021/cg800048e","","","0.71073","MoKα","","0.0374","0.0314","","","0.0745","0.0767","","","","","","1.102","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503570","13.4702","0.001","13.4702","0.001","31.214","0.002","90","","90","","120","","4904.9","0.6","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H44 N2 O36 P6 Zn9 -","- C51.9992 H43.9998 N2 O36.0002 P6 Zn9 -","- C155.998 H131.999 N6 O108.001 P18 Zn27 -","3","0.166667","","Li, Jin-Tang; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Zheng, Li-Min","Zinc 4-Carboxyphenylphosphonates with Pillared Layered Framework Structures Containing Large 12-Membered Rings Built Up from Tetranuclear Zn4Clusters and CPO3Linkages","Crystal Growth & Design","2008","8","8","2950","","10.1021/cg8000653","","","0.71073","MoKα","","0.0592","0.0431","","","0.0969","0.1008","","","","","","1.029","","","","has coordinates,has disorder","179569","2020-10-21","18:00:00",""
"4503571","13.3374","0.001","13.3374","0.001","31.652","0.005","90","","90","","120","","4876.1","0.9","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H31 N2 O18 P3 Zn4 -","- C27 H31 N2 O18 P3 Zn4 -","- C162 H186 N12 O108 P18 Zn24 -","6","0.333333","","Li, Jin-Tang; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Zheng, Li-Min","Zinc 4-Carboxyphenylphosphonates with Pillared Layered Framework Structures Containing Large 12-Membered Rings Built Up from Tetranuclear Zn4Clusters and CPO3Linkages","Crystal Growth & Design","2008","8","8","2950","","10.1021/cg8000653","","","0.71073","MoKα","","0.0753","0.0572","","","0.1581","0.166","","","","","","1.062","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503593","45.571","0.006","45.571","0.006","20.27","0.004","90","","90","","120","","36455","10","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H12 Cu4 N4 O20 -","- C32 H12 Cu4 N4 O20 -","- C576 H216 Cu72 N72 O360 -","18","1","","Xue, Ming; Zhu, Guangshan; Li, Yangxue; Zhao, Xiaojun; Jin, Zhao; Kang, Enhua; Qiu, Shilun","Structure, Hydrogen Storage, and Luminescence Properties of Three 3D Metal−Organic Frameworks with NbO and PtS Topologies","Crystal Growth & Design","2008","8","7","2478","","10.1021/cg8001114","","","0.71073","MoKα","","0.1897","0.0923","","","0.1383","0.1516","","","","","","0.952","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503746","14.018","0.003","14.018","0.003","31.122","0.009","90","","90","","120","","5296","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H7 O6.33 P Zn -","- C7 H4 O6.33333 P Zn -","- C126 H72 O114 P18 Zn18 -","18","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.1324","0.0729","","","0.1865","0.2302","","","","","","1.041","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503790","30.6147","0.0018","30.6147","0.0018","8.3342","0.0009","90","","90","","120","","6764.8","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H25 Cl2 Cu N8 O16.5 -","- C18 H20 Cl2 Cu N8 O14.5 -","- C162 H180 Cl18 Cu9 N72 O130.5 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.0843","0.0556","","","0.1634","0.192","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503791","30.536","0.006","30.536","0.006","8.27","0.003","90","","90","","120","","6678","3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H25 B2 Cu F8 N8 O8.5 -","- C18 H20 B2 Cu F8 N8 O6.5 -","- C162 H180 B18 Cu9 F72 N72 O58.5 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.1031","0.0717","","","0.1888","0.2245","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503792","30.938","0.003","30.938","0.003","8.399","0.0018","90","","90","","120","","6962.1","1.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H20 Cu F12 N8 O6.5 P2 -","- C18 H20 Cu F12 N8 O6.5 P2 -","- C162 H180 Cu9 F108 N72 O58.5 P18 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.0594","0.05","","","0.1608","0.1717","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503793","30.489","0.003","30.489","0.003","8.2611","0.0017","90","","90","","120","","6650.5","1.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H25 Cl2 Cu N8 O16.5 -","- C18 H20 Cl2 Cu N8 O16.5 -","- C162 H180 Cl18 Cu9 N72 O148.5 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.064","0.0514","","","0.1511","0.1636","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503796","26.501","0.003","26.501","0.003","16.0276","0.0019","90","","90","","120","","9748.2","1.9","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H24 Cl Mn N2 O7 -","- C18 H24 Cl Mn N2 O7 -","- C324 H432 Cl18 Mn18 N36 O126 -","18","1","","Li, Chun-Hong; Huang, Kun-Lin; Dou, Jian-Min; Chi, Ying-Nan; Xu, Yan-Qing; Shen, Long; Wang, Da-Qi; Hu, Chang-Wen","An Interesting Six-Connected 3D Nanowater Framework Constructed from Turbine-Type (H2O)18Clusters Based on a Mn(III) Complex","Crystal Growth & Design","2008","8","9","3141","","10.1021/cg800504a","","","0.71073","MoKα","","0.1195","0.0575","","","0.1413","0.1901","","","","","","1.045","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503938","25.1148","0.0014","25.1148","0.0014","15.2765","0.0017","90","","90","","120","","8344.8","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H24 F30 N15 P3 -","- C48 H24 F30 N15 P3 -","- C288 H144 F180 N90 P18 -","6","0.333333","","Chandrasekhar, Vadapalli; Thilagar, Pakkirisamy; Krishnan, Venkatasubbaiah; Bickley, James. F.; Steiner, Alexander","Click Synthesis of Fluorine-Rich Cyclotriphosphazene Hydrazones. Synthesis and Supramolecular Structures of N3P3(N(Me)NCHC6F5)6,spiro-N3P3(C12H8O2)(N(Me)NCHC6F5)4, anddispiro-N3P3(C12H8O2)2(N(Me)NCHC6F5)2","Crystal Growth & Design","2007","7","4","668","","10.1021/cg060496h","","","0.71073","MoKα","","0.0527","0.0388","","","0.0904","0.0967","","","","","","1.038","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503945","32.743","0.002","32.743","0.002","13.8177","0.0007","90","0.005","90","0.005","120","0.005","12829.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H48 Cl6 Cu7 N24 O4 -","- C36 H44 Cl6 Cu7 N24 O4 -","- C324 H396 Cl54 Cu63 N216 O36 -","9","0.5","","Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio","The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels","Crystal Growth & Design","2007","7","4","676","","10.1021/cg060501h","","","0.71073","MoKα","","0.08","0.0592","","","0.1633","0.1782","","","","","","1.02","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503947","18.549","0.007","18.549","0.007","50.77","0.03","90","","90","","120","","15128","12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H188 La12 N18 Na O115.5 -","- C102 H102 La12 N18 Na O115.52 -","- C306 H306 La36 N54 Na3 O346.56 -","3","0.166667","","Xu, Jing-Yuan; Zhao, Bin; Bian, He-Dong; Gu, Wen; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng; Shen, Pan-Wen","Syntheses, Structures, and Properties of Novel Cagelike Complexes Based on Dodecanuclear Lanthanide with a Large Cavity","Crystal Growth & Design","2007","7","6","1044","","10.1021/cg0605032","","","0.71073","MoKα","","0.2685","0.0695","","","0.1358","0.2182","","","","","","0.962","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503948","25.329","0.004","25.329","0.004","45.031","0.006","90","","90","","120","","25019","7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H219 N18 Na O131 Pr12 -","- C102 H188 N18 Na O131 Pr12 -","- C306 H564 N54 Na3 O393 Pr36 -","3","0.166667","","Xu, Jing-Yuan; Zhao, Bin; Bian, He-Dong; Gu, Wen; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng; Shen, Pan-Wen","Syntheses, Structures, and Properties of Novel Cagelike Complexes Based on Dodecanuclear Lanthanide with a Large Cavity","Crystal Growth & Design","2007","7","6","1044","","10.1021/cg0605032","","","0.71073","MoKα","","0.2128","0.0653","","","0.1415","0.2192","","","","","","1.097","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503949","25.305","0.008","25.305","0.008","45.08","0.03","90","","90","","120","","24999","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H219 N18 Na Nd12 O131 -","- C102 H188 N18 Na Nd12 O131 -","- C306 H564 N54 Na3 Nd36 O393 -","3","0.166667","","Xu, Jing-Yuan; Zhao, Bin; Bian, He-Dong; Gu, Wen; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng; Shen, Pan-Wen","Syntheses, Structures, and Properties of Novel Cagelike Complexes Based on Dodecanuclear Lanthanide with a Large Cavity","Crystal Growth & Design","2007","7","6","1044","","10.1021/cg0605032","","","0.71073","MoKα","","0.2062","0.0617","","","0.1277","0.1938","","","","","","1.069","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4504026","13.854","0.002","13.854","0.002","17.222","0.003","90","","90","","120","","2862.6","0.8","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 N14 Ni O6 -","- C30 H42 N14 Ni O6 -","- C90 H126 N42 Ni3 O18 -","3","0.166667","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.1129","0.0724","","","0.1898","0.2323","","","","","","1.02","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504192","22.9851","0.0009","22.9851","0.0009","12.4864","0.001","90","","90","","120","","5713","0.6","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H42 O6 P3 Sb Se6 -","- C18 H42 O6 P3 Sb Se6 -","- C108 H252 O36 P18 Sb6 Se36 -","6","0.333333","","Chang, Hao-Wei; Sarkar, Bijay; Liu, C. W.","Synthesis of Sb2Se3Nanowires via a Solvothermal Route from the Single Source Precursor Sb[Se2P(OiPr)2]3","Crystal Growth & Design","2007","7","12","2691","","10.1021/cg060954m","","","0.71073","MoKα","","0.0461","0.0341","","","0.0866","0.0955","","","","","","1.036","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504639","14.3139","0.001","14.3139","0.001","14.6728","0.0016","90","","90","","120","","2603.5","0.4","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H18 Co3 O18 -","- C12 H18 Co3 O18 -","- C72 H108 Co18 O108 -","6","0.333333","","Wang, Jing; Zheng, Ling-Ling; Li, Cui-Jin; Zheng, Yan-Zhen; Tong, Ming-Liang","Coexistence of Planar and Chair-Shaped Cyclic Water Hexamers in a Unique Cyclohexanehexacarboxylate-Bridged Metal−Organic Framework","Crystal Growth & Design","2006","6","2","357","","10.1021/cg050388f","","","0.71073","MoKα","","0.0341","0.0309","","","0.0776","0.0782","","","","","","1.101","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504707","28.4485","0.0015","28.4485","0.0015","9.9871","0.0007","90","","90","","120","","6999.9","0.7","125","2","125","2","","","","","","","","4","R -3 :H","-R 3","148","Ethylpyrogall[6]arene*12 DMSO Clathrate","Ethylpyrogall[6]arene*12 DMSO Clathrate","","- C13 H22 O5 S2 -","- C13 H22 O5 S2 -","- C234 H396 O90 S36 -","18","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks","Crystal Growth & Design","2006","6","3","719","","10.1021/cg050489d","","x-ray","0.71073","MoKα","","0.0426","0.0365","","","0.0977","0.103","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4504708","24.691","0.002","24.691","0.002","10.2849","0.0013","90","","90","","120","","5430.1","0.9","125","1","125","2","","","","","","","","4","R -3 :H","-R 3","148","Ethylpyrgall[6]arene*4.26 DMSO*1.74 Acetone Clathrate","Ethylpyrgall[6]arene*4.26 DMSO*1.74 Acetone Clathrate","","- C11.04 H15.67 O3.94 S0.79 -","- C11.2941 H16.0084 O4.0014 S0.7101 -","- C203.294 H288.151 O72.0252 S12.7818 -","18","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks","Crystal Growth & Design","2006","6","3","719","","10.1021/cg050489d","","x-ray","0.71073","MoKα","","0.0815","0.0461","","","0.0978","0.113","","","","","","1.021","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504952","15.107","0.0009","15.107","0.0009","18.019","0.002","90","","90","","120","","3561.4","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-bromophenoxy)-1,3,5-triazine, hexafluorobenzene","2,4,6-tris(4-bromophenoxy)-1,3,5-triazine, hexafluorobenzene","","- C48 H24 Br6 F6 N6 O6 -","- C48 H24 Br6 F6 N6 O6 -","- C144 H72 Br18 F18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0269","0.0246","","","0.0621","0.0632","","","","","","1.035","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504953","15.619","0.002","15.619","0.002","18.361","0.004","90","","90","","120","","3879.1","1.1","123","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, collidine","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, collidine","","- C50 H35 I6 N7 O6 -","- C49.98 H24 I6 N7.02 O6 -","- C149.94 H72 I18 N21.06 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0409","0.0377","","","0.0928","0.0945","","","","","","1.109","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4504954","15.6595","0.0013","15.6595","0.0013","18.681","0.002","90","","90","","120","","3967.2","0.6","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dibromomethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dibromomethane","","- C45 H30 Br3 I6 N6 O6 -","- C45 H24 Br3 I6 N6 O6 -","- C135 H72 Br9 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0843","0.0682","","","0.1871","0.2017","","","","","","1.056","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504955","15.7177","0.0005","15.7177","0.0005","18.9157","0.0009","90","","90","","120","","4047","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dichloromethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, dichloromethane","","- C43 H26 Cl2 I6 N6 O6 -","- C43.02 H26.04 Cl1.98 I6 N6 O6 -","- C129.06 H78.12 Cl5.94 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0612","0.0527","","","0.1728","0.1803","","","","","","1.109","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504956","15.6962","0.001","15.6962","0.001","18.9478","0.0018","90","","90","","120","","4042.8","0.5","145","2","145","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, diiodomethane","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, diiodomethane","","- C22 H14 I5 N3 O3 -","- C21.99 H13.98 I4.98 N3 O3 -","- C131.94 H83.88 I29.88 N18 O18 -","6","0.333333","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0667","0.0623","","","0.1462","0.1505","","","","","","1.094","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504957","15.686","0.004","15.686","0.004","18.583","0.007","90","","90","","120","","3960","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexachlorobenzene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexachlorobenzene","","- C48 H24 Cl6 I6 N6 O6 -","- C48 H24 Cl6 I6 N6 O6 -","- C144 H72 Cl18 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0347","0.0307","","","0.0828","0.0847","","","","","","1.064","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504958","15.668","0.003","15.668","0.003","18.475","0.005","90","","90","","120","","3927.7","1.5","183","2","183","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, mesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, mesitylene","","- C51 H36 I6 N6 O6 -","- C51 H24 I6 N6 O6 -","- C153 H72 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.059","0.0489","","","0.1167","0.1237","","","","","","1.057","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504959","15.583","0.0006","15.583","0.0006","18.3563","0.0014","90","","90","","120","","3860.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1-methylnapthalene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1-methylnapthalene","","- C53 H34 I6 N6 O6 -","- C53.02 H24 I6 N6 O6 -","- C159.06 H72 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0223","0.021","","","0.0546","0.0553","","","","","","1.149","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504960","15.7356","0.0008","15.7356","0.0008","18.3863","0.0013","90","","90","","120","","3942.7","0.4","145","2","145","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, tribromomesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, tribromomesitylene","","- C51 H33 Br3 I6 N6 O6 -","- C51 H33 Br3 I6 N6 O6 -","- C153 H99 Br9 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0501","0.0482","","","0.1144","0.116","","","","","","1.08","","","","has coordinates,has disorder","179584","2020-10-21","18:00:00",""
"4504961","15.9236","0.0009","15.9236","0.0009","18.425","0.002","90","","90","","120","","4046","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1,3,5-triiodomesitylene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, 1,3,5-triiodomesitylene","","- C51 H33 I9 N6 O6 -","- C51 H24 I9 N6 O6 -","- C153 H72 I27 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.0275","0.0239","","","0.0609","0.0629","","","","","","1.092","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504962","15.5466","0.0004","15.5466","0.0004","18.1511","0.0011","90","","90","","120","","3799.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexafluorobenzene","2,4,6-tris(4-iodophenoxy)-1,3,5-triazine, hexafluorobenzene","","- C48 H24 F6 I6 N6 O6 -","- C48 H24 F6 I6 N6 O6 -","- C144 H72 F18 I18 N18 O18 -","3","0.166667","","Saha, Binoy K.; Jetti, Ram K. R.; Reddy, L. Sreenivas; Aitipamula, Srinivasulu; Nangia, Ashwini","Halogen Trimer-Mediated Hexagonal Host Framework of 2,4,6-Tris(4-halophenoxy)-1,3,5-triazine. Supramolecular Isomerism from Hexagonal Channel (X = Cl, Br) to Cage Structure (X = I)","Crystal Growth & Design","2005","5","3","887","","10.1021/cg049691r","","","0.71073","MoKα","","0.022","0.0212","","","0.0584","0.0589","","","","","","1.106","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4505065","13.9822","0.0005","13.9822","0.0005","53.094","0.004","90","","90","","120","","8989.3","0.8","298","2","298","2","","","","","","","","2","R -3 :H","-R 3","148","1,1,1,6,6,6-hexaphenyl-2,4-hexadiyne","","","- C42 H30 -","- C42 H30 -","- C504 H360 -","12","0.666667","","Karlen, Steven D.; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Removal of Conflicting Molecular Symmetries Restores a Hexagonal Array of Six-Fold Phenyl Embraces in a bis(Trityl)-Containing Compound. I. Crystals of 1,1,1,6,6,6-Hexaphenyl-2,4-hexadiyne","Crystal Growth & Design","2005","5","1","53","","10.1021/cg049898k","","","0.71073","MoKα","","0.1123","0.0477","","","0.116","0.1415","","","","","","1","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505236","17.562","0.003","17.562","0.003","26.71","0.005","90","","90","","120","","7134","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H106 N6 Ni2 O37 -","- C78 H60 N6 Ni2 O36.96 -","- C234 H180 N18 Ni6 O110.88 -","3","0.166667","","Sun, Yan-Qiong; Zhang, Jie; Ju, Zhan-Feng; Yang, Guo-Yu","Two-Dimensional Noninterpenetrating Transition Metal Coordination Polymers with Large Honeycomb-like Hexagonal Cavities Constructed from a Carboxybenzyl Viologen Ligand","Crystal Growth & Design","2005","5","5","1939","","10.1021/cg050249y","","","0.71073","MoKα","","0.0806","0.0769","","","0.2152","0.2205","","","","","","1.089","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505237","17.7161","0.0008","17.7161","0.0008","26.869","0.003","90","","90","","120","","7303.3","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H106 Co2 N6 O37 -","- C78 H60 Co2 N6 O36.96 -","- C234 H180 Co6 N18 O110.88 -","3","0.166667","","Sun, Yan-Qiong; Zhang, Jie; Ju, Zhan-Feng; Yang, Guo-Yu","Two-Dimensional Noninterpenetrating Transition Metal Coordination Polymers with Large Honeycomb-like Hexagonal Cavities Constructed from a Carboxybenzyl Viologen Ligand","Crystal Growth & Design","2005","5","5","1939","","10.1021/cg050249y","","","0.71073","MoKα","","0.0864","0.0773","","","0.2062","0.2159","","","","","","1.129","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505296","10.593","0.002","10.593","0.002","49.319","0.009","90","","90","","120","","4792.7","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","Zn(bbsb).(ClO4)2.(CHCl3)","","","- C37 H79 Cl5 O14 S6 Zn -","- C37 H79 Cl5 O14 S6 Zn -","- C111 H237 Cl15 O42 S18 Zn3 -","3","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1605","0.0754","","","0.1475","0.1765","","","","","","1.016","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505568","20.962","0.003","20.962","0.003","32.498","0.005","90","","90","","120","","12367","3","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","hexakis(dimethylammonium) [dodekakis(mu-pyrazine-2,5-dicarboxylato) -k2N,O:kO')hexaindate(III)]","","- C84 H72 In6 N30 O48 -","- C84 H72 In6 N30 O48 -","- C252 H216 In18 N90 O144 -","3","0.166667","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.1136","0.0547","","","0.1194","0.1278","","","","","","0.853","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505625","24.388","0.003","24.388","0.003","14.249","0.002","90","","90","","120","","7339.5","1.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H30 Co3 N4 O16 -","- C26 H34 Co3 N4 O16 -","- C234 H306 Co27 N36 O144 -","9","0.5","","Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang","Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures","Crystal Growth & Design","2012","12","3","1091","","10.1021/cg300027h","","","0.71073","MoKα","","0.1204","0.0528","","","0.099","0.1176","","","","","","0.957","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505677","24.665","0.003","24.665","0.003","30.702","0.004","90","","90","","120","","16176","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-cobalt(II), clathrate with Chloroform (1:4.84)","","- C106.84 H82.84 Cl14.53 Co3 N6 O12 -","- C106.838 H82.838 Cl14.514 Co3 N6 O12 -","- C641.028 H497.028 Cl87.084 Co18 N36 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.1027","0.0573","","","0.1505","0.1703","","","","","","0.984","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505678","24.613","0.003","24.613","0.003","30.349","0.004","90","","90","","120","","15922","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-cobalt(II), clathrate with Chloroform (1:4.11)","","- C106.1 H82.1 Cl12.29 Co3 N6 O12 -","- C106.096 H82.096 Cl12.288 Co3 N6 O12 -","- C636.576 H492.576 Cl73.728 Co18 N36 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.136","0.08","","","0.2021","0.2338","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505681","24.64","0.004","24.64","0.004","30.549","0.005","90","","90","","120","","16062","5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-nickel(II), clathrate with Chloroform (1:4.68)","","- C106.68 H82.68 Cl14.04 N6 Ni3 O12 -","- C106.678 H82.678 Cl14.034 N6 Ni3 O12 -","- C640.068 H496.068 Cl84.204 N36 Ni18 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.1304","0.0581","","","0.1353","0.1562","","","","","","0.871","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505756","11.735","0.002","11.735","0.002","28.352","0.006","90","","90","","120","","3381.3","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H66 Ag2 Cl2 O8 S6 -","- C30 H66 Ag2 Cl2 O8 S6 -","- C90 H198 Ag6 Cl6 O24 S18 -","3","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.0543","0.0362","","","0.0809","0.0864","","","","","","1.033","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505896","28.3294","0.0003","28.3294","0.0008","7.2009","0.0005","90","","90","","120","","5004.9","0.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9.33 H17 Cl0.67 N2.33 -","- C9.33 H17 Cl0.67 N2.33 -","- C167.94 H306 Cl12.06 N41.94 -","18","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.0724","0.0564","","","0.1467","0.1597","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505897","28.247","0.001","28.247","0.002","7.301","0.002","90","","90","","120","","5045","1.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H17 Cl0.3 N4.1 -","- C9 H17 Cl0.3 N4.1 -","- C162 H306 Cl5.4 N73.8 -","18","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.085","0.0631","","","0.1567","0.174","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506022","18.5021","0.0005","18.5021","0.0005","11.901","0.0004","90","","90","","120","","3528.22","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H3 Ca N O4 -","- C7 H3 Ca N O4 -","- C126 H54 Ca18 N18 O72 -","18","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0286","0.0239","","","0.063","0.0659","","","","","","1.038","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506031","43.7719","0.0013","43.7719","0.0013","12.7427","0.0008","90","","90","","120","","21143.8","1.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H38 Cl4 N6 O18 -","- C33 H33 Cl4 N6 O18 -","- C594 H594 Cl72 N108 O324 -","18","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0839","0.0702","","","0.181","0.1909","","","","","","1.064","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506129","11.818","0.002","11.818","0.002","44.264","0.009","90","","90","","120","","5353.9","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H36 I7 N2 Na O6 -","- C21 H36 I7 N2 Na O6 -","- C126 H216 I42 N12 Na6 O36 -","6","0.333333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0819","0.0786","","","0.1815","0.1836","","","","","","1.187","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506130","12.045","0.0017","12.045","0.0017","43.88","0.009","90","","90","","120","","5513.3","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H72 I14 K2 N4 O12 -","- C42 H72 I14 K2 N4 O12 -","- C126 H216 I42 K6 N12 O36 -","3","0.166667","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0657","0.0494","","","0.1325","0.1394","","","","","","1.045","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4506131","12.205","0.0005","12.205","0.0005","43.361","0.002","90","","90","","120","","5593.8","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H72 I14 N4 O12 Rb2 -","- C42 H72 I14 N4 O12 Rb2 -","- C126 H216 I42 N12 O36 Rb6 -","3","0.166667","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.07","0.063","","","0.1508","0.1551","","","","","","1.08","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4506882","27.314","0.007","27.314","0.007","22.74","0.012","90","","90","","120","","14692","9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38.33 H24.33 Mn N3.67 O4 -","- C38.34 H24.34 Mn N3.66 O4 -","- C690.12 H438.12 Mn18 N65.88 O72 -","18","1","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Qu, Yang-Kun; Hu, Tong-Liang; Bu, Xian-He","A Two-Fold Interpenetrated Coordination Framework with a Rare (3,6)-Connected loh1 Topology: Magnetic Properties and Photocatalytic Behavior","Crystal Growth & Design","2012","12","11","5426","","10.1021/cg301010x","","","0.71073","MoKα","","0.201","0.1186","","","0.2072","0.2394","","","","","","1.172","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506904","43.8139","0.0008","43.8139","0.0008","17.2006","0.0003","90","","90","","120","","28595.5","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C49 H57 N7 O24 Zn3 -","- C49 H57 N7 O24 Zn3 -","- C882 H1026 N126 O432 Zn54 -","18","1","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0697","0.053","","","0.1422","0.1467","","","","","","1.034","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506984","14.7134","0.0002","14.7134","0.0002","37.5243","0.0005","90","","90","","120","","7035.08","0.16","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H44 B2 F8 Fe N12 O4 -","- C42 H36 Fe N12 -","- C252 H216 Fe6 N72 -","6","0.333333","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.041","0.0374","","","0.1055","0.1078","","","","","","1.099","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506996","25.183","0.001","25.183","0.001","13.23","0.001","90","","90","","120","","7266.2","0.7","153","2","153","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C43 H26 S2 -","- C42 H26 S2 -","- C378 H234 S18 -","9","0.5","","Mosca, Lorenzo; Koutník, Petr; Lynch, Vincent M.; Zyryanov, Grigory V.; Esipenko, Nina A.; Anzenbacher, Pavel","Host‒Guest Complexes of Pentiptycene Receptors Display Edge-to-Face Interaction","Crystal Growth & Design","2012","12","12","6104","","10.1021/cg301238e","","","0.71075","MoKα","","0.1169","0.0591","","","0.1445","0.1586","","","","","","1.12","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4507118","18.1473","0.001","18.1473","0.001","36.182","0.004","90","","90","","120","","10319.2","1.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H25.32 Co O8.67 -","- C32 H25.32 Co O8.66667 -","- C288 H227.88 Co9 O78 -","9","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0488","0.0401","","","0.1183","0.1223","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507204","26.625","0.007","26.625","0.007","20.024","0.007","90","","90","","120","","12293","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H21 Cu3 N6 O8.5 -","- C13 H21 Cu3 N6 O8.5 -","- C234 H378 Cu54 N108 O153 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1307","0.066","","","0.1613","0.1725","","","","","","0.952","","","","has coordinates,has disorder","188994","2020-10-21","18:00:00",""
"4507207","26.795","0.005","26.795","0.005","19.751","0.004","90","","90","","120","","12281","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H18 Cu3 N6 O8 -","- C14 H17 Cu3 N6 O7.45 -","- C252 H306 Cu54 N108 O134.1 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1032","0.0778","","","0.2227","0.2617","","","","","","1.082","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507343","24.8037","0.0006","24.8037","0.0006","42.7922","0.0019","90","","90","","120","","22799.7","1.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C123 H135 Cl0 Eu F36 N9 O33 Tb3 -","- C87 H45 Eu F36 N9 O30 Tb3 -","- C522 H270 Eu6 F216 N54 O180 Tb18 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.066","0.0598","","","0.1717","0.1815","","","","","","1.089","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507344","24.8541","0.0007","24.8541","0.0007","42.446","0.004","90","","90","","120","","22707","2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C105 H87 Cl0 Eu3 F36 N9 O30 Tb -","- C87 H45 Eu3 F36 N9 O30 Tb -","- C522 H270 Eu18 F216 N54 O180 Tb6 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0607","0.0515","","","0.1382","0.1485","","","","","","1.061","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507668","27.384","0.0006","27.384","0.0006","9.114","0.0004","90","","90","","120","","5918.8","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C144 H144 Mg18 N27 O90 -","9","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.71073","MoKα","","0.1035","0.0768","","","0.2388","0.2543","","","","","","1.052","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507933","38.074","0.01","38.074","0.01","24.316","0.013","90","","90","","120","","30527","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H84 Cl6 Cu6 Gd2 N6 O72 -","- C15 H27 Cu6 Gd2 N6 O33 -","- C270 H486 Cu108 Gd36 N108 O594 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0993","0.0593","","","0.1405","0.1482","","","","","","0.984","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507934","38.002","0.005","38.002","0.005","24.348","0.006","90","","90","","120","","30451","9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H80 Cl6 Cu6 N6 O70 Tb2 -","- C15 H27 Cu6 N6 O33 Tb2 -","- C270 H486 Cu108 N108 O594 Tb36 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0756","0.0468","","","0.1058","0.1131","","","","","","0.975","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508324","29.4749","0.0007","29.4749","0.0007","6.1687","0.0003","90","","90","","120","","4641.2","0.3","100","","100","2","","","","","","","","4","R -3 :H","-R 3","148","","1,2-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C108 H144 B36 O72 -","18","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.1447","0.0506","","","0.0646","0.0722","","","","2.49","2.49","1.78","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508472","54.929","0.004","54.929","0.004","8.6324","0.0006","90","","90","","120","","22556","3","294","2","294","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C105 H97 N16 O24 -","- C105 H97 N16 O24 -","- C945 H873 N144 O216 -","9","0.5","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.1146","0.0942","","","0.2203","0.2307","","","","","","1.146","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508861","6.5733","0.0009","6.5733","0.0009","16.731","0.003","90","","90","","120","","626.07","0.17","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ag2 Cl6 Re -","- Ag2 Cl6 Re -","- Ag6 Cl18 Re3 -","3","0.166667","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan","A Two-Dimensional ReIVAgICompound: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2006","6","10","2204","","10.1021/cg060375h","","","0.71073","MoKα","","0.038","0.0379","","","0.1026","0.1026","","","","","","1.156","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508955","22.6389","0.0006","22.6389","0.0006","9.3466","0.0005","90","","90","","120","","4148.5","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H12 N3 O16 Pr3.25 -","- C21 H12 N3 O16 Pr3.25 -","- C126 H72 N18 O96 Pr19.5 -","6","0.333333","","Shi, Fa-Nian; Cunha-Silva, Luís; Trindade, Tito; Paz, Filipe A. Almeida; Rocha, João","Three-Dimensional Lanthanide−Organic Frameworks Based on Di-, Tetra-, and Hexameric Clusters","Crystal Growth & Design","2009","9","5","2098","","10.1021/cg8004932","","","0.71073","MoKα","","0.0225","0.0203","","","0.05","0.0508","","","","","","1.187","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509099","32.826","0.0012","32.826","0.0012","18.669","0.0014","90","","90","","120","","17421.6","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C222 H192 Co9 N72 O51 -","- C222 H192 Co9 N72 O51 -","- C666 H576 Co27 N216 O153 -","3","0.166667","","Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Architecture of Hydrogen-Bonded Three-Dimensional NbO Net Based on Hydrogen Carbonate or Trimesic Acid Using a Hydrophobic, Predesigned, Cubic Cation [Co(H2O)6⊂Co8L12] as a Template","Crystal Growth & Design","2009","9","1","546","","10.1021/cg800852d","","","0.71073","MoKα","","0.0883","0.0634","","","0.1861","0.205","","","","","","1.021","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509168","13.3784","0.0003","13.3784","0.0003","34.0617","0.0012","90","","90","","120","","5279.7","0.3","150","","150","","","","","","","","CM3009","6","R -3 :H","-R 3","148","","","","- C30 H39 Cl Mn3 N3 O14 -","- C30 H39 Cl Mn3 N3 O14 -","- C180 H234 Cl6 Mn18 N18 O84 -","6","0.333333","","Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Supramolecular Entanglement from Interlocked Molecular Nanomagnets","Crystal Growth & Design","2009","9","1","24","","10.1021/cg800947z","","","0.71073","MoKα","","0.0387","0.0288","","0.0679","0.066","0.0679","","","","","","0.8547","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509204","31.681","0.015","31.681","0.015","14.297","0.01","90","","90","","120","","12427","12","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H10 Cu O5 -","- C14 H10 Cu O5 -","- C252 H180 Cu18 O90 -","18","1","","Feng, Lu; Chen, Zhenxia; Liao, Tengbiao; Li, Peng; Jia, Yu; Liu, Xiaofeng; Yang, Yongtai; Zhou, Yaming","Supramolecular Isomerism of Metal−Organic Frameworks Derived from a Bicarboxylate Linker with Two Distinct Binding Motifs","Crystal Growth & Design","2009","9","3","1505","","10.1021/cg801026y","","","0.71073","MoKα","","0.0538","0.0362","","","0.083","0.0866","","","","","","0.865","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509395","37.1385","0.0014","37.1385","0.0014","10.149","0.0008","90","","90","","120","","12122.8","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H84 Cl12 N36 O18 Zn6 -","- C90 H84 Cl12 N36 O18 Zn6 -","- C270 H252 Cl36 N108 O54 Zn18 -","3","0.166667","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.1175","0.0699","","","0.145","0.1608","","","","","","1.057","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509871","13.139","0.005","13.139","0.005","30.095","0.012","90","","90","","120","","4499","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mg N20 O12 -","- C48 H72 Cl2 Mg N20 O12 -","- C144 H216 Cl6 Mg3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0925","0.0543","","","0.1395","0.199","","","","","","1.189","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509872","13.241","0.002","13.241","0.002","31.07","0.005","90","","90","","120","","4717.5","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Ca Cl2 N20 O12 -","- C48 H72 Ca Cl2 N20 O12 -","- C144 H216 Ca3 Cl6 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.047","0.0326","","","0.0738","0.0941","","","","","","1.047","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509873","13.201","0.004","13.201","0.004","30.575","0.009","90","","90","","120","","4614","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mn N20 O12 -","- C48 H72 Cl2 Mn N20 O12 -","- C144 H216 Cl6 Mn3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0456","0.0329","","","0.0963","0.1024","","","","","","1.155","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509904","49.7671","0.0012","49.7671","0.0012","29.6709","0.0016","90","","90","","120","","63642","4","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C133.53 H207.47 N8 O24 -","- C133.44 H207.36 N8 O24 -","- C2401.92 H3732.48 N144 O432 -","18","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier","Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks","Crystal Growth & Design","2014","14","2","467","","10.1021/cg401097e","","","0.7107","MoKα","","0.1504","0.0937","","","0.2465","0.3146","","","","","","1.042","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509927","22.117","","22.117","","24.215","0.005","90","","90","","120","","10258","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H132 O18 Ru6 Sn6 -","- C144 H132 O18 Ru6 Sn6 -","- C432 H396 O54 Ru18 Sn18 -","3","0.166667","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0435","0.035","","","0.0813","0.0859","","","","","","1.077","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510057","26.6907","0.0006","26.6907","","10.8875","0.0002","90","","90","","120","","6717.1","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman methanol clathrate","","- C55 H64 O7 -","- C55 H60 O7 -","- C330 H360 O42 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0515","0.0419","","","0.1128","0.1161","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510058","26.7277","0.0016","26.7277","","10.861","0.0005","90","","90","","120","","6719.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H63 N O8 -","- C54.9999 H62.9997 N0.9999 O7.9998 -","- C329.999 H377.998 N5.9994 O47.9988 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0841","0.0702","","","0.1761","0.1836","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510059","26.6925","0.0014","26.6925","","10.9396","0.0004","90","","90","","120","","6750.1","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman ethanol clathrate","","- C56 H66 O7 -","- C55.9998 H65.9994 O6.9999 -","- C335.999 H395.996 O41.9994 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0921","0.0611","","","0.1466","0.1537","","","","","","1.029","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510060","26.8114","0.0006","26.8114","","10.8567","0.0003","90","","90","","120","","6758.8","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman dichloroethane clathrate","","- C110 H124 Cl2 O12 -","- C110 H124.001 Cl2.0004 O12 -","- C330.001 H372.002 Cl6.0012 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0608","0.0549","","","0.161","0.165","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510061","26.7934","0.0006","26.7934","","10.8917","0.0002","90","","90","","120","","6771.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman hexane clathrate","","- C114 H134 O12 -","- C113.999 H133.999 O12 -","- C341.998 H401.996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","1.54178","CuKα","","0.0422","0.0366","","","0.0954","0.1","","","","","","1.005","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510062","26.626","0.0004","26.626","","11.0546","0.0002","90","","90","","120","","6787.12","0.16","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetic acid clathrate","","- C56 H64 O8 -","- C56.0004 H64.0008 O8.0004 -","- C336.002 H384.005 O48.0024 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0467","0.04","","","0.1125","0.1153","","","","","","1.003","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510063","26.871","0.0008","26.871","","10.8595","0.0002","90","","90","","120","","6790.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman fluorobenzene clathrate","","- C114 H125 F O12 -","- C114.001 H125.001 F1.0002 O12 -","- C342.004 H375.003 F3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.081","0.0553","","","0.1552","0.1668","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510064","26.8516","0.0014","26.8516","","10.9156","0.0005","90","","90","","120","","6815.8","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman bromoform clathrate","","- C109 H121 Br3 O12 -","- C109 H121 Br3.0006 O12 -","- C327.001 H363.001 Br9.0018 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0684","0.0532","","","0.172","0.1773","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510065","26.8671","0.0008","26.8671","","10.8701","0.0002","90","","90","","120","","6795.3","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrachloride clathrate","","- C109 H120 Cl4 O12 -","- C109 H120 Cl4 O12 -","- C327 H360 Cl12 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0465","0.0397","","","0.1118","0.1146","","","","","","1.001","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510066","26.9382","0.0008","26.9382","","10.8315","0.0002","90","","90","","120","","6807","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman chlorobenzene clathrate","","- C114 H125 Cl O12 -","- C114.001 H125.001 Cl1.0002 O12 -","- C342.004 H375.003 Cl3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0714","0.0583","","","0.142","0.1477","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510067","26.971","0.001","26.971","","10.7851","0.0003","90","","90","","120","","6794.4","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman iodobenzene clathrate","","- C114 H125 I O12 -","- C114.001 H125.001 I1.0002 O12 -","- C342.004 H375.003 I3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.1283","0.1143","","","0.2206","0.2268","","","","","","1.163","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510068","26.9737","0.0006","26.9737","","10.8105","0.0002","90","","90","","120","","6811.7","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C114 H125 Br O12 -","- C114.001 H125.001 Br1.0002 O12 -","- C342.004 H375.003 Br3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0881","0.0854","","","0.1835","0.1847","","","","","","1.167","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510069","26.8442","0.0006","26.8442","","10.9227","0.0002","90","","90","","120","","6816.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetone clathrate","","- C57 H66 O7 -","- C57.0006 H66.0012 O7.0002 -","- C342.004 H396.007 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0587","0.0451","","","0.1144","0.1188","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510070","26.9804","0.0008","26.9804","","10.8173","0.0002","90","","90","","120","","6819.4","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman toluene clathrate","","- C115 H128 O12 -","- C115.001 H128.002 O12 -","- C345.004 H384.005 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0946","0.0828","","","0.2136","0.2194","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510071","26.904","0.0006","26.904","","10.885","0.0002","90","","90","","120","","6823.3","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman benzene clathrate","","- C114 H126 O12 -","- C114.001 H126.001 O12 -","- C342.004 H378.004 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0638","0.0485","","","0.1474","0.1546","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510072","26.8873","0.0008","26.8873","","10.9267","0.0002","90","","90","","120","","6840.9","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrahydrofuran clathrate","","- C58 H68 O7 -","- C58.0008 H68.0016 O7.0002 -","- C348.005 H408.01 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.056","0.0458","","","0.1327","0.1378","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510073","26.9547","0.0006","26.9547","","10.9143","0.0002","90","","90","","120","","6867.5","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman trimethyl acetonitrile clathrate","","- C113 H129 N O12 -","- C111.666 H129 N0.3332 O12 -","- C334.999 H387 N0.9996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0709","0.0609","","","0.1664","0.1719","","","","","","1.002","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510096","20.852","0.003","20.852","0.003","56.734","0.019","90","","90","","120","","21363","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C114 H162 Cu6 N30 O48 -","- C114 H144 Cu6 N30 O48 -","- C684 H864 Cu36 N180 O288 -","6","0.333333","","El Bakkali, Hanan; Choquesillo-Lazarte, Duane; Domínguez-Martín, Alicia; Pérez-Toro, M. Inmaculada; Lezama, L.; González-Pérez, Josefa M.; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","Cocrystallization of Mononuclear and Trinuclear Metallacycle Molecules from an Aqueous Mixed-Ligand Copper(II) Solution","Crystal Growth & Design","2014","14","3","889","","10.1021/cg4015898","","","0.71073","MoKα","","0.1164","0.0674","","","0.1713","0.1953","","","","","","0.992","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510460","31.3213","0.0013","31.3213","0.0013","13.0094","0.0006","90","","90","","120","","11052.7","0.8","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H25 N O5 S -","- C24 H23 N O5 S -","- C432 H414 N18 O90 S18 -","18","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0913","0.0592","","","0.1393","0.1537","","","","","","1.019","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510538","26.0229","0.0003","26.0229","0.0003","11.2044","0.0002","90","","90","","120","","6570.99","0.16","90","","90","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C234 H252 Cl18 N54 O54 -","18","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0287","0.0287","","","0.0314","0.0314","","","","","","1.562","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510748","22.575","0.012","22.575","0.012","11.483","0.002","90","","90","","120","","5068","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H7 Co N O4 -","- C9 H7 Co N O4 -","- C162 H126 Co18 N18 O72 -","18","1","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.1394","0.0995","","","0.219","0.243","","","","","","1.147","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510842","29.022","0.0012","29.022","0.0012","5.8586","0.0012","90","","90","","120","","4273.5","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol methanol clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1268","0.0651","","","","0.1237","","","","","","1.067","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510843","29.0335","0.0013","29.0335","0.0013","5.841","0.0002","90","","90","","120","","4264","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1562","0.0659","","","","0.1458","","","","","","1.005","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510844","29.0243","0.0019","29.0243","0.0019","5.8381","0.0019","90","","90","","120","","4259.2","1.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.136","0.0451","","","","0.1004","","","","","","0.917","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510845","28.785","0.005","28.785","0.005","5.987","0.005","90","","90","","120","","4296","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-phenoxyphenol acetonitrile clathrate","","- C12.33 H10.5 N0.17 O2 -","- C12.3333 H10.5 N0.166667 O2 -","- C222 H189 N3 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","","neutron","","0.0874","0.0532","","","0.0925","0.0979","","","","","","1.344","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510846","29.0154","0.0018","29.0154","0.0018","5.8446","0.0018","90","","90","","120","","4261.3","1.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol methanol clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1413","0.0727","","","","0.1534","","","","","","1.071","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510847","28.995","0.0013","28.995","0.0013","5.945","0.0003","90","","90","","120","","4328.4","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol acetone clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.0634","0.0503","","","","0.1417","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4511053","53.599","0.002","53.599","0.002","11.0015","0.0009","90","","90","","120","","27371","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C74.67 H90.67 N2.67 O8 -","- C74 H88 N2 O8 -","- C1332 H1584 N36 O144 -","18","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Co-crystallization of Ionic and Neutral Supramolecular Motifs Derived from Identical Components","Crystal Growth & Design","2009","9","3","1284","","10.1021/cg8013738","","","0.71073","MoKα","","0.0985","0.0679","","","0.1579","0.171","","","","","","1.021","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511151","18.923","0.0017","18.923","0.0017","25.307","0.002","90","","90","","120","","7847.9","1.2","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H36 Cl2 N18 O8 Zn -","- C24 H36 Cl2 N18 O8 Zn -","- C216 H324 Cl18 N162 O72 Zn9 -","9","0.5","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.7107","MoKα","","0.0584","0.0524","","","0.1541","0.1592","","","","","","1.095","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511264","18.711","0.003","18.711","0.003","10.843","0.002","90","","90","","120","","3287.6","1","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.0997","0.0927","","","0.2186","0.2337","","","","","","1.015","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511382","26.535","0.005","26.535","0.005","20.282","0.005","90","0.005","90","0.005","120","0.005","12367","5","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H228 I2 N12 O30 Sn6 -","- C120 H228 I2 N12 O30 Sn6 -","- C360 H684 I6 N36 O90 Sn18 -","3","0.166667","","Mohapatra, Chandrajeet; Tripathi, Sarita; Anantharaman, Ganapathi; Chandrasekhar, Vadapalli","A Hexameric Hexagonal Organotin Macrocycle. Supramolecular Entrapment of an Iodide‒Iodide Short Contact","Crystal Growth & Design","2014","14","7","3182","","10.1021/cg500633n","","","0.71073","MoKα","","0.0982","0.081","","","0.2156","0.2342","","","","","","1.032","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511734","12.4305","0.0004","12.4305","0.0004","33.8994","0.0017","90","","90","","120","","4536.3","0.3","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","Cu,Mn-2-mercaptonicotinic acid","","","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C108 H162 Cu18 Mn9 N18 O90 S18 -","3","0.166667","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0495","0.037","","","0.0662","0.0713","","","","","","1.037","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511840","28.707","0.007","28.707","0.007","24.682","0.011","90","","90","","120","","17615","10","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H10 O9 Zn -","- C24 H10 O9 Zn -","- C432 H180 O162 Zn18 -","18","1","","He, Hongming; Sun, Fuxing; Jia, Jiangtao; Bian, Zheng; Zhao, Nian; Qiu, Xuepeng; Gao, Lianxun; Zhu, Guangshan","Fluorescent Dodecapus in 3D Framework","Crystal Growth & Design","2014","14","9","4258","","10.1021/cg501012e","","","0.71073","MoKα","","0.112","0.0555","","","0.1313","0.1482","","","","","","0.875","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511961","45.597","0.006","45.597","0.006","40.718","0.008","90","","90","","120","","73314","2","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C185 H75 In4 N O34 -","- C185 H75 In4 N O34 -","- C1665 H675 In36 N9 O306 -","9","0.5","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.3237","0.0925","","","0.2502","0.3075","","","","","","0.671","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511962","44.1252","0.0008","44.1252","0.0008","42.2961","0.0009","90","","90","","120","","71319","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72.67 H40 In2 O21.83 -","- C72.66 H40 In2 O21.8333 -","- C1307.88 H720 In36 O393 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2075","0.1153","","","0.3365","0.3758","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511963","44.2269","0.0019","44.2269","0.0019","42.519","0.002","90","","90","","120","","72026","6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72 H36 In2 O16 -","- C72 H36 In2 O16 -","- C1296 H648 In36 O288 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2312","0.0608","","","0.1598","0.2055","","","","","","0.869","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4512104","18.3924","0.0004","18.3924","0.0004","20.0627","0.001","90","","90","","120","","5877.6","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H80 Co3 N14 O29 -","- C72 H48 Co3 N12 O18 -","- C216 H144 Co9 N36 O54 -","3","0.166667","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks","Crystal Growth & Design","2014","14","11","5608","","10.1021/cg500871d","","","0.71073","MoKα","","0.0611","0.0437","","","0.1164","0.1231","","","","","","1.008","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512192","17.7586","0.0005","17.7586","0.0005","19.6912","0.0006","90","","90","","120","","5378","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H30 Cu6 Mo12 N24 O40 P -","- C42 H30 Cu6 Mo12 N24 O40 P -","- C126 H90 Cu18 Mo36 N72 O120 P3 -","3","0.166667","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0361","0.0316","","","0.0745","0.0763","","","","","","1.152","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512217","28.409","0.0008","28.409","0.0008","18.2259","0.0011","90","","90","","120","","12738.9","0.9","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Cu3 N7 O8 -","- C17 H12 Cu3 N7 O8 -","- C306 H216 Cu54 N126 O144 -","18","1","","Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju","Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity","Crystal Growth & Design","2014","14","12","6391","","10.1021/cg501226v","","","0.71073","MoKα","","0.1145","0.0675","","","0.1813","0.2054","","","","","","1.113","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512451","32.425","0.005","32.425","0.005","9.34","0.0019","90","","90","","120","","8504","3","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C396 H270 Co9 I3 N54 -","- C396 H270 Co9 I2.97 N54 -","- C396 H270 Co9 I2.97 N54 -","1","0.0555556","","Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong","Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal","Crystal Growth & Design","2014","","","141201145535002","","10.1021/cg501324r","","","0.71073","MoKα","","0.1792","0.0649","","","0.1424","0.1729","","","","","","0.854","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512452","32.721","0.005","32.721","0.005","9.316","0.0019","90","","90","","120","","8638","3","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C132.5 H90 Co3 N18 O -","- C132.5 H90 Co3 N18 O -","- C397.5 H270 Co9 N54 O3 -","3","0.166667","","Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong","Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal","Crystal Growth & Design","2014","","","141201145535002","","10.1021/cg501324r","","","0.71073","MoKα","","0.0651","0.0458","","","0.1194","0.1282","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512453","32.6467","0.0011","32.6467","0.0011","9.2525","0.0004","90","","90","","120","","8540.2","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H30 Co N6 -","- C44 H30 Co N6 -","- C396 H270 Co9 N54 -","9","0.5","","Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong","Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal","Crystal Growth & Design","2014","","","141201145535002","","10.1021/cg501324r","","","1.54178","CuKα","","0.0877","0.0495","","","0.0851","0.0982","","","","","","1.025","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512516","31.103","0.003","31.103","0.003","9.4729","0.0012","90","","90","","120","","7936.3","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H21 Cl Co N2 Si -","- C14 H21 Cl Co N2 Si -","- C252 H378 Cl18 Co18 N36 Si18 -","18","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0431","0.0374","","","0.0901","0.0943","","","","","","1.04","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512538","40.979","0.004","40.979","0.004","16.064","0.003","90","","90","","120","","23362","5","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25.75 H22.75 Cu2 I N5.25 O5.25 -","- C25.75 H22.75 Cu2 I N5.25 O5.25 -","- C463.5 H409.5 Cu36 I18 N94.5 O94.5 -","18","1","","Wang, Jing; Luo, Jiahuan; Luo, Xiaolong; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of a Three-Dimensional Metal‒Organic Framework with Copper(I) Iodide and 4-(Pyrimidin-5-yl) Benzoic Acid: Controlled Uptake and Release of Iodine","Crystal Growth & Design","2015","15","2","915","","10.1021/cg501730q","","","0.71073","MoKα","","0.1321","0.0643","","","0.1602","0.1951","","","","","","0.974","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512864","19.281","0.0003","19.281","0.0003","25.7179","0.0009","90","","90","","120","","8279.9","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H10 Cd N8 O4 -","- C18 H10 Cd N8 O4 -","- C162 H90 Cd9 N72 O36 -","9","0.5","","He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan","Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","4","2033","","10.1021/acs.cgd.5b00229","","","0.71073","MoKα","","0.079","0.0699","","","0.231","0.245","","","","","","1.144","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512865","19.2692","0.0003","19.2692","0.0003","24.45","0.0007","90","","90","","120","","7862.1","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H10 Cu N8 O4 -","- C18 H10 Cu N8 O4 -","- C162 H90 Cu9 N72 O36 -","9","0.5","","He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan","Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","4","2033","","10.1021/acs.cgd.5b00229","","","0.71073","MoKα","","0.0992","0.091","","","0.2763","0.2915","","","","","","1.286","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4513074","34.675","0.003","34.675","0.003","4.095","0.0004","90","","90","","120","","4264","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H7 N S2 -","- C9 H7 N S2 -","- C162 H126 N18 S36 -","18","1","","Carletta, Andrea; Meinguet, Céline; Wouters, Johan; Tilborg, Anaëlle","Solid-State Investigation of Polymorphism and Tautomerism of Phenylthiazole-thione: A Combined Crystallographic, Calorimetric, and Theoretical Survey","Crystal Growth & Design","2015","15","5","2461","","10.1021/acs.cgd.5b00237","","","0.71073","MoKα","","0.0637","0.046","","","0.1282","0.1408","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513767","21.5542","0.001","21.5542","0.001","26.557","0.003","90","","90","","120","","10685","1.4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23 H31 Cl N3 Rh -","- C23 H31 Cl N3 Rh -","- C414 H558 Cl18 N54 Rh18 -","18","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0498","0.0379","","","0.0838","0.0887","","","","","","1.095","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4514450","25.588","0.004","25.588","0.004","6.887","0.0014","90","","90","","120","","3905.1","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H6 Co6 I5.7 O18 -","- C24 H6 Co6 I5.784 O18 -","- C72 H18 Co18 I17.352 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.2881","0.1665","","","0.3126","0.355","","","","","","1.023","","","","has coordinates,has disorder","219639","2020-10-21","18:00:00",""
"4514452","26.037","0.004","26.037","0.004","6.699","0.0013","90","","90","","120","","3933","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H6 Co6 I1.35 O18 -","- C24 H6 Co6 I1.644 O18 -","- C72 H18 Co18 I4.932 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.0769","0.075","","","0.1927","0.1937","","","","","","1.044","","","","has coordinates","219641","2020-10-21","18:00:00",""
"4514544","26.133","0.004","26.133","0.004","6.639","0.0013","90","","90","","120","","3926.6","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Co O5 -","- C6 H9 Co O5 -","- C108 H162 Co18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0276","0.0268","","","0.0747","0.0752","","","","","","1.054","","","","has coordinates","219729","2020-10-21","18:00:00",""
"4514545","25.839","0.004","25.839","0.004","6.893","0.0014","90","","90","","120","","3985.6","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.6 H Mg O6.2 -","- C5.6 H Mg O6.2 -","- C100.8 H18 Mg18 O111.6 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1166","0.1063","","","0.2581","0.2752","","","","","","1.193","","","","has coordinates","219730","2020-10-21","18:00:00",""
"4514546","25.88","0.004","25.88","0.004","6.695","0.0013","90","","90","","120","","3883.4","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.84 H Ni O6.68 -","- C5.84 H Ni O6.68 -","- C105.12 H18 Ni18 O120.24 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1233","0.1007","","","0.2583","0.2797","","","","","","1.165","","","","has coordinates","219731","2020-10-21","18:00:00",""
"4514547","25.844","0.004","25.844","0.004","6.871","0.0014","90","","90","","120","","3974.4","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.56 H Co O4.56 -","- C5.56 H Co O4.56 -","- C100.08 H18 Co18 O82.08 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0636","0.0604","","","0.1629","0.1676","","","","","","1.051","","","","has coordinates","219732","2020-10-21","18:00:00",""
"4514548","25.897","0.004","25.897","0.004","6.839","0.0014","90","","90","","120","","3972.1","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.67 H Co O6.34 -","- C5.67 H Co O6.34 -","- C102.06 H18 Co18 O114.12 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0466","0.0452","","","0.1386","0.1403","","","","","","1.089","","","","has coordinates","219733","2020-10-21","18:00:00",""
"4514549","26.07","0.004","26.07","0.004","13.521","0.003","90","","90","","120","","7958","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Co2 O12.33 -","- C14 H20 Co2 O12.1666 -","- C252 H360 Co36 O218.999 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0634","0.0581","","","0.1566","0.1637","","","","","","1.108","","","","has coordinates,has disorder","219734","2020-10-21","18:00:00",""
"4514550","25.871","0.004","25.871","0.004","13.5","0.003","90","","90","","120","","7825","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Ni2 O12.17 -","- C14 H20 Ni2 O12.1667 -","- C252 H360 Ni36 O219 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1094","0.0973","","","0.2932","0.3197","","","","","","1.247","","","","has coordinates","219735","2020-10-21","18:00:00",""
"4514551","25.899","0.004","25.899","0.004","6.635","0.0013","90","","90","","120","","3854.2","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Ni O5 -","- C6 H9 Ni O5 -","- C108 H162 Ni18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0586","0.0564","","","0.1775","0.1812","","","","","","1.13","","","","has coordinates","219736","2020-10-21","18:00:00",""
"4514552","26.023","0.004","26.023","0.004","6.6525","0.0013","90","","90","","120","","3901.5","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Mg O5 -","- C6 H9 Mg O5 -","- C108 H162 Mg18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0617","0.0598","","","0.1639","0.1654","","","","","","1.103","","","","has coordinates","219737","2020-10-21","18:00:00",""
"4514553","25.822","0.004","25.822","0.004","6.935","0.0014","90","","90","","120","","4004.6","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.56 H Mg O4.56 -","- C5.562 H Mg O4.562 -","- C100.116 H18 Mg18 O82.116 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0499","0.0482","","","0.1431","0.1472","","","","","","0.838","","","","has coordinates","219738","2020-10-21","18:00:00",""
"4514554","25.951","0.004","25.951","0.004","13.632","0.003","90","","90","","120","","7951","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Mg2 O12.33 -","- C14 H20 Mg2 O12.1666 -","- C252 H360 Mg36 O218.999 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.091","0.0838","","","0.2288","0.2386","","","","","","1.038","","","","has coordinates,has disorder","219739","2020-10-21","18:00:00",""
"4514555","26.15","0.004","26.15","0.004","6.721","0.0013","90","","90","","120","","3980.2","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.98 H Ni O4.98 -","- C5.98 H Ni O4.98 -","- C107.64 H18 Ni18 O89.64 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0701","0.0656","","","0.1969","0.2081","","","","","","1.078","","","","has coordinates","219740","2020-10-21","18:00:00",""
"4515203","27.424","0.005","27.424","0.005","57.155","0.01","90","","90","","120","","37226","12","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C192.63 H181.27 Ag29 Na3 O22.5 P3.29 S24 -","- C192.81 H169.425 Ag29 Na3 O22.5 P3.295 S24 -","- C1156.86 H1016.55 Ag174 Na18 O135 P19.77 S144 -","6","0.333333","","Chakraborty, Papri; Nag, Abhijit; Sugi, Korath Shivan; Ahuja, Tripti; Varghese, Babu; Pradeep, Thalappil","Crystallization of a Supramolecular Coassembly of an Atomically Precise Nanoparticle with a Crown Ether","ACS Materials Letters","2019","","","534","","10.1021/acsmaterialslett.9b00352","","","0.71073","MoKα","","0.1834","0.1136","","","0.3261","0.3989","","","","","","1.412","","","","has coordinates,has disorder","220306","2020-10-21","18:00:00",""
"4515299","25","0.005","25","0.005","33.342","0.005","90","0.005","90","0.005","120","0.005","18047","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H46 Cu6 N42 O64 P2 W18 -","- C60 H42 Cu6 N42 O62 P2 W18 -","- C360 H252 Cu36 N252 O372 P12 W108 -","6","0.333333","","Zhang, Li; Li, Shaobin; Gómez-García, Carlos J; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Bonan","Two Novel Polyoxometalate-Encapsulated Metal-Organic Nanotube Frameworks as Stable and Highly Efficient Electrocatalysts for Hydrogen Evolution Reaction.","ACS applied materials & interfaces","2018","10","37","31498","31504","10.1021/acsami.8b10447","","","0.71069","MoKα","","0.053","0.0366","","","0.0864","0.0928","","","","","","0.898","","","","has coordinates","225465","2020-10-21","18:00:00",""
"4515300","24.991","0.005","24.991","0.005","33.361","0.005","90","0.005","90","0.005","120","0.005","18044","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H46 As2 Cu6 N42 O64 W18 -","- C60 H42 As2 Cu6 N42 O62 W18 -","- C360 H252 As12 Cu36 N252 O372 W108 -","6","0.333333","","Zhang, Li; Li, Shaobin; Gómez-García, Carlos J; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Bonan","Two Novel Polyoxometalate-Encapsulated Metal-Organic Nanotube Frameworks as Stable and Highly Efficient Electrocatalysts for Hydrogen Evolution Reaction.","ACS applied materials & interfaces","2018","10","37","31498","31504","10.1021/acsami.8b10447","","","0.71069","MoKα","","0.1425","0.0693","","","0.1837","0.2343","","","","","","0.944","","","","has coordinates","225467","2020-10-21","18:00:00",""
"4515362","59.93","0.002","59.93","0.002","6.7458","0.0002","90","","90","","120","","20982.3","1.2","296","","296","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H36 Cd N2 O15 -","- C34 H26 Cd N2 O10 -","- C612 H468 Cd18 N36 O180 -","18","1","","Yang, Xiao-Dong; Chen, Ming; Zhu, Rui; Zhang, Jie; Chen, Banglin","Robust Nanoporous Supramolecular Network Through Charge-Transfer Interaction.","ACS applied materials & interfaces","2018","10","50","43987","43992","10.1021/acsami.8b14316","","","0.71073","MoKα","","0.0641","0.0394","","","0.0752","0.0852","","","","","","0.953","","","","has coordinates","225515","2020-10-21","18:00:00",""
"4515413","36.542","0.016","36.542","0.016","4.623","0.003","90","","90","","120","","5346","5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C234 H216 N36 O36 -","18","1","","Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng","Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.","ACS applied materials & interfaces","2018","10","49","42740","42746","10.1021/acsami.8b16294","","","0.71073","MoKα","","0.1193","0.1016","","","0.187","0.1944","","","","","","1.274","","","","has coordinates","225567","2020-10-21","18:00:00",""
"4515488","26.5472","0.0011","26.5472","","38.495","0.0018","90","","90","","120","","23494.8","1.5","150","2","150","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C56 H34 F16 Ir N4 P -","- C56 H34 F16 Ir N4 P -","- C1008 H612 F288 Ir18 N72 P18 -","18","1","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.0923","0.0714","","","0.1759","0.19","","","","","","1.04","","","","has coordinates","225643","2020-10-21","18:00:00",""
"4515730","37.5012","0.0005","37.5012","0.0005","11.98047","0.00016","90","","90","","120","","14591.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H31 Mn N2 O2 P2 -","- C39 H31 Mn N2 O2 P2 -","- C702 H558 Mn18 N36 O36 P36 -","18","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.054","0.0501","","","0.1434","0.1473","","","","","","1.072","","","","has coordinates","225855","2020-10-21","18:00:00",""
"4515804","32.8492","0.0013","32.8492","0.0013","20.7376","0.0009","90","","90","","120","","19379.3","1.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.4 H45 Cl2 N2 O2.2 W -","- C52 H44 Cl2 N2 O2 W -","- C936 H792 Cl36 N36 O36 W18 -","18","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0752","0.0414","","","0.0761","0.084","","","","","","0.965","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515951","14.414","0.002","14.414","0.002","24.558","0.004","90","","90","","120","","4418.7","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H60 N2 O7 Si2 -","- C54 H60 N2 O7 Si2 -","- C162 H180 N6 O21 Si6 -","3","0.166667","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0452","0.0424","","","0.1153","0.1175","","","","","","1.056","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515962","51.797","0.003","51.797","0.003","6.5592","0.0004","90","","90","","120","","15240.2","1.6","153","2","153","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C828 H612 O36 -","18","1","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.0644","0.0522","","","0.1448","0.1545","","","","","","1.076","","","","has coordinates","226026","2020-10-21","18:00:00",""
"4516243","19.35","0.003","19.35","0.003","38.469","0.014","90","","90","","120","","12474","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H47 O0.33 P -","- C31 H47 O0.166667 P -","- C558 H846 O3 P18 -","18","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1755","0.0613","","","0.1472","0.2476","","","","","","0.973","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516400","29.9603","0.0012","29.9603","0.0012","14.0693","0.0011","90","","90","","120","","10936.9","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C468 H342 N18 O72 -","18","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0614","0.047","","","0.1287","0.1362","","","","","","1.011","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516408","36.166","0.002","36.166","0.002","9.4155","0.0011","90","","90","","120","","10665.3","1.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H23 N O2 -","- C33 H23 N O2 -","- C594 H414 N18 O36 -","18","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.1057","0.0434","","","0.0587","0.0695","","","","","","0.794","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516412","20.0486","0.0004","20.0486","0.0004","71.773","0.0017","90","","90","","120","","24983.9","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H296 Cu20 In32 N64 S78 -","- C54 Cu20 In32 N36 S78 -","- C162 Cu60 In96 N108 S234 -","3","0.166667","","Zhao, Xiao-Wei; Qian, Li-Wen; Su, Hu-Chao; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","Co-assembled T4-Cu4In16S35 and Cubic Cu12S8 Clusters: A Crystal Precursor for Near-Infrared Absorption Material","Crystal Growth & Design","2015","15","12","5749","","10.1021/acs.cgd.5b00960","","","0.71073","MoKα","","0.1148","0.0751","","","0.1604","0.1754","","","","","","1.091","","","","has coordinates","231292","2020-10-21","18:00:00",""
"4516440","14.2597","0.0007","14.2597","0.0007","31.7534","0.0016","90","","90","","120","","5591.7","0.5","296","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Cu6 I11 K Mn2 N12 -","- C60 H48 Cu6 I11 K0.999 Mn2 N12 -","- C180 H144 Cu18 I33 K2.997 Mn6 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0405","0.0371","","","0.0933","0.0958","","","","","","1.028","","","","has coordinates","231319","2020-10-21","18:00:00",""
"4516646","22.3712","0.0002","22.3712","0.0002","95.1715","0.0016","90","","90","","120","","41249.3","0.9","386","2","386","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H28 N10 Ni3 O18 -","- C45 H28 N10 Ni3 O18 -","- C810 H504 N180 Ni54 O324 -","18","1","","Yu, Mei-Hui; Zhang, Ping; Feng, Rui; Yao, Zhao-Quan; Yu, Yi-Chen; Hu, Tong-Liang; Bu, Xian-He","Construction of a Multi-Cage-Based MOF with a Unique Network for Efficient CO<sub>2</sub> Capture.","ACS applied materials & interfaces","2017","9","31","26177","26183","10.1021/acsami.7b06491","","","0.71073","MoKα","","0.0568","0.048","","","0.1364","0.1433","","","","","","1.079","","","","has coordinates","239423","2020-10-21","18:00:00",""
"4516653","23.201","0.003","23.201","0.003","21.302","0.004","90","","90","","120","","9930","3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C78 H84 N4 -","- C78 H84 N4 -","- C468 H504 N24 -","6","0.333333","","Song, Xiaozeng; Zhang, Dongdong; Li, Haoyuan; Cai, Minghan; Huang, Tianyu; Duan, Lian","Exciplex System with Increased Donor-Acceptor Distance as the Sensitizing Host for Conventional Fluorescent OLEDs with High Efficiency and Extremely Low Roll-Off.","ACS applied materials & interfaces","2019","11","25","22595","22602","10.1021/acsami.9b05963","","","0.71073","MoKα","","0.1144","0.1075","","","0.2998","0.3111","","","","","","1.242","","","","has coordinates,has disorder","239430","2020-10-21","18:00:00",""
"4516742","15.598","0.007","15.598","0.007","59.01","0.02","90","","90","","120","","12434","9","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H60 Cu3 N8 O15 -","- C78 H60 Cu3 N8 O15 -","- C468 H360 Cu18 N48 O90 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0589","0.0498","","","0.1354","0.1413","","","","","","1.051","","","","has coordinates","239501","2020-10-21","18:00:00",""
"4516743","15.7439","0.001","15.7439","0.001","61.146","0.004","90","","90","","120","","13125.7","1.5","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H66 Co3 N8 O18 -","- C78 H66 Co3 N8 O18 -","- C468 H396 Co18 N48 O108 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0478","0.0407","","","0.1224","0.1299","","","","","","1.059","","","","has coordinates","239502","2020-10-21","18:00:00",""
"4516744","15.7128","0.001","15.7128","0.001","60.539","0.004","90","","90","","120","","12944.1","1.4","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","1","0.0555556","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.06","0.0476","","","0.1422","0.1511","","","","","","1.06","","","","has coordinates","239503","2020-10-21","18:00:00",""
"4516882","33.259","0.003","33.259","0.003","15.5227","0.0018","90","","90","","120","","14870","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C34 H34 N4 O2 -","- C34 H34 N4 O2 -","- C612 H612 N72 O36 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.0729","0.0529","","","0.1308","0.1406","","","","","","1.055","","","","has coordinates,has disorder","239610","2020-10-21","18:00:00",""
"4516885","42.788","0.003","42.788","0.003","7.4202","0.0006","90","","90","","120","","11765","1.5","100","2","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C414 H360 N36 O72 -","18","1","","Zhai, Feng; Jordan, Richard F.","Autoxidation of Heterocyclic Aminals.","ACS omega","2017","2","6","3055","3063","10.1021/acsomega.7b00589","","","0.71073","MoKα","","0.089","0.0504","","","0.126","0.14","","","","","","1.058","","","","has coordinates","239613","2020-10-21","18:00:00",""
"4517645","25.7273","0.0012","25.7273","0.0012","25.9151","0.001","90","","90","","120","","14855","1.1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40.33 H36.67 Cl0.67 N6 -","- C40.33 H36 Cl0.666667 N6 -","- C725.94 H648 Cl12 N108 -","18","1","","Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin","Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02400","","","0.71073","MoKα","","0.1363","0.1035","","","0.2221","0.2372","","","","","","1.164","","","","has coordinates,has disorder","251814","2020-10-21","18:00:00",""
"4517683","40.7308","0.0019","40.7308","0.0019","38.796","0.002","90","","90","","120","","55740","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C360 H210 Mo24 N24 O108 -","- C360 H210 Mo24 N24 O108 -","- C1080 H630 Mo72 N72 O324 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0981","","","0.2619","0.3181","","","","","","1.034","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517685","36.2688","0.0006","36.2688","0.0006","53.74","0.0009","90","","90","","120","","61220.2","1.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C396 H420 Cu24 N54 O162 -","- C396 H420 Cu24 N54 O162 -","- C1188 H1260 Cu72 N162 O486 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.0916","0.0813","","","0.2401","0.2638","","","","","","1.033","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517687","35.7322","0.0016","35.7322","0.0016","53.462","0.003","90","","90","","120","","59115","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Cu24 N36 O138 -","- C336 H324 Cu24 N36 O138 -","- C1008 H972 Cu72 N108 O414 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0995","","","0.2741","0.3082","","","","","","1.142","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517802","14.0504","0.0003","14.0504","0.0003","21.4176","0.0005","90","","90","","120","","3661.67","0.14","120.01","0.19","120.01","0.19","","","","","","","","8","R -3 :H","-R 3","148","","","","- C29.35 H60.48 Ba Br6 Cs N1.78 O13.78 Sb -","- C29.346 H60.474 Ba Br6 Cs N1.782 O13.782 Sb -","- C88.038 H181.422 Ba3 Br18 Cs3 N5.346 O41.346 Sb3 -","3","0.166667","","Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.","Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides","ACS Materials Letters","2020","","","845","852","10.1021/acsmaterialslett.0c00174","","x-ray","0.71073","MoKα","K-L~3~","0.0485","0.0381","","","0.0769","0.0802","","","","","","1.182","","","","has coordinates,has disorder","257090","2020-10-21","18:00:00",""
"4517974","26.8597","0.0003","26.8597","0.0003","14.4115","0.0002","90","","90","","120","","9004.14","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C342 H558 N18 O36 -","18","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0428","0.0366","","","0.0952","0.0985","","","","","","1.073","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4518018","18.595","0.01","18.595","0.01","23.048","0.019","90","","90","","120","","6902","8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C66 H48 N12 Ni -","- C66 H48 N12 Ni -","- C198 H144 N36 Ni3 -","3","0.166667","","Dutta, Subhajit; Samanta, Partha; Joarder, Biplab; Let, Sumanta; Mahato, Debanjan; Babarao, Ravichandar; Ghosh, Sujit K.","A Water-Stable Cationic Metal-Organic Framework with Hydrophobic Pore Surfaces as an Efficient Scavenger of Oxo-Anion Pollutants from Water.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c13563","","","0.71073","MoKα","","0.217","0.133","","","0.3093","0.3549","","","","","","1.213","","","","has coordinates","255929","2020-10-21","18:00:00",""
"4518366","20.5548","0.0008","20.5548","0.0008","9.9189","0.0005","90","","90","","120","","3629.3","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0805","0.0481","","","0.0944","0.11","","","","","","1.057","","","","has coordinates","260234","2020-12-30","22:17:26",""
"4518369","20.5511","0.0006","20.5511","0.0006","9.9216","0.0004","90","","90","","120","","3629","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0846","0.0495","","","0.101","0.1196","","","","","","1.023","","","","has coordinates","260237","2020-12-30","22:18:43",""
"4518374","20.4084","0.0017","20.4084","0.0017","9.0747","0.0009","90","","90","","120","","3273.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.043","0.0361","","","0.0937","0.0996","","","","","","1.06","","","","has coordinates","260242","2020-12-30","22:21:10",""
"4518376","20.5592","0.0006","20.5592","0.0006","9.9136","0.0003","90","","90","","120","","3628.9","0.19","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C54 H54 S6 -","- C54 H54 S6 -","- C162 H162 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0883","0.0564","","","0.0978","0.112","","","","","","1.085","","","","has coordinates","260244","2020-12-30","22:22:00",""
"4518377","20.4163","0.0004","20.4163","0.0004","9.0788","0.0002","90","","90","","120","","3277.28","0.12","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0291","0.0283","","","0.0741","0.0747","","","","","","1.105","","","","has coordinates","260245","2020-12-30","22:22:25",""
"4518379","20.414","0.0006","20.414","0.0006","9.0652","0.0003","90","","90","","120","","3271.63","0.17","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H42 O6 S6 -","- C48 H42 O6 S6 -","- C144 H126 O18 S18 -","3","0.166667","","Wu, Hongwei; Baryshnikov, Glib V.; Kuklin, Artem; Minaev, Boris F.; Wu, Bin; Gu, Long; Zhu, Liangliang; Ågren, Hans; Zhao, Yanli","Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c16338","","","0.71073","MoKα","","0.0593","0.0411","","","0.0882","0.0973","","","","","","1.069","","","","has coordinates","260247","2020-12-30","22:23:21",""
"4518534","38.486","0.006","38.486","0.006","11.122","0.003","90","","90","","120","","14267","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H62 O61 Sm8 -","- C138 H62.0004 O61.0002 Sm7.9998 -","- C414 H186.001 O183.001 Sm23.9994 -","3","0.166667","","Zhang, Gang-Qiang; Gao, Lou-Jun; Chai, Hong-Mei; Ren, Yi-Xia","Novel Multifunctional Samarium-Organic Framework for Fluorescence Sensing of Ag<sup>+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cimetidine and Electrochemical Sensing of <i>o</i>-Nitrophenol in Aqueous Solutions.","ACS omega","2021","6","10","6810","6816","10.1021/acsomega.0c05867","","","0.71073","MoKα","","0.0693","0.0661","","","0.1555","0.1574","","","","","","1.127","","","","has coordinates,has disorder","263586","2021-04-04","09:59:08",""
"4519017","29.5302","0.0009","29.5302","0.0009","51.3571","0.0012","90","","90","","120","","38785","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H0 Co4 N0 O20 -","- C38 Co4 O20 -","- C684 Co72 O360 -","18","1","","Ji, Chunqing; Liu, Shanshan; Su, Kongzhao; El-Sayed, El-Sayed M.; Liu, Heyuan; Wang, Wenjing; Qiu, Fenglei; Li, Xiyou; Yuan, Daqiang","Pyrogallol[4]arene Coordination Nanocapsule Micelle as Bioinspired Water Reduction Catalyst","ACS Materials Letters","2021","","","1315","1320","10.1021/acsmaterialslett.1c00362","","","1.54184","CuKα","","0.1693","0.0897","","","0.259","0.3065","","","","","","0.95","","","","has coordinates","268442","2021-09-03","20:45:38",""
"4519121","7.5963","0.0003","7.5963","0.0003","9.8056","0.0004","90","","90","","120","","490.01","0.03","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- F6 H4 Ir Na3 O2 -","- F6 Ir Na3 O2 -","- F18 Ir3 Na9 O6 -","3","0.166667","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0126","0.0126","","","0.0316","0.0316","","","","","","1.165","","","","has coordinates","270261","2021-11-03","21:20:39",""
"4519207","31.8746","0.0014","31.8746","0.0014","8.8989","0.0004","90","","90","","120","","7829.9","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H10 Ca N5 O3 -","- C9 H10 Ca N5 O3 -","- C162 H180 Ca18 N90 O54 -","18","1","","Wang, Gang-Ding; Li, Yong-Zhi; Zhang, Wan-Fang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Acetylene Separation by a Ca-MOF Containing Accessible Sites of Open Metal Centers and Organic Groups.","ACS applied materials & interfaces","2021","13","49","58862","58870","10.1021/acsami.1c20533","","","0.71073","MoKα","","0.1028","0.0955","","","0.2064","0.2092","","","","","","1.031","","","","has coordinates","271703","2022-01-03","20:15:51",""
"6000108","8.7071","0.0013","8.7071","0.0013","22.47","0.004","90","","90","","120","","1703.49","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- O12 S3 Sc2 -","- O12 S3 Sc2 -","- O72 S18 Sc12 -","6","0.333333","","Wickleder, M. S.","Anhydrous sulfates of rare earth elements: Syntheses and crystal structures of Y-2(SO4)(3) and Sc-2(SO4)(3)","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","1468","1472","10.1002/(SICI)1521-3749(200006)626:6<1468::AID-ZAAC1468>3.0.CO;2-M","","","","","","","","","","","","","","","","","","","","","has coordinates","203335","2020-10-21","18:00:00",""
"7000195","20.265","0.001","20.265","0.001","14.211","0.001","90","","90","","120","","5054.2","0.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H36.67 N4 Ni O6.33 V2 -","- C16 H36 N4 Ni O6.33333 V2 -","- C144 H324 N36 Ni9 O57 V18 -","9","0.5","","Ou, Guang-Chuan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Vanadium polyoxoanion-bridged macrocyclic metal complexes: from one-dimensional to three-dimensional structures","Dalton Transactions","2009","","1","71","76","10.1039/b810802a","","","0.71073","MoKα","","0.0526","0.0341","","","0.0816","0.0853","","","","","","0.942","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000196","26.829","0.003","26.829","0.003","8.864","0.002","90","","90","","120","","5525.5","1.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H36.67 Cu N4 O6.33 V2 -","- C16 H36 Cu N4 O6.33333 V2 -","- C144 H324 Cu9 N36 O57 V18 -","9","0.5","","Ou, Guang-Chuan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Vanadium polyoxoanion-bridged macrocyclic metal complexes: from one-dimensional to three-dimensional structures","Dalton Transactions","2009","","1","71","76","10.1039/b810802a","","","0.71073","MoKα","","0.0567","0.0402","","","0.1247","0.134","","","","","","1.127","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000251","12.0891","0.0001","12.0891","0.0001","34.8231","0.0005","90","","90","","120","","4407.44","0.08","150","2","150","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","Chisholm 1604","","","- C24 H40 B I N6 O3 Zn -","- C24 H40 B I N6 O3 Zn -","- C144 H240 B6 I6 N36 O18 Zn6 -","6","0.333333","","Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah","Synthesis and coordination chemistry of TpC*MI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC* = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate","Dalton Transactions","2009","","2","368","374","10.1039/b812228h","","x-ray","0.71073","MoKα","","0.0446","0.0317","","","0.0757","0.0798","","","","","","1.07","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000289","23.3386","0.0009","23.3386","0.0009","28.0412","0.0007","90","","90","","120","","13227.5","0.8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C28 H32 Cl0.83333 Cu F N3 O6.33333 P0.1666 -","- C28 H32 Cl0.833367 Cu F N3 O6.33367 P0.166667 -","- C504 H576 Cl15.0006 Cu18 F18 N54 O114.006 P3 -","18","1","","Lee, Young Hoon; Harrowfield, Jack M.; Kim, Jong Seung; Kim, Yang; Lee, Min Hee; Lim, Woo Taik; Park, Yu Cheol; Thuéry, Pierre","Functionalised azetidines as ligands: species derived by selective alkylation at substituent-nitrogen","Dalton Transactions","2009","","3","443","454","10.1039/b812298a","","","0.71073","MoKα","","0.0794","0.0593","","","0.1732","0.1853","","","","","","1.036","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000324","27.6972","0.0015","27.6972","0.0015","19.8549","0.0016","90","","90","","120","","13190.8","1.5","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C66 H72 B6 Cu6 F24 N18 O3 -","- C66 H66 B5.98 Cu6 F23.94 N18 O3.003 -","- C396 H396 B35.88 Cu36 F143.64 N108 O18.018 -","6","0.333333","","Maekawa, Masahiko; Nabei, Atsuhiro; Tominaga, Toshi; Sugimoto, Kunihisa; Minematsu, Toshie; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","A unique chair-shaped hexanuclear Cu(I) metallamacrocyclic C2H4 adduct encapsulating a BF4− anion","Dalton Transactions","2009","","3","415","417","10.1039/b812337c","","","0.7107","MoKα","","0.15","0.1063","","","0.3126","0.3483","","","","","","1.895","","","","has coordinates","209588","2020-10-21","18:00:00",""
"7000447","25.904","0.003","25.904","0.003","7.2277","0.0015","90","","90","","120","","4200.1","1.1","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H7 Cu I S -","- C8 H7 Cu I S -","- C144 H126 Cu18 I18 S18 -","18","1","","Knorr, Michael; Guyon, Fabrice; Khatyr, Abderrahim; Däschlein, Christian; Strohmann, Carsten; Aly, Shawkat M.; Abd-El-Aziz, Alaa S.; Fortin, Daniel; Harvey, Pierre D.","Rigidity effect of the dithioether spacer on the size of the luminescent cluster (Cu2I2)n (n = 2, 3) in their coordination polymers","Dalton Transactions","2009","","6","948","955","10.1039/b816987j","","","0.71073","MoKα","","0.026","0.0229","","","0.0499","0.0515","","","","","","1.081","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000624","11.3913","0.0006","11.3913","0.0006","19.6535","0.0014","90","","90","","120","","2208.6","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Fe N3 O15 S6 -","- C12 H36 Fe N3 O15.006 S6 -","- C36 H108 Fe3 N9 O45.018 S18 -","3","0.166667","","Solano-Peralta, Alejandro; Saucedo-Vázquez, Juan P.; Escudero, Roberto; Höpfl, Herbert; El-Mkami, Hassane; Smith, Graham M.; Sosa-Torres, Martha E.","Magnetic and high-frequency EPR studies of an octahedral Fe(iii) compound with unusual zero-field splitting parameters","Dalton Transactions","2009","","9","1668","1674","10.1039/b814225d","","","0.71073","MoKα","","0.0306","0.0302","","","0.0795","0.0798","","","","","","1.049","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000891","15.2724","0.0019","15.2724","0.0019","13.854","0.004","90","","90","","120","","2798.5","0.9","393","2","393","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H30 Co2 O6 P2 -","- C42 H30 Co2 O6 P2 -","- C126 H90 Co6 O18 P6 -","3","0.166667","","Godard, Cyril; Duckett, Simon B.; Polas, Stacey; Tooze, Robert; Whitwood, Adrian C.","An NMR study of cobalt-catalyzed hydroformylation using para-hydrogen induced polarisation","Dalton Transactions","2009","","14","2496","2509","10.1039/b815853c","","","0.71073","MoKα","","0.0261","0.0242","","","0.0671","0.0679","","","","","","1.11","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7000984","10.1432","0.0014","10.1432","0.0014","20.668","0.004","90","","90","","120","","1841.5","0.5","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- B12 Cl12 Cs2 O2 S -","- B12 Cl12 Cs2 O2 S1.02 -","- B36 Cl36 Cs6 O6 S3.06 -","3","0.166667","","Geis, Vanessa; Guttsche, Kristin; Knapp, Carsten; Scherer, Harald; Uzun, Rabiya","Synthesis and characterization of synthetically useful salts of the weakly-coordinating dianion [B12Cl12]2−","Dalton Transactions","2009","","15","2687","2694","10.1039/b821030f","","","0.71073","MoKα","","0.0409","0.0346","","","0.0703","0.0721","","","","","","1.253","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001553","15.2155","0.0014","15.2155","0.0014","50.767","0.006","90","","90","","120","","10178.5","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H81 N3 Sb4 Ti3 -","- C72 H81 N3 Sb4 Ti3 -","- C432 H486 N18 Sb24 Ti18 -","6","0.333333","","Breunig, Hans J.; Lork, Enno; Moldovan, Ovidiu; Raţ, Ciprian I.; Rosenthal, Uwe; Silvestru, Cristian","Polynuclear titanocene complexes with antimony ligands: [(Cp2Ti)2(SbR2)2] (R = Et), [(Cp2Ti)3(SbR)3Sb] [R = 2-(Me2NCH2)C6H4] and [(Cp2Ti)5(SbR)2Sb7] (R = Me3SiCH2)","Dalton Transactions","2009","","26","5065","5067","10.1039/b904846d","","","0.71073","MoKα","","0.0528","0.041","","","0.0946","0.0993","","","","","","1.027","","","","has coordinates,has disorder","179713","2020-10-21","18:00:00",""
"7001598","32.27","0.005","32.27","0.005","21.161","0.004","90","","90","","120","","19084","6","140","2","140","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C168 H174 N66 Ni9 O18 W6 -","- C168 H156 N66 Ni9 O18 W6 -","- C504 H468 N198 Ni27 O54 W18 -","3","0.166667","","Hilfiger, Matthew G.; Zhao, Hanhua; Prosvirin, Andrey; Wernsdorfer, Wolfgang; Dunbar, Kim R.","Molecules based on M(v) (M = Mo, W) and Ni(ii) ions: a new class of trigonal bipyramidal cluster and confirmation of SMM behavior for the pentadecanuclear molecule {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[μ-CN]30[WV(CN)3]6}","Dalton Transactions","2009","","26","5155","5163","10.1039/b903691a","","","0.71073","MoKα","","0.2077","0.0915","","","0.2516","0.3493","","","","","","1.003","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7001599","32.214","0.005","32.214","0.005","21.074","0.004","90","","90","","120","","18939","5","140","2","140","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C168 H171 Mo6 N66 Ni9 O18 -","- C168 H156 Mo6 N66 Ni9 O18 -","- C504 H468 Mo18 N198 Ni27 O54 -","3","0.166667","","Hilfiger, Matthew G.; Zhao, Hanhua; Prosvirin, Andrey; Wernsdorfer, Wolfgang; Dunbar, Kim R.","Molecules based on M(v) (M = Mo, W) and Ni(ii) ions: a new class of trigonal bipyramidal cluster and confirmation of SMM behavior for the pentadecanuclear molecule {NiII[NiII(tmphen)(MeOH)]6[Ni(H2O)3]2[μ-CN]30[WV(CN)3]6}","Dalton Transactions","2009","","26","5155","5163","10.1039/b903691a","","","0.71073","MoKα","","0.2684","0.1192","","","0.3394","0.4215","","","","","","1.129","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7001613","14.286","0.002","14.286","0.002","34.534","0.007","90","","90","","120","","6103.8","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H92 Cl2 Co7 N12 O48 -","- C60 H84 Cl2 Co7 N12 O48 -","- C180 H252 Cl6 Co21 N36 O144 -","3","0.166667","","Chen, Zilu; Li, Yan; Jiang, Chunfang; Liang, Fupei; Song, You","Metal complexes with N-(2-pyridylmethyl)iminodiacetate: from discrete polynuclear compounds to 1D coordination polymers","Dalton Transactions","2009","","27","5290","5299","10.1039/b902674f","","","0.71073","MoKα","","0.0514","0.0502","","","0.1382","0.1395","","","","","","1.053","","","","has coordinates,has disorder","179714","2020-10-21","18:00:00",""
"7001666","12.5915","0.0007","12.5915","0.0007","30.877","0.0014","90","","90","","120","","4239.6","0.4","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H39 N13 Si9 -","- C9 H39 N13 Si9 -","- C54 H234 N78 Si54 -","6","0.333333","","Wiltzsch, Conny; Wagler, Jörg; Roewer, Gerhard; Kroke, Edwin","Sol‒gel analogous aminolysis‒ammonolysis of chlorosilanes to chlorine-free Si/(C)/N‒materials","Dalton Transactions","2009","","28","5474","5477","10.1039/b823030g","","","0.71073","MoKα","","0.0518","0.0481","","","0.1126","0.114","","","","","","1.218","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001883","33.495","0.002","33.495","0.002","5.1499","0.0003","90","","90","","120","","5003.7","0.5","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H20 N2 O2 -","- C30 H20 N2 O2 -","- C270 H180 N18 O18 -","9","0.5","","Constable, Edwin C.; Redondo, Ana Hernandez; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Copper(i) complexes of 6,6′-disubstituted 2,2′-bipyridine dicarboxylic acids: new complexes for incorporation into copper-based dye sensitized solar cells (DSCs)","Dalton Transactions","2009","","33","6634","6644","10.1039/b901346f","","","0.71073","MoKα","","0.0773","0.0375","","0.08","0.0554","0.08","","","","","","1.018","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7002018","29.972","0.004","29.972","0.004","8.656","0.002","90","","90","","120","","6734","2","153","2","153","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H40 Br2 N4 -","- C24 H40 Br2 N4 -","- C216 H360 Br18 N36 -","9","0.5","","Radloff, Christian; Hahn, F. Ekkehardt; Pape, Tania; Fröhlich, Roland","Supramolecular structures from mono and dimetalated biscarbene ligands","Dalton Transactions","2009","","35","7215","","10.1039/b907896g","","","0.71073","MoKα","","0.0976","0.0707","","","0.1932","0.2082","","","","","","1.078","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002099","47.5395","0.0012","47.5395","0.0012","13.896","0.0007","90","","90","","120","","27197.5","1.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C58 H80 Cl4 N4 O U -","- C58 H80 Cl4 N4 O U -","- C1044 H1440 Cl72 N72 O18 U18 -","18","1","","Gardner, Benedict M.; McMaster, Jonathan; Liddle, Stephen T.","Synthesis and structure of a bis-N-heterocyclic carbene complex of uranium tetrachloride exhibiting short Cl⋯Ccarbene contacts","Dalton Transactions","2009","","35","6924","","10.1039/b906000f","","","0.71073","MoKα","","0.0545","0.0446","","","0.1021","0.1067","","","","","","1.035","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002363","24.7994","0.0003","24.7994","0.0003","46.14","0.0007","90","","90","","120","","24574.8","0.6","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C174 H151 Au6 Cu2 F12 Fe6 O3 P8 -","- C171 H144 Au6 Cu2 F12.06 Fe6 O3 P8.01 -","- C1026 H864 Au36 Cu12 F72.36 Fe36 O18 P48.06 -","6","0.333333","","Koshevoy, Igor O.; Smirnova, Ekaterina S.; Doménech, Antonio; Karttunen, Antti J.; Haukka, Matti; Tunik, Sergey P.; Pakkanen, Tapani A.","Synthesis, electrochemical and theoretical studies of the Au(i)-Cu(i) heterometallic clusters bearing ferrocenyl groups","Dalton Transactions","2009","","39","8392","8398","10.1039/b901816f","","","0.71073","MoKα","","0.065","0.0449","","","0.0956","0.1025","","","","","","1.062","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002646","13.301","0.0003","13.301","0.0003","49.1441","0.0019","90","","90","","120","","7529.6","0.4","150","","150","","","","","","","","Ross Inglis, RI1404","6","R -3 :H","-R 3","148","","","","- C50.5 H61 Cl Mn3 N6 O12 -","- C48 H54 Cl Mn3 N6 O11 -","- C288 H324 Cl6 Mn18 N36 O66 -","6","0.333333","","Inglis, Ross; Taylor, Stephanie M.; Jones, Leigh F.; Papaefstathiou, Giannis S.; Perlepes, Spyros P.; Datta, Saiti; Hill, Stephen; Wernsdorfer, Wolfgang; Brechin, Euan K.","Twisting, bending, stretching: strategies for making ferromagnetic [MnIII3] triangles","Dalton Transactions","2009","","42","9157","","10.1039/b911820a","","","0.71073","MoKα","","0.0485","0.0346","","0.1056","0.0909","0.1056","","","","","","0.8834","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7002807","36.159","0.003","36.159","0.003","24.384","0.002","90","","90","","120","","27610","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","(Mn8O4(PhCO2)12(C7H17N2O)2) 2CH2CL2 1/2MeOH","","","- C98 H94 Mn8 N4 O32 -","- C98 H94 Mn8 N4 O32 -","- C882 H846 Mn72 N36 O288 -","9","0.5","","Escuer, Albert; Vicente, Ramon; Fallah, M. Salah El; Sañudo, E. Carolina; Teat, Simon J.; de Biani, Fabrizia Fabrizi; Zanello, Piero","Octanuclear manganese(ii,iii) clusters stabilized with diamino-alcoxo ligands","Dalton Transactions","2009","","44","9924","9928","10.1039/b909371k","","","0.71073","MoKα","","0.102","0.0699","","","0.1898","0.2075","","","","","","0.999","","","","has coordinates,has disorder","179732","2020-10-21","18:00:00",""
"7002819","34.3754","0.0012","34.3754","0.0012","24.9569","0.0007","90","","90","","120","","25539.8","1.5","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H49 Cl2 N6 O15 P V2 -","- C48 H49 Cl2 N6 O15 P V2 -","- C864 H882 Cl36 N108 O270 P18 V36 -","18","1","","Egdal, Rune Kirk; Raber, Georg; Bond, Andrew D.; Hussain, Munawar; Espino, Maria P. B.; Francesconi, Kevin A.; McKenzie, Christine J.","Selective recognition and binding of arsenate over phosphate","Dalton Transactions","2009","","44","9718","9721","10.1039/b918143c","","","0.71073","MoKα","","0.0664","0.0505","","","0.1264","0.1339","","","","","","1.042","","","","has coordinates,has disorder","179732","2020-10-21","18:00:00",""
"7002861","7.937","0.0006","7.937","0.0006","21.449","0.002","90","","90","","120","","1170.17","0.17","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H6 Cr N0 Na O14 -","- C6 H6 Cr Na O14 -","- C18 H18 Cr3 Na3 O42 -","3","0.166667","","Sengupta, Oindrila; Song, You; Mukherjee, Partha Sarathi","Co(ii) and Cr(iii) complexes of formate‒formamide mixed ligands: synthesis, structures, single crystal-to-single crystal transformation and magnetic behaviour","Dalton Transactions","2009","","46","10343","10352","10.1039/b916878h","","","0.71073","MoKα","","0.0345","0.0331","","","0.1016","0.1025","","","","","","1.139","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7003028","27.3962","0.0016","27.3962","0.0016","12.6672","0.001","90","","90","","120","","8233.6","0.9","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 Ni O4 -","- C28 H58 N8 Ni O4 -","- C252 H522 N72 Ni9 O36 -","9","0.5","","Yuksel, Fatma; Gümüş, Gülay; Gürol, İlke; Ahsen, Vefa; Chumakov, Yurii; Jeanneau, Erwann; Luneau, Dominique","Channel architecture via self assembly of oxamide oximes complexes","Dalton Transactions","2008","","2","241","252","10.1039/b707930c","","","0.71073","MoKα","","0.0977","0.0535","","","0.1527","0.1737","","","","","","0.947","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003029","27.8737","0.0019","27.8737","0.0019","12.4102","0.0013","90","","90","","120","","8350.2","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 O4 Pd -","- C28 H58 N8 O4 Pd -","- C252 H522 N72 O36 Pd9 -","9","0.5","","Yuksel, Fatma; Gümüş, Gülay; Gürol, İlke; Ahsen, Vefa; Chumakov, Yurii; Jeanneau, Erwann; Luneau, Dominique","Channel architecture via self assembly of oxamide oximes complexes","Dalton Transactions","2008","","2","241","252","10.1039/b707930c","","","0.71073","MoKα","","0.1684","0.046","","","0.1049","0.1504","","","","","","0.651","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003106","19.6795","0.0006","19.6795","0.0006","50.516","0.003","90","","90","","120","","16942.9","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H124 Cu6 N6 O31 Ti4 -","- C96 H124 Cu6 N6 O31 Ti4 -","- C576 H744 Cu36 N36 O186 Ti24 -","6","0.333333","","Tahir, Asif Ali; Hamid, Mazhar; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.; Nadeem, Muhammad; Akhtar, Muhammad Javed","Single source heterobimetallic precursors for the deposition of Cu‒Ti mixed metal oxide thin films","Dalton Transactions","2008","","9","1224","1232","10.1039/b712031a","","","0.71073","MoKα","","0.0567","0.0424","","","0.1237","0.1383","","","","","","1.127","","","","has coordinates,has disorder","179735","2020-10-21","18:00:00",""
"7003122","20.0645","0.0009","20.0645","0.0009","10.2064","0.0005","90","","90","","120","","3558.4","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Cu N2 -","- C6 H9 Cu N2 -","- C108 H162 Cu18 N36 -","18","1","","Bowmaker, Graham A.; Hanna, John V.; Hahn, F. Ekkehardt; Lipton, Andrew S.; Oldham, Carolyn E.; Skelton, Brian W.; Smith, Mark E.; White, Allan H.","Structural and spectroscopic studies of some copper(i) halide tert-butyl isocyanide adducts","Dalton Transactions","2008","","13","1710","1720","10.1039/b712815k","","","0.71073","MoKα","","0.1469","0.046","","","0.0568","0.0743","","","","","","0.855","","","","has coordinates","179735","2020-10-21","18:00:00",""
"7003141","19.536","0.003","19.536","0.003","33.566","0.007","90","","90","","120","","11094","3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C115.5 H240 Mg0.62 N12 O26 Zn7.38 -","- C115.5 H240 Mg0.6236 N12 O26 Zn7.3764 -","- C346.5 H720 Mg1.8708 N36 O78 Zn22.1292 -","3","0.166667","","Hill, Matthew R.; Jensen, Paul; Russell, Jennifer J.; Lamb, Robert N.","Synthesis and properties of Zn‒Mg heterobimetallic carbamates. Crystal structures of the first reported single source precursors for ZnxMg1−xO thin films","Dalton Transactions","2008","","20","2751","2758","10.1039/b712952a","","","0.71073","Mo-Kα","","0.064","0.0294","","","0.0671","0.082","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7003246","13.333","0.0017","13.333","0.0017","26.773","0.004","90","","90","","120","","4121.8","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H50 F14 N8 O6 P2 -","- C54 H50 F14 N8 O6 P2 -","- C162 H150 F42 N24 O18 P6 -","3","0.166667","","Singh, Ashutosh S.; Bharadwaj, Parimal K.","Binding of HgCl2 by tripodal ligands controlled by AgPF6: receptors for the PF6− anion","Dalton Transactions","2008","","6","738","741","10.1039/b714654j","","","0.71073","MoKα","","0.0664","0.0577","","","0.15","0.1548","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003359","52.1838","0.0013","52.1838","0.0013","9.415","0.0003","90","","90","","120","","22203.5","1.1","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37 H47 Br2 N5 -","- C37 H47 Br2 N5 -","- C666 H846 Br36 N90 -","18","1","","Pugh, David; Boyle, Aimee; Danopoulos, Andreas A.","‘Pincer’ pyridine dicarbene complexes of nickel and their derivatives. Unusual ring opening of a coordinated imidazol-2-ylidene","Dalton Transactions","2008","","8","1087","1094","10.1039/b715769j","","","0.71073","MoKα","","0.1366","0.0995","","","0.2847","0.3094","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003360","52.325","0.004","52.325","0.004","9.4345","0.0005","90","","90","","120","","22370","3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38.67 H48.67 Cl5 I2 N5 -","- C38.67 H48.67 Cl5.01 I2 N5 -","- C696.06 H876.06 Cl90.18 I36 N90 -","18","1","","Pugh, David; Boyle, Aimee; Danopoulos, Andreas A.","‘Pincer’ pyridine dicarbene complexes of nickel and their derivatives. Unusual ring opening of a coordinated imidazol-2-ylidene","Dalton Transactions","2008","","8","1087","1094","10.1039/b715769j","","","0.71073","MoKα","","0.1396","0.0665","","","0.15","0.1754","","","","","","1.029","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7003407","32.3388","0.0019","32.3388","0.0019","12.6601","0.0006","90","","90","","120","","11466.1","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H162.67 As6 Na12 O31 Se18 -","- C96 H150 As6 Na12 O30 Se18 -","- C288 H450 As18 Na36 O90 Se54 -","3","0.166667","","Zell, Thomas; Shi, Weifeng; Langer, Robert; Ponikiewski, Lukasz; Rothenberger, Alexander","Reactivity of a heterocyclic As‒Se compound with metal salts: syntheses and structures of the first copper complexes and of new alkali metal salts containing As‒Se anions","Dalton Transactions","2008","","7","932","937","10.1039/b715947a","","","0.71073","MoKα","","0.0666","0.0391","","","0.0911","0.1029","","","","","","0.797","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003791","11.208","0.019","11.208","0.019","21.16","0.02","90","","90","","120","","2302","6","111","2","111","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10 H27 N4 Nb -","- C10 H27 N4 Nb -","- C60 H162 N24 Nb6 -","6","0.333333","","Baunemann, Arne; Bekermann, Daniela; Thiede, Tobias B.; Parala, Harish; Winter, Manuela; Gemel, Christian; Fischer, Roland A.","Mixed amido/imido/guanidinato complexes of niobium: potential precursors for MOCVD of niobium nitride thin films","Dalton Transactions","2008","","28","3715","3722","10.1039/b719688a","","","0.71073","MoKα","","0.042","0.0338","","","0.0749","0.0786","","","","","","1.124","","","","has coordinates,has disorder","179741","2020-10-21","18:00:00",""
"7003849","42.677","0.003","42.677","0.003","22.0593","0.0015","90","","90","","120","","34794","4","113","2","113","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C47 H50 F15 N24 Ni4 O16 P S3 -","- C47 H44 F11 N24 Ni4 O16 P0.333333 S3 -","- C846 H792 F198 N432 Ni72 O288 P6 S54 -","18","1","","Dawe, Louise N.; Thompson, Laurence K.","Complete and ‘incomplete’ [2 ×2] grids by self-assembly with a sterically hindered ditopic imidazole hydrazone ligand—structural and magnetic studies","Dalton Transactions","2008","","27","3610","3618","10.1039/b800529j","","","0.7107","MoKα","","0.0925","0.0883","","","0.246","0.252","","","","","","1.089","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7003888","13.36","0.0012","13.36","0.0012","39.556","0.008","90","","90","","120","","6114.4","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","W(OCN)(Cl)2(N(i-Pr)Ar)3","","","- C42 H64 Cl2 N4 O3 W -","- C41.946 H63.912 Cl2.01 N3.99 O2.979 W -","- C251.676 H383.472 Cl12.06 N23.94 O17.874 W6 -","6","0.333333","","Clough, Christopher R.; Müller, Peter; Cummins, Christopher C.","6-Coordinate tungsten(vi) tris-n-isopropylanilide complexes: products of terminal oxo and nitrido transformations effected by main group electrophiles","Dalton Transactions","2008","","33","4458","4463","10.1039/b801037d","","","0.71073","MoKα","","0.065","0.045","","","0.1157","0.1394","","","","","","1.152","","","","has coordinates,has disorder","179742","2020-10-21","18:00:00",""
"7003957","38.5672","0.0011","38.5672","0.0011","9.3498","0.0003","90","","90","","120","","12044","0.6","243.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C150 H222 Al12 N6 O6 -","- C150 H222 Al12 N6 O6 -","- C450 H666 Al36 N18 O18 -","3","0.166667","","Liu, Jingyu; Iwasa, Naruhito; Nomura, Kotohiro","Synthesis of Al complexes containing phenoxy-imine ligands and their use as the catalyst precursors for efficient living ring-opening polymerisation of ε-caprolactone","Dalton Transactions","2008","","30","3978","3988","10.1039/b801561a","","","0.71075","MoKα","","","0.0399","","","","0.1007","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004104","26.551","0.005","26.551","0.005","19.976","0.005","90","0.005","90","0.005","120","0.005","12196","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H14 Cu2 N9 O10.25 -","- C13 H14 Cu2 N9 O10.25 -","- C234 H252 Cu36 N162 O184.5 -","18","1","","Kolotilov, Sergey V.; Schollmeyer, Dieter; Thompson, Laurence K.; Golub, Vladimir; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Synthesis, structure and magnetic properties of oligometallic systems derived from di- and trinuclear copper(ii) amido-oximate complexes","Dalton Transactions","2008","","22","3007","3014","10.1039/b802822b","","","0.71069","MoKα","","0.1628","0.0777","","","0.2023","0.2488","","","","","","1.02","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004255","23.5608","0.0003","23.5608","0.0003","15.5896","0.0006","90","","90","","120","","7494.6","0.3","150","","150","","","","","","","","G.Karotsis reaction GK3","6","R -3 :H","-R 3","148","","","","- C16 H46 Cl4 Mn4 N4 O11 -","- C12 H32 Cl4 Mn4 N4 O8 -","- C108 H288 Cl36 Mn36 N36 O72 -","9","0.5","","Karotsis, Georgios; Jones, Leigh F.; Papaefstathiou, Giannis S.; Collins, Anna; Parsons, Simon; Nguyen, Tuyen D.; Evangelisti, Marco; Brechin, Euan K.","Rare tetranuclear mixed-valent [MnII2MnIV2] clusters as building blocks for extended networks","Dalton Transactions","2008","","36","4917","4925","10.1039/b804897e","","","0.71073","MoKα","","0.0486","0.0378","","0.1062","0.0967","0.1062","","","","","","0.9935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004448","35.0028","0.0005","35.0028","0.0005","10.2067","0.0003","90","","90","","120","","10829.8","0.4","108","2","108","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H198 Cu6 N12 O111 -","- C66 H84 Cu6 N12 O54 -","- C198 H252 Cu18 N36 O162 -","3","0.166667","","Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Winsper, Melanie; Richardson, Christopher; Attfield, J. Paul; Rodgers, Jennifer A.","Subtle structural variation in copper metal-organic frameworks: syntheses, structures, magnetic properties and catalytic behaviour","Dalton Transactions","2008","","47","6788","6795","10.1039/b807063f","","","0.71073","MoKα","","0.129","0.1037","","","0.2971","0.3148","","","","","","1.105","","","","has coordinates,has disorder","179748","2020-10-21","18:00:00",""
"7004516","15.1659","0.0011","15.1659","0.0011","26.9397","0.0003","90","","90","","120","","5366.1","0.6","140","1","140","1","","","","","","","","6","R -3 :H","-R 3","148","AnnaF24","","","- C34.655 H27 B F15 N O3 -","- C34.62 H27 B F15 N O3 -","- C207.72 H162 B6 F90 N6 O18 -","6","0.333333","","Fuller, Anna-Marie; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Male, Louise; Lancaster, Simon J.","The synthesis, molecular structure and supramolecular architecture of complexes between the ammonia adduct of tris(pentafluorophenyl)boron and a series of mono and polydentate hydrogen-bond acceptors","Dalton Transactions","2008","","45","6381","6392","10.1039/b808208a","","","0.71073","Mo-Kα","","0.0748","0.0573","","","0.1273","0.1375","","","","","","1.181","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004699","29.04","0.004","29.04","0.004","26.733","0.005","90","","90","","120","","19524","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C230 H294 Mn12 N24 O82 -","- C204 H168 Mn12 N24 O66 -","- C612 H504 Mn36 N72 O198 -","3","0.166667","","Liu, Xinfang; Liu, Wenlong; Lee, Kyungjin; Park, Mira; Ri, Hyeong-Cheol; Kim, Ghyung Hwa; Lah, Myoung Soo","A dodecanuclear metallamacrocycle having a multidentate bridging ligand in two different binding modes","Dalton Transactions","2008","","46","6579","6583","10.1039/b810711d","","","0.7","","","0.1299","0.0656","","","0.1896","0.2123","","","","","","0.89","","","","has coordinates,has disorder","179750","2020-10-21","18:00:00",""
"7004898","18.222","0.003","18.222","0.003","32.411","0.005","90","","90","","120","","9320","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H30 Cl3 Cr Mn3 N12 O6 -","- C36 H30 Cl3 Cr Mn3 N12 O6 -","- C216 H180 Cl18 Cr6 Mn18 N72 O36 -","6","0.333333","","Khanra, Sumit; Biswas, Biplab; Golze, Christian; Büchner, Bernd; Kataev, Vladislav; Weyhermüller, Thomas; Chaudhuri, Phalguni","A spin-frustrated star-shaped heterotetranuclear CrIIIMnII3 species and its magnetic and HF-EPR measurements.","Dalton transactions (Cambridge, England : 2003)","2007","","4","481","487","10.1039/b613293f","","","1.54178","CuKα","","0.0913","0.0758","","","0.1577","0.1629","","","","","","1.114","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7005063","27.775","0.0005","27.775","0.0005","17.732","0.0007","90","","90","","120","","11846.7","0.6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C168 H140 Mn13 O51 -","- C168 H138 Mn13 O51 -","- C504 H414 Mn39 O153 -","3","0.166667","","Ferguson, Alan; Thomson, Katrina; Parkin, Andrew; Cooper, Paul; Milios, Constantinos J.; Brechin, Euan K.; Murrie, Mark","Synthesis and characterisation of a mixed-valence Mn13 complex with S6 symmetry by using 2-phenoxybenzoate.","Dalton transactions (Cambridge, England : 2003)","2007","","7","728","730","10.1039/b615856k","","","0.6894","synchrotron","","0.0747","0.0587","","","0.1956","0.2123","","","","","","1.118","","","","has coordinates,has disorder","179754","2020-10-21","18:00:00",""
"7005437","38.587","0.006","38.587","0.006","10.062","0.002","90","","90","","120","","12975","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","040029","","","- C28 H25 Cl2 Fe N3 S -","- C28 H25 Cl2 Fe N3 S -","- C504 H450 Cl36 Fe18 N54 S18 -","18","1","","Schmiege, Benjamin M.; Carney, Michael J.; Small, Brooke L.; Gerlach, Deidra L.; Halfen, Jason A.","Alternatives to pyridinediimine ligands: syntheses and structures of metal complexes supported by donor-modified alpha-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2547","2562","10.1039/b702197f","","","0.71073","MoKα","","0.1886","0.082","","","0.2008","0.255","","","","","","1.007","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005482","29.884","0.002","29.884","0.002","9.7853","0.0013","90","","90","","120","","7568","1.2","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H12 Mn N6 O2 Ru -","- C14 H10 Mn N6 O2 Ru -","- C252 H180 Mn18 N108 O36 Ru18 -","18","1","","Xia, Jun; Shi, Wei; Chen, Xiao-Yan; Wang, Hong-Sheng; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","A CNT-like coordination tube with cyano-bridges","Dalton Transactions","2007","","23","2373","","10.1039/b702500a","","","0.71073","MoKα","","0.046","0.0302","","","0.0781","0.0879","","","","","","0.991","","","","has coordinates,has disorder","179758","2020-10-21","18:00:00",""
"7005664","26.311","0.003","26.311","0.003","11.27","0.001","90","","90","","120","","6756.6","1.2","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C13 H14 Br N3 O3 -","- C13 H14 Br N3 O3 -","- C234 H252 Br18 N54 O54 -","18","1","","Bernhardt, Paul V.; Chin, Piao; Sharpe, Philip C.; Richardson, Des R.","Hydrazone chelators for the treatment of iron overload disorders: iron coordination chemistry and biological activity.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3232","3244","10.1039/b704102k","","x-ray","0.71073","MoKα","","0.2601","0.0477","","","0.0766","0.1179","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005902","25.281","0.001","25.281","0.001","7.4007","0.0004","90","","90","","120","","4096.3","0.3","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","Silver(i) Pentafluoropropionate 2:1 Complex with Pyridazino(4,5-d)pyridazine","Silver(I) Pentafluoropropionate 2:1 Complex with Pyridazino[4,5-d]pyridazine","","- C12 H4 Ag2 F10 N4 O4 -","- C12 H4 Ag2 F10 N4 O4 -","- C108 H36 Ag18 F90 N36 O36 -","9","0.5","","Konstantin V. Domasevitch; Pavlo V. Solntsev; Il'ya A. Gural'skiy; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Judith A. K. Howard","Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3893","3905","10.1039/b706731c","","","0.71073","MoKα","","0.0325","0.0244","","","0.0624","0.0643","","","","","","1.038","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7005907","26.9862","0.0012","26.9862","0.0012","7.6176","0.0004","90","","90","","120","","4804.3","0.4","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","Silver(i) Pentafluoropropionate 2:1 Complex with 4,4'- Bipyridazine","Silver(I) Pentafluoropropionate 2:1 Complex with 4,4'-Bipyridazine","","- C14 H6 Ag2 F10 N4 O4 -","- C14 H6 Ag2 F10 N4 O4 -","- C126 H54 Ag18 F90 N36 O36 -","9","0.5","","Konstantin V. Domasevitch; Pavlo V. Solntsev; Il'ya A. Gural'skiy; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Judith A. K. Howard","Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3893","3905","10.1039/b706731c","","","0.71073","MoKα","","0.0488","0.0387","","","0.1121","0.1189","","","","","","1.081","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7005908","28.4273","0.0011","28.4273","0.0011","7.5353","0.0003","90","","90","","120","","5273.5","0.4","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","Silver(i) Heptafluorobutyrate 2:1 Complex with 4,4'- Bipyridazine","Silver(I) Heptafluorobutyrate 2:1 Complex with 4,4'-Bipyridazine","","- C16 H6 Ag2 F14 N4 O4 -","- C16 H6 Ag2 F14 N4 O4 -","- C144 H54 Ag18 F126 N36 O36 -","9","0.5","","Konstantin V. Domasevitch; Pavlo V. Solntsev; Il'ya A. Gural'skiy; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Judith A. K. Howard","Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3893","3905","10.1039/b706731c","","","0.71073","MoKα","","0.0533","0.0461","","","0.1507","0.1575","","","","","","1.108","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7006036","14.8246","0.0015","14.8246","0.0015","16.8024","0.0015","90","","90","","120","","3197.9","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H30 I6 Te3 -","- C9 H7.5 I1.5 Te0.75 -","- C108 H90 I18 Te9 -","12","0.666667","","Hrib, Cristian G.; Jeske, Jörg; Jones, Peter G.; du Mont, Wolf-W","Telluroselenophosphonium ions: their unusual soft-soft interactions with iodotellurate anions.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3483","3485","10.1039/b708370j","","","0.71073","MoKα","","0.024","0.0174","","","0.0351","0.0361","","","","","","1.024","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006037","14.158","0.0002","14.158","0.0002","26.393","0.0006","90","","90","","120","","4581.66","0.14","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H42 B N O3 Ti -","- C34.5 H34 B N O3 Ti -","- C207 H204 B6 N6 O18 Ti6 -","6","0.333333","","Johnson, Andrew L.; Davidson, Matthew G.; Mahon, Mary F.","Reactivity of boranes with a titanium(IV) amine tris(phenolate) alkoxide complex; formation of a Ti(IV) tetrahydroborate complex, a Ti(III) dimer and a Ti(IV) hydroxide Lewis acid adduct.","Dalton transactions (Cambridge, England : 2003)","2007","","46","5405","5411","10.1039/b708378e","","","0.71073","MoKα","","0.067","0.0481","","","0.1232","0.1343","","","","","","1.047","","","","has coordinates,has disorder","179764","2020-10-21","18:00:00",""
"7006053","11.3387","0.0015","11.3387","0.0015","32.002","0.008","90","","90","","120","","3563.2","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H27 F7 O6 Ta2 -","- C18 H27 F7 O6 Ta2 -","- C108 H162 F42 O36 Ta12 -","6","0.333333","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Reactivity of niobium(v) and tantalum(v) halides with carbonyl compounds: synthesis of simple coordination adducts, C-H bond activation, C=O protonation, and halide transfer.","Dalton transactions (Cambridge, England : 2003)","2007","","38","4343","4351","10.1039/b708531a","","","0.71073","MoKα","","0.0455","0.0343","","","0.0855","0.0931","","","","","","1.03","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006059","21.5209","0.0009","21.5209","0.0009","72.662","0.004","90","","90","","120","","29145","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H43.83 N8 O43.83 Sb6 V15 -","- C12 H42 N8 O43.8333 Sb6 V15 -","- C216 H756 N144 O789 Sb108 V270 -","18","1","","Kiebach, Ragnar; Näther, Christian; Kögerler, Paul; Bensch, Wolfgang","[V(IV)15Sb(III)6O42]6-: an antimony analogue of the molecular magnet [V15As6O42(H2O)]6-.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3221","3223","10.1039/b708744f","","","0.71073","MoKα","","0.0871","0.06","","","0.1471","0.162","","","","","","1.023","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006241","30.736","0.002","30.736","0.002","8.7792","0.0013","90","","90","","120","","7182.6","1.3","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H14 Cu K N O6 -","- C15 H14 Cu K N O6 -","- C270 H252 Cu18 K18 N18 O108 -","18","1","","Spina, Giuseppe La; Clérac, Rodolphe; Collins, Emily S.; McCabe, Thomas; Venkatesan, Munuswamy; Ichinose, Izumi; Schmitt, Wolfgang","Engineering coordination assemblies of dinuclear CuII complexes","Dalton Transactions","2007","","45","5248","","10.1039/b710828a","","","0.71073","MoKα","","0.0338","0.0276","","","0.081","0.091","","","","","","1.138","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006349","14.9142","0.0004","14.9142","0.0004","44.202","0.002","90","","90","","120","","8514.8","0.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C96 H116 Cl Gd N12 O24 P6 -","- C96 H116 Cl1.02 Gd N12.02 O24.06 P6 -","- C288 H348 Cl3.06 Gd3 N36.06 O72.18 P18 -","3","0.166667","","Kovacs, Michael S.; Monga, Vishakha; Patrick, Brian O.; Orvig, Chris","Lanthanide(III) and group 13 metal ion complexes of tripodal amino phosphinate ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","31","38","10.1039/b507905e","","","0.71069","MoKα","","0.0346","0.0336","","","0.0927","0.0934","","","","","","1.083","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006454","21.2128","0.0016","21.2128","0.0016","11.5527","0.0016","90","","90","","120","","4502","0.8","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H60 O13 P6 Se12 Zn4 -","- C24 H60 O13 P6 Se12 Zn4 -","- C72 H180 O39 P18 Se36 Zn12 -","3","0.166667","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.0561","0.0426","","","0.1055","0.1118","","","","","","1.062","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006455","22.72","0.0003","22.72","0.0003","11.9987","0.0004","90","","90","","120","","5363.9","0.2","566","2","566","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H84 O13 P6 Se12 Zn4 -","- C36 O13 P6 Se12 Zn4 -","- C108 O39 P18 Se36 Zn12 -","3","0.166667","","Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun","Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.","Dalton transactions (Cambridge, England : 2003)","2006","","4","560","570","10.1039/b510728h","","","0.71073","MoKα","","0.0918","0.0666","","","0.1276","0.1333","","","","","","1.04","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006546","28.728","0.004","28.728","0.004","13.871","0.003","90","","90","","120","","9914","3","140","1","140","1","","","","","","","","6","R -3 :H","-R 3","148","Complex 7","","","- C46.67 H47.33 Ca F10 N2 O4 -","- C45.94 H42 Ca F10 N2 O4 -","- C413.46 H378 Ca9 F90 N18 O36 -","9","0.5","","Sarazin, Yann; Howard, Ruth H.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Titanium, zinc and alkaline-earth metal complexes supported by bulky O,N,N,O-multidentate ligands: syntheses, characterisation and activity in cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2006","","2","340","350","10.1039/b511851d","","","0.71073","Mo-Kα","","0.108","0.0531","","","0.1244","0.1381","","","","","","0.887","","","","has coordinates,has disorder","179769","2020-10-21","18:00:00",""
"7006596","34.563","0.0007","34.563","0.0007","41.0813","0.0015","90","","90","","120","","42501","2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C82 H106 Br4 Cl0 Cr2 N10 O3 -","- C82 H106 Br4 Cr2 N10 O3 -","- C1476 H1908 Br72 Cr36 N180 O54 -","18","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.2029","0.0998","","","0.1998","0.2395","","","","","","1.038","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006606","21.777","0.003","21.777","0.003","12.378","0.003","90","","90","","120","","5083.7","1.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","hexameric sodium diphenylmethanolate","hexameric sodium diphenylmethanolate","","- C78 H66 Na6 O6 -","- C78 H66 Na6 O6 -","- C234 H198 Na18 O18 -","3","0.166667","","Geier, Jens; Rüegger, Heinz; Grützmacher, Hansjörg","Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).","Dalton transactions (Cambridge, England : 2003)","2006","","1","129","136","10.1039/b512173f","","","0.71073","MoKα","","0.0856","0.0485","","","0.1206","0.1419","","","","","","1.029","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7007354","14.019","0.002","14.019","0.002","25.38","0.005","90","","90","","120","","4319.7","1.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H30 O24 S6 Sc2 -","- C6 H30 O24 S6 Sc2 -","- C36 H180 O144 S36 Sc12 -","6","0.333333","","Lindqvist-Reis, Patric; Persson, Ingmar; Sandström, Magnus","The hydration of the scandium(III) ion in aqueous solution and crystalline hydrates studied by XAFS spectroscopy, large-angle X-ray scattering and crystallography.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3868","3878","10.1039/b604267h","","","0.71073","MoKα","","0.062","0.0385","","","0.0866","0.1031","","","","","","1.187","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7008595","16.7701","0.0007","16.7701","0.0007","34.138","0.002","90","","90","","120","","8314.6","0.7","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","[Cu~2~(CN)L^1^]~2~[Cu~6~(CN)~12~].6(C~2~H~6~O).H~2~O","","","- C98 H146 Cu10 N30 O7 -","- C98 H144 Cu10 N30 O7 -","- C294 H432 Cu30 N90 O21 -","3","0.166667","","Bond, Andrew D.; Derossi, Sofia; Harding, Charles J.; McInnes, Eric J. L.; McKee, Vickie; McKenzie, Christine J.; Nelson, Jane; Wolowska, Joanna","Cascade complexation: a single cyano bridge links a pair of Cu(II) cations.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2403","2409","10.1039/b504916d","","","0.71073","MoKα","","0.0713","0.0485","","","0.1501","0.1648","","","","","","1.183","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008630","13.7375","0.0004","13.7375","0.0004","21.5674","0.0006","90","","90","","120","","3524.88","0.18","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H32 Cl Mn N12 Ni2 O11 -","- C36 H30 Cl1.02 Mn N12 Ni2 O11.07 -","- C108 H90 Cl3.06 Mn3 N36 Ni6 O33.21 -","3","0.166667","","Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Chaudhuri, Phalguni","A magnetostructural study of linear NiII MnIII NiII, NiII CrIII NiII and triangular Ni(II)3 species containing (pyridine-2-aldoximato)nickel(II) unit as a building block.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2539","2546","10.1039/b505302a","","","0.71073","MoKα","","0.0359","0.0325","","","0.0944","0.097","","","","","","1.091","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008631","13.6398","0.0003","13.6398","0.0003","21.5949","0.0005","90","","90","","120","","3479.35","0.13","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H30 Cl Cr N12 Ni2 O10 -","- C36 H30 Cl1.02 Cr N12 Ni2 O10.08 -","- C108 H90 Cl3.06 Cr3 N36 Ni6 O30.24 -","3","0.166667","","Weyhermüller, Thomas; Wagner, Rita; Khanra, Sumit; Chaudhuri, Phalguni","A magnetostructural study of linear NiII MnIII NiII, NiII CrIII NiII and triangular Ni(II)3 species containing (pyridine-2-aldoximato)nickel(II) unit as a building block.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2539","2546","10.1039/b505302a","","","0.71073","MoKα","","0.0383","0.0349","","","0.1088","0.1118","","","","","","1.11","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008807","15.029","0.004","15.029","0.004","23.744","0.008","90","","90","","120","","4645","2","163.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H39 Cl3 Cu3 N3 -","- C33 H39 Cl3 Cu3 N3 -","- C198 H234 Cl18 Cu18 N18 -","6","0.333333","","Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu","Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3146","3147","10.1039/b508747c","","","0.71075","MoKα","","","0.0254","","","","0.0272","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008808","15.1677","0.0009","15.1677","0.0009","24.4621","0.0018","90","","90","","120","","4873.8","0.5","163.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H39 Br3 Cu3 N3 -","- C33 H39 Br3 Cu3 N3 -","- C198 H234 Br18 Cu18 N18 -","6","0.333333","","Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu","Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3146","3147","10.1039/b508747c","","","0.71075","MoKα","","","0.0237","","","","0.0264","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008809","15.3547","0.0017","15.3547","0.0017","25.539","0.005","90","","90","","120","","5214.6","1.3","163.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H39 Cu3 I3 N3 -","- C33 H39 Cu3 I3 N3 -","- C198 H234 Cu18 I18 N18 -","6","0.333333","","Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu","Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3146","3147","10.1039/b508747c","","","0.71075","MoKα","","","0.0203","","","","0.023","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009109","25.189","0.007","25.189","0.007","18.061","0.006","90","","90","","120","","9924","5","295","","295","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20.33 H24 Cl2 Fe N2 O5 -","- C20.3333 H24 Cl2.33333 Fe N2 O5 -","- C366 H432 Cl42 Fe18 N36 O90 -","18","1","","Shyu, Huey-Lih; Wei, Ho-Hsiang; Lee, Gene-Hsaing; Wang, Yu","Structure, magnetic properties and epoxidation activity of iron(III) salicylaldimine complexes","Journal of the Chemical Society, Dalton Transactions","2000","","6","915","","10.1039/a908648j","","","0.71073","MolybdenumKα","","0.145","0.069","","0.074","0.07","","","","","2.97","2.97","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009310","22.386","0.004","22.386","0.004","45.09","0.02","90","","90","","120","","19569","10","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H49.5 Cl2 Cu2 N8 O11.69 -","- C36 H48 Cl1.99933 Cu2 N8 O11.75 -","- C648 H864 Cl35.988 Cu36 N144 O211.5 -","18","1","","Drew, Michael G. B.; Farrell, David; Morgan, Grace G.; McKee, Vickie; Nelson, Jane","d10 Cations within triple-helical cryptand hosts; a structural and modelling study","Journal of the Chemical Society, Dalton Transactions","2000","","9","1513","","10.1039/a910240j","","","0.71073","MoKα","","0.1985","0.0814","","","0.1756","0.2251","","","","","","1.024","","","","has coordinates,has disorder","288183","2023-12-08","14:43:00",""
"7009572","34.402","0.002","34.402","0.002","13.7159","0.0011","90","","90","","120","","14058","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C222 H180 Cu6 N6 P12 -","- C222 H180 Cu6 N6 P12 -","- C666 H540 Cu18 N18 P36 -","3","0.166667","","Zhao, Yingjun; Hong, Maochun; Su, Weiping; Cao, Rong; Zhou, Zhongyuan; Chan, Albert S. C.","Synthesis and characterization of two copper cyanide complexes with hexagonal Cu6 units","Journal of the Chemical Society, Dalton Transactions","2000","","11","1685","","10.1039/b002096f","","","0.71073","MoKα","","0.0518","0.0346","","0.1053","0.0934","","","","1.002","1.039","1.039","","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009639","15.758","0.001","15.758","0.001","40.459","0.004","90","","90","","120","","8700.6","1.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C51 H42 Ag3 F9 N14 O9 S3 -","- C51 H42 Ag3 F9 N14 O9 S3 -","- C306 H252 Ag18 F54 N84 O54 S18 -","6","0.333333","","Su, Cheng-Yong; Kang, Bei-Sheng; Wang, Qi-Guang; Mak, Thomas C. W.","A novel (CF3SO3−)6 cluster with multiple F · · · F interactions: crystal structure of a self-assembled trinuclear Ag(I) complex with the tripodal ligand tris(2-benzimidazolylmethyl)amine","Journal of the Chemical Society, Dalton Transactions","2000","","12","1831","","10.1039/b002411m","","","0.71073","MoKα","","0.0564","0.0509","","","0.1523","0.1568","","","","","","1.138","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009697","28.215","0.004","28.215","0.004","23.17","0.005","90","","90","","120","","15974","5","203","2","203","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H47 La N6 O10 -","- C23.99 H33 La N6 O9.98 -","- C431.82 H594 La18 N108 O179.64 -","18","1","","Tei, Lorenzo; Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Schröder, Martin","Lanthanide complexes of a new nonadentate ligand derived from 1,4,7-triazacyclononane: synthesis, structural characterisation and NMR spectroscopic studies","Journal of the Chemical Society, Dalton Transactions","2000","","16","2793","","10.1039/b002794o","","","0.71073","MoKα","","0.0561","0.0434","","","0.119","0.1289","","","","","","1.001","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7009698","28.337","0.004","28.337","0.004","23.405","0.005","90","","90","","120","","16276","5","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H46 N6 O9.5 Sm -","- C24 H33 N6 O9.5 Sm -","- C432 H594 N108 O171 Sm18 -","18","1","","Tei, Lorenzo; Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Schröder, Martin","Lanthanide complexes of a new nonadentate ligand derived from 1,4,7-triazacyclononane: synthesis, structural characterisation and NMR spectroscopic studies","Journal of the Chemical Society, Dalton Transactions","2000","","16","2793","","10.1039/b002794o","","","0.71073","MoKα","","0.0609","0.0489","","","0.1369","0.1485","","","","","","1.004","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7009699","28.14","0.03","28.14","0.03","23.18","0.02","90","","90","","120","","15896","3","203","2","203","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23 H41.5 N6 O8.5 Y -","- C23 H33 N6 O8.51 Y -","- C414 H594 N108 O153.18 Y18 -","18","1","","Tei, Lorenzo; Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Schröder, Martin","Lanthanide complexes of a new nonadentate ligand derived from 1,4,7-triazacyclononane: synthesis, structural characterisation and NMR spectroscopic studies","Journal of the Chemical Society, Dalton Transactions","2000","","16","2793","","10.1039/b002794o","","","0.71073","MoKα","","0.0805","0.0662","","","0.186","0.2004","","","","","","1.052","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7009742","31.75","0.005","31.75","0.005","11.158","0.002","90","","90","","120","","9741","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H87 Fe2 N33 Ni3 O6 -","- C48 Fe2 N33 Ni3 O6 -","- C288 Fe12 N198 Ni18 O36 -","6","0.333333","","Kou, Hui-Zhong; Bu, Wei-Ming; Gao, Song; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Fan, Yu-Guo; Wang, Geng-Lin","Reactions between macrocyclic nickel(II) complexes and ferricyanide. Metamagnetic properties of a two-dimensional honeycomb assembly [NiL3]3[Fe(CN)6]2·8H2O (L3 = 3,10-dihydroxyethyl-1,3,6,8,10,12-hexaazacyclotetradecane) †","Journal of the Chemical Society, Dalton Transactions","2000","","17","2996","","10.1039/b003289l","","","0.71073","MoKα","","0.0561","0.0448","","0.0691","0.0611","","","","0.911","0.974","0.974","","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7010663","14.578","0.009","14.578","0.009","26.47","0.02","90","","90","","120","","4872","6","296.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 Ir2 N6 O12 S6 V -","- C12 H36 Cl3 Ir2 N6 O12 S6 V -","- C72 H216 Cl18 Ir12 N36 O72 S36 V6 -","6","0.333333","","Miyashita, Yoshitaro; Hamajima, Masato; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","Synthesis, characterization and reactivity of linear-type S-bridged trinuclear complexes containing vanadium(III) ion. Crystal structures of [VIII{M(aet)3}2](ClO4)3 (M = RhIII, IrIII; aet = 2-aminoethanethiolate)†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2089","","10.1039/b101965l","","","0.7107","MoKα","","","0.0417","","","","0.0474","","","","","","1.36","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010664","14.517","0.004","14.517","0.004","26.68","0.005","90","","90","","120","","4869","2","296.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 N6 O12 Rh2 S6 V -","- C12 H36 Cl3 N6 O12 Rh2 S6 V -","- C72 H216 Cl18 N36 O72 Rh12 S36 V6 -","6","0.333333","","Miyashita, Yoshitaro; Hamajima, Masato; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","Synthesis, characterization and reactivity of linear-type S-bridged trinuclear complexes containing vanadium(III) ion. Crystal structures of [VIII{M(aet)3}2](ClO4)3 (M = RhIII, IrIII; aet = 2-aminoethanethiolate)†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2089","","10.1039/b101965l","","","0.7107","MoKα","","","0.0484","","","","0.0703","","","","","","1.296","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010791","29.15","0.0009","29.15","0.0009","17.661","0.001","90","","90","","120","","12996.4","0.9","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","[FetpenbzCl](PF6).0.192CH2Cl2","[FetpenbzCl](PF6).0.192CH2Cl2","","- C27.192 H29.384 Cl1.384 F6 Fe N5 P -","- C27.192 H29.384 Cl1.256 F6 Fe N5 P -","- C489.456 H528.912 Cl22.608 F108 Fe18 N90 P18 -","18","1","","Alan Hazell; Christine J. McKenzie; Lars Preuss Nielsen; Siegfried Schindler; Markus Weitzer","Mononuclear non-heme iron(III) peroxide complexes: syntheses, characterisation, mass spectrometric and kinetic studies","J. Chem. Soc., Dalton Trans.","2002","","3","310","317","10.1039/b103844n","","","0.71073","MoKα","","","0.046","","","","0.037","","","","","","0.969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011171","21.9946","0.0004","21.9946","0.0004","12.4171","0.0004","90","","90","","120","","5202.2","0.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4.5 H25 Mo6 N5 O27.5 -","- C4.51 H3 Mo6 N5.03 O27.51 -","- C27.06 H18 Mo36 N30.18 O165.06 -","6","0.333333","","Manos, Manolis J.; Keramidas, Anastasios D.; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kabanos, Themistoklis A.","The first polyoxomolybdenum carbonate compound: Synthesis and crystal structure of (NH4)5[(Mo2VO4)3(µ6-CO3)(µ-CO3)3(µ-OH)3]·0.5CH3OH 1","Journal of the Chemical Society, Dalton Transactions","2001","","23","3419","","10.1039/b108430p","","","0.71073","MoKα","","0.056","0.0445","","0.1831","0.1238","","","","1.059","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011341","14.895","0.002","14.895","0.002","36.505","0.007","90","","90","","120","","7014","1.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H140 K6 Li8 N12 O15 -","- C60.06 H120 K6 Li8 N12 O15 -","- C180.18 H360 K18 Li24 N36 O45 -","3","0.166667","","Philip C. Andrews; Jonathan G. MacLellan; Robert E. Mulvey; Peter J. Nichols","New homo- and hetero-alkali metal alkoxide cages; crystal structures of [Me2N(CH2)2OLi]8 and [{Me2N(CH2)2O}12Li8K6]O","J. Chem. Soc., Dalton Trans.","2002","","8","1651","1655","10.1039/b110708a","","","0.71073","MoKα","","0.1899","0.0844","","","0.2358","0.3012","","","","","","0.97","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011416","40.3422","0.0011","40.3422","0.0011","21.0202","0.0006","90","","90","","120","","29626.9","1.4","150","1","150","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C62 H48.67 Cl4 Co5 N26 O0.33 -","- C62 H48.67 Cl4 Co5 N26 O0.333333 -","- C1116 H876.06 Cl72 Co90 N468 O6 -","18","1","","Yeh, Chen-Yu; Chou, Chung-Hsien; Pan, Kun-Chih; Wang, Chih-Chieh; Lee, Gene-Hsiang; Su, Y. Oliver; Peng, Shie-Ming","Linear pentacobalt complexes: synthesis, structures, and physical properties of neutral and one-electron oxidation compounds","Journal of the Chemical Society, Dalton Transactions","2002","","13","2670","","10.1039/b111462j","","","0.71073","MoKα","","0.0792","0.0537","","","0.1644","0.1861","","","","","","1.054","","","","has coordinates,has disorder","179818","2020-10-21","18:00:00",""
"7011560","35.124","0.005","35.124","0.005","12.095","0.004","90","","90","","120","","12922","5","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H28 Cl2 N4 O10 Pb -","- C24 H28 Cl2 N4 O10 Pb -","- C432 H504 Cl36 N72 O180 Pb18 -","18","1","","Dutta, Bula; Adhikary, Bibhutosh; Bag, Pradip; Flörke, Ulrich; Nag, Kamalaksha","Organized assemblies of lead(ii) complexes of a tetraiminodiphenol macrocyclic ligand: manifestation of weak metal‒anion interactions and the directional influence of anions","Journal of the Chemical Society, Dalton Transactions","2002","","13","2760","","10.1039/b201608g","","","0.71073","MoKα","","0.2748","0.0748","","","0.1429","0.2227","","","","","","0.866","","","","has coordinates","179819","2020-10-21","18:00:00",""
"7011571","35.203","0.005","35.203","0.005","6.526","0.0013","90","","90","","120","","7004","2","200","","200","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H10 Cr N2 O5 -","- C16 H10 Cr N2 O5 -","- C288 H180 Cr18 N36 O90 -","18","1","","Heinze, Katja; Jacob, Volker","Hydrogen bonds in crystals of HO-(N∩N')M(CO)3L complexes: chains, dimers and an unexpected hexamer","Journal of the Chemical Society, Dalton Transactions","2002","","11","2379","","10.1039/b201647h","","","0.71073","MoKα","","0.0809","0.0448","","","0.0933","0.1065","","","","","","1.019","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011659","22.7362","0.0008","22.7362","0.0008","12.3205","0.0007","90","","90","","120","","5515.6","0.4","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H84 Cu8 O12 P6 Se13 -","- C36 H84 Cu8 O12 P6 Se13 -","- C108 H252 Cu24 O36 P18 Se39 -","3","0.166667","","Liu, Chen-Wei; Hung, Chiu-Mine; Wang, Ju-Chung; Keng, Tai-Chiun","Characterization of Cu11(??9-Se)(??3-I)3[Se2P(OR)2]6 (R = Pr, Pri) by X-ray diffraction and multinuclear NMRMetal dialkyl diselenophosphates. Part 6. For part 5, see ref. 21.","Journal of the Chemical Society, Dalton Transactions","2002","","18","3482","","10.1039/b202633n","","","0.71073","MoKα","","0.0702","0.0589","","","0.1532","0.1625","","","","","","1.08","","","","has coordinates","179820","2020-10-21","18:00:00",""
"7012226","28.019","0.0012","28.019","0.0012","23.1774","0.0013","90","","90","","120","","15758","1.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23.75 H45.5 Gd N6 O9.5 -","- C23.75 H40 Gd N6 O9.5 -","- C427.5 H720 Gd18 N108 O171 -","18","1","","Tei, Lorenzo; Blake, Alexander J.; George, Michael W.; Weinstein, Julia A.; Wilson, Claire; Schröder, Martin","Lanthanide complexes of iminocarboxylate ligands derived from 1,4,7-triazacyclononane: structural characterisation and relaxivity of the GdIII and luminescence of the EuIII complexesElectronic supplementary information (ESI) available: 1H NMR spectra of [Y(L1)(CH3CO2)] (6) in D2O at 298 K and 1H NMR data on acid-catalysed hydrolysis of [La(L)] (5) in D2O (pD = 4.4). See http://www.rsc.org/suppdata/dt/b2/b209090m/","Dalton Transactions","2003","","9","1693","","10.1039/b209090m","","","0.71073","MoKα","","0.1058","0.0548","","","0.1203","0.1397","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7012310","14.889","0.0006","14.889","0.0006","15.5697","0.0006","90","","90","","120","","2989.1","0.2","123","2","123","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","[Fe(Tm)2]. 4.5H2O","","","- C24 H41 B2 Fe N12 O4.5 S6 -","- C24 H32 B2 Fe N12 O4.5 S6 -","- C72 H96 B6 Fe3 N36 O13.5 S18 -","3","0.166667","","Garner, Mark; Lewinski, Krzysztof; Pattek-Janczyk, Agnieszka; Reglinski, John; Sieklucka, Barbara; Spicer, Mark D.; Szaleniec, Maciej","Structural and spectroscopic characterisation of bis-ligand complexes of iron(ii), nickel(ii) and nickel(iii) with the hydrotris(methimazolyl)borate anion: soft S6 donor sets generating a weak ligand field","Dalton Transactions","2003","","6","1181","","10.1039/b209877f","","x-ray","0.71073","MoKα","","0.0655","0.0554","","","0.1696","0.177","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012421","31.3014","0.0018","31.3014","0.0018","12.7921","0.0011","90","","90","","120","","10854.3","1.3","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H42 Ag2 F12 N12 O4 Sb2 -","- C36 H42 Ag2 F12.0133 N12 O4 Sb2 -","- C324 H378 Ag18 F108.12 N108 O36 Sb18 -","9","0.5","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Supramolecular structures of {p-C6H4[CH2OCH2C(pz)3]2(AgSbF6)2}\ιnfty : formation of argentamacrocycles and argentachains","Dalton Transactions","2003","","3","285","","10.1039/b210819d","","","0.71073","MoKα","","0.0695","0.0591","","","0.1794","0.1885","","","","","","1.059","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012565","10.7617","0.0011","10.7617","0.0011","24.599","0.003","90","","90","","120","","2467.2","0.5","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Al I3 O6 S6 -","- C12 H36 Al I3 O6 S6 -","- C36 H108 Al3 I9 O18 S18 -","3","0.166667","","Molla-Abbassi, Alireza; Skripkin, Mikhail; Kritikos, Mikael; Persson, Ingmar; Mink, János; Sandström, Magnus","Dimethyl sulfoxide solvates of the aluminium(iii), gallium(iii) and indium(iii) ions. A crystallographic, EXAFS and vibrational spectroscopic studyElectronic supplementary information (ESI) available: normalized X-ray absorption edges, calculated separate contributions of the different scattering paths to the EXAFS oscillations for the dimethyl sulfoxide solvated gallium(iii) and indium(iii) ions in the solid state and solution; correlation between compression ratio (s/h) and bond lengths in [M(dmso)6]3+ complexes; correlation between metal‒oxygen (M‒O) force constants and bond lengths in [M(dmso)6]3+ complexes. See http://www.rsc.org/suppdata/dt/b2/b212140a/","Dalton Transactions","2003","","9","1746","","10.1039/b212140a","","","0.71073","MoKα","","0.1004","0.0676","","","0.1181","0.131","","","","","","1.088","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012566","10.9272","0.0013","10.9272","0.0013","23.868","0.004","90","","90","","120","","2468.1","0.6","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Ga I3 O6 S6 -","- C12 H36 Ga I3 O6 S6 -","- C36 H108 Ga3 I9 O18 S18 -","3","0.166667","","Molla-Abbassi, Alireza; Skripkin, Mikhail; Kritikos, Mikael; Persson, Ingmar; Mink, János; Sandström, Magnus","Dimethyl sulfoxide solvates of the aluminium(iii), gallium(iii) and indium(iii) ions. A crystallographic, EXAFS and vibrational spectroscopic studyElectronic supplementary information (ESI) available: normalized X-ray absorption edges, calculated separate contributions of the different scattering paths to the EXAFS oscillations for the dimethyl sulfoxide solvated gallium(iii) and indium(iii) ions in the solid state and solution; correlation between compression ratio (s/h) and bond lengths in [M(dmso)6]3+ complexes; correlation between metal‒oxygen (M‒O) force constants and bond lengths in [M(dmso)6]3+ complexes. See http://www.rsc.org/suppdata/dt/b2/b212140a/","Dalton Transactions","2003","","9","1746","","10.1039/b212140a","","","0.71073","MoKα","","0.0616","0.0291","","","0.0807","0.1263","","","","","","1.054","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012567","11.3584","0.0017","11.3584","0.0017","21.512","0.004","90","","90","","120","","2403.5","0.7","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 I3 In O6 S6 -","- C12 H36 I3 In O6 S6 -","- C36 H108 I9 In3 O18 S18 -","3","0.166667","","Molla-Abbassi, Alireza; Skripkin, Mikhail; Kritikos, Mikael; Persson, Ingmar; Mink, János; Sandström, Magnus","Dimethyl sulfoxide solvates of the aluminium(iii), gallium(iii) and indium(iii) ions. A crystallographic, EXAFS and vibrational spectroscopic studyElectronic supplementary information (ESI) available: normalized X-ray absorption edges, calculated separate contributions of the different scattering paths to the EXAFS oscillations for the dimethyl sulfoxide solvated gallium(iii) and indium(iii) ions in the solid state and solution; correlation between compression ratio (s/h) and bond lengths in [M(dmso)6]3+ complexes; correlation between metal‒oxygen (M‒O) force constants and bond lengths in [M(dmso)6]3+ complexes. See http://www.rsc.org/suppdata/dt/b2/b212140a/","Dalton Transactions","2003","","9","1746","","10.1039/b212140a","","","0.71073","MoKα","","0.0652","0.0239","","","0.0509","0.0598","","","","","","0.858","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012597","36.84","0.01","36.84","0.01","10.799","0.004","90","","90","","120","","12693","7","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H48 N9 P3 -","- C18 H48 N9 P3 -","- C324 H864 N162 P54 -","18","1","","Bickley, Jamie F.; Bonar-Law, Richard; Lawson, Gavin T.; Richards, Philip I.; Rivals, Frederic; Steiner, Alexander; Zacchini, Stefano","Supramolecular variations on a molecular theme: the structural diversity of phosphazenes (RNH)6P3N3 in the solid state","Dalton Transactions","2003","","7","1235","","10.1039/b212308h","","","0.71073","MoKα","","0.0563","0.0492","","","0.1264","0.132","","","","","","1.054","","","","has coordinates,has disorder","179829","2020-10-21","18:00:00",""
"7012608","17.0685","0.0002","17.0685","0.0002","12.4302","0.0003","90","","90","","120","","3136.17","0.09","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 H6 Cd N0 O6 -","- C3 H6 Cd O6 -","- C54 H108 Cd18 O108 -","18","1","","Vaidhyanathan, Ramanathan; Natarajan, Srinivasan; Rao, C. N. R.","Aliphatic dicarboxylates with three-dimensional metal‒organic frameworks possessing hydrophobic channels","Dalton Transactions","2003","","8","1459","","10.1039/b212314m","","","0.71073","MoKα","","0.0344","0.0336","","0.0901","0.0898","","","","1.443","1.456","1.456","","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012609","11.2944","0.0001","11.2944","0.0001","29.483","0.0004","90","","90","","120","","3257.08","0.06","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5 H6 Mn O4 -","- C5 H6 Mn O4 -","- C90 H108 Mn18 O72 -","18","1","","Vaidhyanathan, Ramanathan; Natarajan, Srinivasan; Rao, C. N. R.","Aliphatic dicarboxylates with three-dimensional metal‒organic frameworks possessing hydrophobic channels","Dalton Transactions","2003","","8","1459","","10.1039/b212314m","","","0.71073","MoKα","","0.0228","0.0205","","0.0507","0.05","","","","1.091","1.131","1.131","","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012733","10.2505","0.0005","10.2505","0.0005","19.2195","0.0009","90","","90","","120","","1748.89","0.15","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mn O13 Te6 -","- Mn O13 Te6 -","- Mn6 O78 Te36 -","6","0.333333","","Irvine, John T. S.; Johnston, Magnus G.; Harrison, William T. A.","Lone-pair containment in closed cavities. The MTe6O13 (M = Mn, Ni, Co) family of ternary oxides","Dalton Transactions","2003","","13","2641","","10.1039/b300573a","","","0.71073","MoKα","","0.0235","0.0216","","","0.051","0.0517","","","","","","1.256","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012734","10.1641","0.0005","10.1641","0.0005","18.9814","0.0009","90","","90","","120","","1698.23","0.14","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Co O13 Te6 -","- Co O13 Te6 -","- Co6 O78 Te36 -","6","0.333333","","Irvine, John T. S.; Johnston, Magnus G.; Harrison, William T. A.","Lone-pair containment in closed cavities. The MTe6O13 (M = Mn, Ni, Co) family of ternary oxides","Dalton Transactions","2003","","13","2641","","10.1039/b300573a","","","0.71073","MoKα","","0.0242","0.0231","","","0.0508","0.0512","","","","","","1.384","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7012735","10.1522","0.0005","10.1522","0.0005","18.8669","0.0009","90","","90","","120","","1684.04","0.14","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ni O13 Te6 -","- Ni O13 Te6 -","- Ni6 O78 Te36 -","6","0.333333","","Irvine, John T. S.; Johnston, Magnus G.; Harrison, William T. A.","Lone-pair containment in closed cavities. The MTe6O13 (M = Mn, Ni, Co) family of ternary oxides","Dalton Transactions","2003","","13","2641","","10.1039/b300573a","","","0.71073","MoKα","","0.0243","0.0222","","","0.0525","0.0532","","","","","","1.264","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013666","29.456","0.003","29.456","0.003","22.728","0.005","90","","90","","120","","17078","4","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C77 H97 N7 O3 P4 S2 -","- C77 H97 N7 O3 P4 S2 -","- C693 H873 N63 O27 P36 S18 -","9","0.5","","Balueva, Anna S.; Kuznetsov, Roman M.; Ignat'eva, Svetlana N.; Karasik, Andrey A.; Gubaidullin, Aidar T.; Litvinov, Igor A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie","Self-assembly of novel macrocyclic aminomethylphosphines with hydrophobic intramolecular cavities.","Dalton transactions (Cambridge, England : 2003)","2004","","3","442","447","10.1039/b311592e","","","0.71073","MoKα","","0.0855","0.0552","","","0.1583","0.1819","","","","","","1","","","","has coordinates,has disorder","179840","2020-10-21","18:00:00",""
"7014469","16.625","0.002","16.625","0.002","21.725","0.005","90","","90","","120","","5200.1","1.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C56 H78 Mo6 N12 O25 -","- C56 H78 Mo6 N12 O25 -","- C168 H234 Mo18 N36 O75 -","3","0.166667","","Guo, Si-Xuan; Xie, Jingli; Gilbert-Wilson, Ryan; Birkett, Stephen L.; Bond, Alan M.; Wedd, Anthony G.","Synthesis and redox properties of triarylmethane dye cation salts of anions [M6O19]2- (M = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","356","366","10.1039/c0dt00882f","","","0.71073","MoKα","","0.0418","0.0409","","","0.1121","0.1131","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7014940","21.7675","0.0014","21.7675","0.0014","37.171","0.003","90","","90","","120","","15252.9","1.9","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H24.67 Cl6 Dy N3 O6.67 -","- C29.6633 H16 Cl6 Dy N3 O6.68 -","- C533.94 H288 Cl108 Dy18 N54 O120.24 -","18","1","","Chen, Zhen-Feng; Song, Xiao-Yan; Peng, Yan; Hong, Xue; Liu, Yan-Cheng; Liang, Hong","High cytotoxicity of dihalo-substituted 8-quinolinolato-lanthanides.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1684","1692","10.1039/c0dt01310b","","","0.71075","MoKα","","0.0537","0.0478","","","0.1176","0.1211","","","","","","1.165","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014941","21.7263","0.0014","21.7263","0.0014","37.099","0.002","90","","90","","120","","15165.8","1.6","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H24.67 Cl6 Er N3 O6.67 -","- C29.6633 H16 Cl6 Er N3 O6.68 -","- C533.94 H288 Cl108 Er18 N54 O120.24 -","18","1","","Chen, Zhen-Feng; Song, Xiao-Yan; Peng, Yan; Hong, Xue; Liu, Yan-Cheng; Liang, Hong","High cytotoxicity of dihalo-substituted 8-quinolinolato-lanthanides.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1684","1692","10.1039/c0dt01310b","","","0.71075","MoKα","","0.0715","0.0534","","","0.1217","0.1322","","","","","","1.105","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7014942","22.246","0.002","22.246","0.002","37.488","0.006","90","","90","","120","","16067","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H24.67 Br6 Gd N3 O6.67 -","- C29.6633 H16 Br6 Gd N3 O6.68 -","- C533.94 H288 Br108 Gd18 N54 O120.24 -","18","1","","Chen, Zhen-Feng; Song, Xiao-Yan; Peng, Yan; Hong, Xue; Liu, Yan-Cheng; Liang, Hong","High cytotoxicity of dihalo-substituted 8-quinolinolato-lanthanides.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1684","1692","10.1039/c0dt01310b","","","0.71075","MoKα","","0.126","0.0801","","","0.171","0.1958","","","","","","1.12","","","","has coordinates,has disorder","179853","2020-10-21","18:00:00",""
"7015181","35.318","0.005","35.318","0.005","11.178","0.002","90","","90","","120","","12075","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","work","","","- C72 H71 Au3 F9 N6 O10 P3 S6 -","- C72 H70.998 Au3 F9 N6 O10 P3 S6 -","- C432 H425.988 Au18 F54 N36 O60 P18 S36 -","6","0.333333","","Coetzee, Jacorien; Cronje, Stephanie; Dobrzańska, Liliana; Raubenheimer, Helgard G.; Jooné, Gisela; Nell, Margo J.; Hoppe, Heinrich C.","Novel N-heterocyclic ylideneamine gold(I) complexes: synthesis, characterisation and screening for antitumour and antimalarial activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1471","1483","10.1039/c0dt01312a","","","0.71073","MoKα","","0.0515","0.0343","","","0.0713","0.0768","","","","","","1.032","","","","has coordinates,has disorder","179855","2020-10-21","18:00:00",""
"7015357","34.3874","0.0012","34.3874","0.0012","10.0836","0.0005","90","","90","","120","","10326.3","0.7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C15 H26 Br2 N6 O Pd -","- C15.056 H18.112 Br2 N6 O0.99 Pd -","- C271.008 H326.016 Br36 N108 O17.82 Pd18 -","18","1","","Hornillos, Valentín; Guerra, Javier; de Cózar, Abel; Prieto, Pilar; Merino, Sonia; Maestro, Miguel A.; Díez-Barra, Enrique; Tejeda, Juan","Synthesis and characterization of metallodendritic palladium-biscarbene complexes derived from 1,1'-methylenebis(1,2,4-triazole).","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4095","4103","10.1039/c0dt01535k","","","0.71073","MoKα","","0.0575","0.0337","","","0.0926","0.1045","","","","","","1.094","","","","has coordinates,has disorder","179857","2020-10-21","18:00:00",""
"7015443","42.1099","0.0011","42.1099","0.0011","13.8971","0.0004","90","","90","","120","","21341.4","1","150","2","150","2","","","","","","","Kevin Mason","6","R -3 :H","-R 3","148","","","","- C81 H98 Br4 Fe8 N10 O21 -","- C72 H74 Br4 Fe8 N10 O18 -","- C648 H666 Br36 Fe72 N90 O162 -","9","0.5","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.089","0.0466","","","0.1083","0.1181","","","","","","0.929","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015762","18.9299","0.0011","18.9299","0.0011","39.504","0.005","90","","90","","120","","12259.4","1.9","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C95 H74 Mn3 O18 -","- C93 H63 Mn3 O16 -","- C558 H378 Mn18 O96 -","6","0.333333","","Taleb, Nassiba; Richards, Victoria J.; Argent, Stephen P.; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Champness, Neil R.","A mixed valence manganese triangle in a trigonal lattice: structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5891","5894","10.1039/c1dt10057b","","","0.71073","MoKα","","0.124","0.0891","","","0.1882","0.2057","","","","","","1.125","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015837","29.171","0.004","29.171","0.004","33.538","0.007","90","","90","","120","","24716","7","150","2","150","2","","","","","","","","10","R -3 :H","-R 3","148","","","","- C6 H76 Dy3 Fe3 K4.5 N6 Na7.5 O137 Si3 W30 -","- C6 H24 Dy3 Fe3 K4.5 N6 Na4 O136.5 Si3 W30 -","- C36 H144 Dy18 Fe18 K27 N36 Na24 O819 Si18 W180 -","6","0.333333","","Zhang, Zhi-Ming; Li, Yang-Guang; Yao, Shuang; Wang, En-Bo","Hexameric polyoxometalates decorated by six 3d-4f heterometallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6475","6479","10.1039/c1dt10133a","","","0.71073","MoKα","","0.1152","0.0644","","","0.129","0.1464","","","","","","1.045","","","","has coordinates,has disorder","290444","2024-03-12","09:55:29",""
"7015859","23.3367","0.0011","23.3367","0.0011","23.501","0.003","90","","90","","120","","11084","1.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","(Cr4(tmp)2Cl6(Bz-iac)2).0.67(MeCN)","","","- C41.33 H50 Cl6 Cr4 N6.67 O6 -","- C41.32 H49.98 Cl6 Cr4 N6.66 O6 -","- C371.88 H449.82 Cl54 Cr36 N59.94 O54 -","9","0.5","","Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.","Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5278","5284","10.1039/c1dt10172b","","","0.71073","MoKα","","0.1024","0.0669","","","0.1811","0.1995","","","","","","1.052","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7016423","40.2231","0.0018","40.2231","0.0018","11.5607","0.0011","90","","90","","120","","16198.2","1.9","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H38 Cl2 Cu N6 O2 -","- C36 H38 Cl2 Cu N6 O2 -","- C648 H684 Cl36 Cu18 N108 O36 -","18","1","","Murtaza, Ghulam; Badshah, Amin; Said, Muhammad; Khan, Hizbullah; Khan, Ajmal; Khan, Samreen; Siddiq, Sadia; Choudhary, M. Iqbal; Boudreau, Josée; Fontaine, Frédéric-Georges","Urease inhibition and anti-leishmanial assay of substituted benzoylguanidines and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9202","9211","10.1039/c1dt10464k","","","0.71073","MoKα","","0.0749","0.0433","","","0.1015","0.1155","","","","","","1.04","","","","has coordinates,has disorder","179868","2020-10-21","18:00:00",""
"7016727","18.0582","0.0008","18.0582","0.0008","18.8851","0.0009","90","","90","","120","","5333.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","(Ni6(6-mpko)6(ac)6)(MeOH)6.H2O","","","- C60 H86 N12 Ni6 O25 -","- C60 H86 N12 Ni6 O25 -","- C180 H258 N36 Ni18 O75 -","3","0.166667","","Escuer, Albert; Vlahopoulou, Gina; Mautner, Franz A.","Use of 6-methylpyridine-2-carbaldehydeoxime in nickel(ii) carboxylate chemistry: synthetic, structural and magnetic properties of penta and hexanuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10109","10116","10.1039/c1dt10657k","","","0.71073","MoKα","","0.0359","0.0306","","","0.0833","0.0956","","","1.09","","","1.098","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016772","27.2418","0.0007","27.2418","0.0007","17.5466","0.0004","90","","90","","120","","11277","0.5","304","2","304","2","","","","","","","","5","R -3 :H","-R 3","148","cyanido-(N,N'-bis(2-oxy-3-ethoxy-benzylidene) -1,6-diamino-4- azahexane)-iron(iii)","cyanido-(N,N'-bis(2-oxy-3-ethoxy-benzylidene) -1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 -","- C24 H29 Fe N4 O4 -","- C432 H522 Fe18 N72 O72 -","18","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.0713","0.0478","","","0.126","0.1635","","","","","","1.18","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016787","18.639","","18.639","","52.333","0.0004","90","","90","","120","","15745.3","0.12","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72 H118 Co8 O49 -","- C72 H94 Co8 O49 -","- C432 H564 Co48 O294 -","6","0.333333","","Chen, Li-Juan; Su, Jiang-Bo; Huang, Rong-Bin; Lin, Shen; Yang, Ming-Xing; Huang, Hua","A tri-layer structure consisting of novel heptacobaltate clusters and single cobalt centers bridged by 5-tert-butyl isophthalate.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9731","9736","10.1039/c1dt10723b","","","0.71073","MoKα","","0.0794","0.0585","","","0.1862","0.2082","","","","","","1.048","","","","has coordinates,has disorder","179871","2020-10-21","18:00:00",""
"7016912","29.8269","0.0016","29.8269","0.0016","15.6504","0.0011","90","","90","","120","","12057.9","1.2","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H18 Br N4 O5 Re -","- C21 H16 Br N4 O5 Re -","- C378 H288 Br18 N72 O90 Re18 -","18","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.1045","0.082","","","0.1731","0.1822","","","","","","1.211","","","","has coordinates,has disorder","179873","2020-10-21","18:00:00",""
"7016999","20.2022","0.001","20.2022","0.001","27.387","0.003","90","","90","","120","","9679.9","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H110 Cl2 Co7 N24 O33 -","- C96 H110 Cl2 Co7 N24 O33 -","- C288 H330 Cl6 Co21 N72 O99 -","3","0.166667","","Zhang, Shu-Hua; Ma, Lu-Fang; Zou, Hua-Hong; Wang, Yin Guang; Liang, Hong; Zeng, Ming Hua","Anion induced diversification from heptanuclear to tetranuclear clusters: Syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11402","11409","10.1039/c1dt10517e","","","0.71073","MoKα","","0.0993","0.0659","","","0.1784","0.2176","","","","","","1.053","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017152","26.0272","0.0003","26.0272","0.0003","11.0746","0.0002","90","","90","","120","","6497.01","0.16","103","2","103","2","","","","","","","","7","R -3 :H","-R 3","148","catena-(bis(mu-1,2,4-triazolo(1,5-a)pyrimidine)disilver(i)) bis(hexafluorophosphate) hexahydrate","catena-[bis(μ-1,2,4-triazolo[1,5-a]pyrimidine)disilver(I)] bis(hexafluorophosphate) hexahydrate","","- C5 H4 Ag F6 N4 O0.12 P -","- C5 H4 Ag F6 N4 O0.121 P -","- C90 H72 Ag18 F108 N72 O2.178 P18 -","18","1","","Caballero, Ana B.; Maclaren, Jana K.; Rodríguez-Diéguez, Antonio; Vidal, Isaac; Dobado, Jose A.; Salas, Juan M.; Janiak, Christoph","Dinuclear silver(i) complexes for the design of metal-ligand networks based on triazolopyrimidines.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11845","11855","10.1039/c1dt10603a","","","0.71073","MoKα","","0.0309","0.0256","","","0.0612","0.063","","","","","","1.066","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017387","16.655","0.009","16.655","","29.156","0.013","90","","90","","120","","7004","5","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H45 Cl9 Ir N3 -","- C51 H45 Cl9 Ir N3 -","- C306 H270 Cl54 Ir6 N18 -","6","0.333333","","St-Pierre, Gabriel; Ladouceur, Sébastien; Fortin, Daniel; Zysman-Colman, Eli","Fraternal twin iridium hemicage chelates.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11726","11731","10.1039/c1dt11236h","","","0.71073","MoKα","","0.0892","0.0678","","","0.1633","0.1729","","","","","","0.994","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017517","19.755","0.003","19.755","0.003","53.209","0.011","90","","90","","120","","17983","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C96 H96 N12 Nd2 O33 -","- C96 H96 N12 Nd2 O33 -","- C576 H576 N72 Nd12 O198 -","6","0.333333","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.0642","0.0473","","","0.1411","0.1507","","","","","","1.068","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017518","19.682","0.005","19.682","0.005","53.28","0.03","90","","90","","120","","17874","12","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C96 H96 Eu2 N12 O33 -","- C96 H96 Eu2 N12 O33 -","- C576 H576 Eu12 N72 O198 -","6","0.333333","","Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng","Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1765","1775","10.1039/c1dt10931f","","","0.71073","MoKα","","0.1317","0.0712","","","0.2049","0.2666","","","","","","1.043","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017532","24.571","0.005","24.571","0.005","10.92","0.005","90","0.005","90","0.005","120","0.005","5710","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H20 N2 Ni O2 S2 -","- C9 H20 N2 Ni O2 S2 -","- C162 H360 N36 Ni18 O36 S36 -","18","1","","Hosler, Erik R.; Herbst, Robert W.; Maroney, Michael J.; Chohan, Balwant S.","Exhaustive oxidation of a nickel dithiolate complex: some mechanistic insights en route to sulfate formation.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","804","816","10.1039/c1dt11032b","","","0.71069","MoKα","","0.0468","0.0293","","","0.0693","0.0798","","","","","","0.808","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017847","49.204","0.002","49.204","0.002","15.0273","0.0007","90","","90","","120","","31507","2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C234 H310 N36 O292 Sb6 V19 W66 -","- C234 H306 N36 O292 Sb6 V19 W66 -","- C702 H918 N108 O876 Sb18 V57 W198 -","3","0.166667","","Han, Zhangang; Zhang, Qixia; Gao, Yuanzhe; Wu, Jingjing; Zhai, Xueliang","Novel hexagonal {V=O}6-containing sandwich-type cluster accompanied by in situ carbon-carbon bond formation of organic cations.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1332","1337","10.1039/c1dt11527h","","","0.71073","MoKα","","0.0686","0.0519","","","0.1419","0.1546","","","","","","1.034","","","","has coordinates","179882","2020-10-21","18:00:00",""
"7017901","26.4506","0.0003","26.4506","0.0003","24.4412","0.0008","90","","90","","120","","14808.9","0.5","140","","140","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C64 H64 Cu2 I2 N2 O4 P2 -","- C64 H64 Cu2 I2 N2 O4 P2 -","- C576 H576 Cu18 I18 N18 O36 P18 -","9","0.5","","Beck, John F.; Schmidt, Joseph A. R.","Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","860","870","10.1039/c1dt11629k","","","0.71073","MoKα","","0.0789","0.0407","","","0.1391","0.155","","","","","","1.037","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017956","5.312","0.003","5.312","0.003","32.66","0.02","90","","90","","120","","798.1","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C Ag F3 O3 S -","- C Ag F3 O3 S -","- C6 Ag6 F18 O18 S6 -","6","0.333333","","Grochala, Wojciech; Cyrański, Michał Ksawery; Derzsi, Mariana; Michałowski, Tomasz; Malinowski, Przemysław J; Mazej, Zoran; Kurzydłowski, Dominik; Koźmiński, Wiktor; Budzianowski, Armand; Leszczyński, Piotr J","Crystal and electronic structure, lattice dynamics and thermal properties of Ag(i)(SO(3))R (R = F, CF(3)) Lewis acids in the solid state.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2034","2047","10.1039/c1dt11747e","","","0.71073","MoKα","","0.101","0.0409","","","0.0534","0.0594","","","","","","0.773","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017961","32.6021","0.0011","32.6021","0.0011","14.0691","0.0005","90","","90","","120","","12950.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","Cp*Ir(mu-NtBu)(mu-N3Ph)HfCp2","","","- C23.25 H30 Hf0.75 Ir0.75 N3 -","- C23.265 H30.015 Hf0.75 Ir0.75 N3 -","- C558.36 H720.36 Hf18 Ir18 N72 -","24","1.33333","","Curley, John J.; Bergman, Robert G.; Tilley, T. Don","Preparation and physical properties of early-late heterobimetallic compounds featuring Ir-M bonds (M = Ti, Zr, Hf).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","192","200","10.1039/c1dt11753j","","","0.71073","MoKα","","0.0391","0.0242","","","0.0375","0.0408","","","","","","1.034","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"7018016","23.7421","0.0002","23.7421","0.0002","24.7699","0.0003","90","","90","","120","","12091.9","0.2","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H159 Al12 B65 N12 O153 -","- C30 Al12 B65 N12 O153 -","- C90 Al36 B195 N36 O459 -","3","0.166667","","Wang, Guo-Ming; Li, Jin-Hua; Wang, Pei; Li, Zeng-Xin; Wang, Ying-Xia; Wang, Zhe-Ming; Lin, Jian-Hua","Synthesis and structure of QD-6: a novel aluminoborate constructed from unprecedented [B@Al6O24] and polyborate clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","734","736","10.1039/c1dt11929j","","","0.71073","MoKα","","0.0861","0.057","","","0.1633","0.1766","","","","","","1.049","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018026","10.1012","0.0001","10.1012","0.0001","28.4343","0.0007","90","","90","","120","","2512.58","0.07","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 N6 O P -","- C15 H15 N6 O P -","- C90 H90 N36 O6 P6 -","6","0.333333","","Gupta, Arvind K.; Chipem, Francis A. S.; Boomishankar, Ramamoorthy","A 2-pyridyl (py) attached phosphine imine [P(Npy)(NHpy)(3)] and an imido phosphinate ion [P(Npy)(2)(NHpy)(2)](-) in its Ag(i) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1848","1853","10.1039/c1dt12004b","","","0.71073","MoKα","","0.0442","0.0421","","","0.1346","0.1367","","","","","","1.153","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018570","26.0951","0.0028","26.0951","","6.8945","0.0011","90","","90","","120","","4065.8","0.8","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D1.33 Fe O3 -","- C4 H D1.33 Fe O3 -","- C72 H18 D23.94 Fe18 O54 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018571","26.1021","0.0028","26.1021","","6.9107","0.0012","90","","90","","120","","4077.6","0.8","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D4.32 Fe O3 -","- C4 H D4.32 Fe O3 -","- C72 H18 D77.76 Fe18 O54 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018572","25.9689","0.0015","25.9689","","6.8209","0.0009","90","","90","","120","","3983.6","0.6","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D0.53 Fe O4.05 -","- C4 H D0.53 Fe O4.06 -","- C72 H18 D9.54 Fe18 O73.08 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018573","25.9612","0.0014","25.9612","","6.8377","0.0007","90","","90","","120","","3991.1","0.5","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D1.27 Fe O4.07 -","- C4 H D1.27 Fe O4.08 -","- C72 H18 D22.86 Fe18 O73.44 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018574","25.9572","0.0014","25.9572","","6.843","0.0008","90","","90","","120","","3992.9","0.5","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D2.33 Fe O3.91 -","- C4 H D2.33 Fe O3.9 -","- C72 H18 D41.94 Fe18 O70.2 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018575","25.9538","0.0015","25.9538","","6.8539","0.0009","90","","90","","120","","3998.3","0.6","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H D4.12 Fe O3.88 -","- C4 H D4.11 Fe O3.88 -","- C72 H18 D73.98 Fe18 O69.84 -","18","1","","Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.","Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4180","4187","10.1039/c2dt12138g","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018661","31.919","0.004","31.919","","18.413","0.002","90","","90","","120","","16246","3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H28 Cl3 Co N6 O14 -","- C23 H24 Cl3 Co N6 O13 -","- C414 H432 Cl54 Co18 N108 O234 -","18","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.71073","MoKα","","0.124","0.0958","","","0.2972","0.3204","","","","","","1.2","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7018746","40.6731","0.0002","40.6731","0.0002","9.535","0.0004","90","","90","","120","","13660.5","0.6","150","1","150","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.67 H44.67 Cl Ge N2 O0.17 -","- C29 H43 Cl Ge N2 -","- C522 H774 Cl18 Ge18 N36 -","18","1","","Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš","Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","5010","5019","10.1039/c2dt12472f","","","0.71073","MoKα","","0.1127","0.0675","","","0.121","0.1372","","","","","","1.076","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018956","12.5761","0.0005","12.5761","0.0005","17.6463","0.0009","90","","90","","120","","2417","0.18","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Al2 F12 N24 Zn3 -","- C12 H24 Al2 F12 N24 Zn3 -","- C36 H72 Al6 F36 N72 Zn9 -","3","0.166667","","Martineau, Charlotte; Cadiau, Amandine; Bouchevreau, Boris; Senker, Jürgen; Taulelle, Francis; Adil, Karim","SMARTER crystallography of the fluorinated inorganic‒organic compound Zn3Al2F12·[HAmTAZ]6","Dalton Transactions","2012","41","20","6232","","10.1039/c2dt30100h","","","0.71073","MoKα","","0.0233","0.0216","","","0.0583","0.0593","","","","","","1.083","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018986","27.518","0.004","27.518","0.004","12.172","0.002","90","","90","","120","","7982","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H10 Cl Co2 N5 O5 -","- C12 H8 Cl Co2 N5 O5 -","- C216 H144 Cl18 Co36 N90 O90 -","18","1","","Yang, Qian; Zhao, Jiong-Peng; Song, Wei-Chao; Bu, Xian-He","Two azido-bridged cobalt(ii) coordination polymers with nicotinate co-ligand: synthesis, structures and magnetic properties","Dalton Transactions","2012","41","20","6272","","10.1039/c2dt30262d","","","0.71073","MoKα","","0.0945","0.0767","","","0.184","0.1929","","","","","","1.161","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019048","20.799","0.004","20.799","0.004","47.18","0.005","90","","90","","120","","17676","5","113","2","113","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C94.4 H58.4 Cl31.2 Cu6 I6 N24 -","- C84 H48 Cu6 I6 N24 -","- C504 H288 Cu36 I36 N144 -","6","0.333333","","Zhao, Qiang; Liu, Xiu-Ming; Song, Wei-Chao; Bu, Xian-He","Valence-induced assembly of Cu(I)-Cu(II) ions into different discrete coordination architectures by a disk-shaped polypyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6683","6688","10.1039/c2dt00002d","","","0.71073","MoKα","","0.0696","0.0637","","","0.1525","0.1561","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019109","36.376","0.005","36.376","0.005","9.342","0.0007","90","","90","","120","","10705","2","293","2","293","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C19 H21 Fe N6 O2 S4 -","- C16 H15 Fe N6 O S4 -","- C288 H270 Fe18 N108 O18 S72 -","18","1","","Basha, Maram T.; Chartres, Jy D.; Pantarat, Namfon; Akbar Ali, Mohammad; Mirza, Aminul Huq; Kalinowski, Danuta S.; Richardson, Des R.; Bernhardt, Paul V.","Heterocyclic dithiocarbazate iron chelators: Fe coordination chemistry and biological activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6536","6548","10.1039/c2dt12387h","","x-ray","0.71073","MoKα","","0.1707","0.0933","","","0.216","0.2546","","","","","","0.949","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019148","19.315","0.002","19.315","0.002","24.872","0.003","90","","90","","120","","8035.8","1.5","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51.5 H83 Li3 N6 O3.5 -","- C51.51 H81 Li3 N6 O3.51 -","- C309.06 H486 Li18 N36 O21.06 -","6","0.333333","","Ikpo, Nduka; Hoffmann, Christian; Dawe, Louise N.; Kerton, Francesca M.","Ring-opening polymerization of ε-caprolactone by lithium piperazinyl-aminephenolate complexes: synthesis, characterization and kinetic studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6651","6660","10.1039/c2dt30276d","","","0.71075","MoKα","","0.0596","0.0589","","","0.167","0.1677","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019200","13.1978","0.0011","13.1978","0.0011","25.081","0.003","90","","90","","120","","3783.4","0.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H68 Br2 N12 O22 Rh6 -","- C24 H48 Br2 N12 O22 Rh6 -","- C72 H144 Br6 N36 O66 Rh18 -","3","0.166667","","Fuma, Yasuhiro; Miyashita, Osamu; Kawamura, Takashi; Ebihara, Masahiro","Change of electrical conductivities between hydrated and dehydrated samples of honeycomb sheet structures with mixed oxidation state paddlewheel dirhodium complexes and halide ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8242","8251","10.1039/c2dt11609j","","","0.71069","MoKα","","0.058","0.0455","","","0.0699","0.0726","","","","","","1.242","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019201","13.4834","0.0013","13.4834","0.0013","24.801","0.004","90","","90","","120","","3904.8","0.8","118","2","118","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H68 I2 N12 O22 Rh6 -","- C24 H48 I2 N12 O22 Rh6 -","- C72 H144 I6 N36 O66 Rh18 -","3","0.166667","","Fuma, Yasuhiro; Miyashita, Osamu; Kawamura, Takashi; Ebihara, Masahiro","Change of electrical conductivities between hydrated and dehydrated samples of honeycomb sheet structures with mixed oxidation state paddlewheel dirhodium complexes and halide ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8242","8251","10.1039/c2dt11609j","","","0.71069","MoKα","","0.0826","0.053","","","0.0862","0.0924","","","","","","1.2","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019316","13.334","0.003","13.334","0.003","31.203","0.006","90","","90","","120","","4804.5","1.8","223.1","","223","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H36 Mo Na O6 S3 -","- C30 H36 Mo Na O6 S3 -","- C180 H216 Mo6 Na6 O36 S18 -","6","0.333333","","Matsumoto, Takeshi; Wakizaka, Masanori; Yano, Hirokazu; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [Mo(V)(1,2-mercaptophenolato)(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8303","8315","10.1039/c2dt30178d","","","0.7107","MoKα","","","0.0688","","","","0.2264","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019469","20.7351","0.0011","20.7351","0.0011","30.114","0.0018","90","","90","","120","","11212.7","1.1","143","1","143","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H72 Ce Li3 N6 O6 -","- C90 H72 Ce Li3 N6 O6 -","- C540 H432 Ce6 Li18 N36 O36 -","6","0.333333","","Levin, Jessica R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.","Lanthanide(iii) 2-naphthoxide complexes stabilized by interligand non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7870","7872","10.1039/c2dt30445g","","","0.71073","MoKα","","0.0324","0.0277","","","0.0657","0.0698","","","","","","1.055","","","","has coordinates,has disorder","179898","2020-10-21","18:00:00",""
"7019556","22.6999","0.0003","22.6999","0.0003","53.1241","0.0012","90","","90","","120","","23706.6","0.7","123","1","123","1","","","","","","","","5","R -3 :H","-R 3","148","","hexa(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine-F,N,N') -tris-fluoro-trislanthanum(iii) toluene solvate","","- C70.5 H78 F27 La3 N12 -","- C70.5 H78 F27 La3 N12 -","- C846 H936 F324 La36 N144 -","12","0.666667","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.0928","0.0515","","","0.1213","0.1577","","","","","","1.173","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019558","22.712","0.003","22.712","0.003","53.514","0.011","90","","90","","120","","23906","7","123","1","123","1","","","","","","","","5","R -3 :H","-R 3","148","hexa(N,N-dimethyl-N'-(2,3,5,6- tetrafluorophenyl)ethylenediamine-F,N,N') -tris-fluoro-triscerium(iii) toluene solvate","hexa(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine-F,N,N') -tris-fluoro-triscerium(iii) toluene solvate","","- C70.5 H78 Ce3 F27 N12 -","- C70.5 H78 Ce3 F27 N12 -","- C846 H936 Ce36 F324 N144 -","12","0.666667","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.1573","0.0641","","","0.1438","0.1894","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019616","21.0729","0.0012","21.0729","0.0012","24.0603","0.0018","90","","90","","120","","9253","1","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","[(NONO)3Zn10]","","","- C48 H84 N6 O10 Zn10 -","- C48 H84 N6 O10 Zn10 -","- C288 H504 N36 O60 Zn60 -","6","0.333333","","Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.","A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8361","8367","10.1039/c2dt30715d","","","1.54184","CuKα","","0.0517","0.0313","","","0.0623","0.0683","","","","","","0.985","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019650","18.22","0.003","18.22","0.003","24.71","0.005","90","","90","","120","","7104","2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H18 Mo12 N3 O46 P -","- C18 H18 Mo12 N3 O46 P -","- C108 H108 Mo72 N18 O276 P6 -","6","0.333333","","Chen, Xiang-Yi; Chen, Yi-Ping; Xia, Ze-Min; Hu, Heng-Bin; Sun, Yan-Qiong; Huang, Wei-Yuan","Synthesis, crystal structure of α-Keggin heteropolymolybdates with pyridine-2,6-dicarboxylate based frameworks, and associated RhB photocatalytic degradation and 2D-IR COS tests.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","10035","10042","10.1039/c2dt00001f","","","0.71073","MoKα","","0.0611","0.0608","","","0.1518","0.152","","","","","","1","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019731","30.7555","0.0009","30.7555","0.0009","7.3013","0.0004","90","","90","","120","","5981","0.4","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H15 N2 Na O5 -","- C11 H15 N2 Na O5 -","- C198 H270 N36 Na18 O90 -","18","1","","Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash","Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9192","9201","10.1039/c2dt30322a","","","0.71073","MoKα","","0.0513","0.0386","","","0.1026","0.1192","","","","","","1.091","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019860","26.515","0.007","26.515","0.007","20.941","0.006","90","","90","","120","","12750","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.11 H28 Br Cl0.17 N2 Ni P0.33 -","- C30.0833 H28 Br Cl0.17 N2 Ni P0.333333 -","- C541.5 H504 Br18 Cl3.06 N36 Ni18 P6 -","18","1","","Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying","Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9639","9645","10.1039/c2dt30778b","","","0.71073","MoKα","","0.196","0.0824","","","0.2038","0.2539","","","","","","0.953","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019921","12.9616","0.0009","12.9616","0.0009","38.84","0.003","90","","90","","120","","5651","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","(HTa(N(CH2tBu)Ar)3)2","","","- C78 H124 N6 Ta2 -","- C78 H123.96 N6 Ta2 -","- C234 H371.88 N18 Ta6 -","3","0.166667","","Rankin, Matthew A.; Cummins, Christopher C.","Terminal phosphinidene formation via tantalaziridine complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9615","9618","10.1039/c2dt31082a","","","0.71073","MoKα","","0.0236","0.0215","","","0.0515","0.0529","","","","","","1.105","","","","has coordinates,has disorder","179903","2020-10-21","18:00:00",""
"7020288","21.2224","0.0004","21.2224","0.0004","28.017","0.0007","90","","90","","120","","10928","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C46 H52 Cl4 N6 Pd2 -","- C46 H52 Cl4 N6 Pd2 -","- C414 H468 Cl36 N54 Pd18 -","9","0.5","","Yang, Jin; Wang, Lei","Synthesis and characterization of dinuclear NHC-palladium complexes and their applications in the Hiyama reactions of aryltrialkyoxysilanes with aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12031","12037","10.1039/c2dt31174g","","","0.71073","MoKα","","0.0355","0.0286","","","0.076","0.0795","","","","","","1.086","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020531","14.559","0.0003","14.559","0.0003","17.5926","0.0006","90","","90","","120","","3229.41","0.14","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H54 Al2 N6 Sn2 Yb -","- C42 H54 Al2 N6 Sn2 Yb -","- C126 H162 Al6 N18 Sn6 Yb3 -","3","0.166667","","Zeckert, Kornelia","Syntheses and structures of lanthanoid(ii) complexes featuring Sn-M (M = Al, Ga, In) bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14101","14106","10.1039/c2dt31768k","","","0.71073","MoKα","","0.0192","0.0165","","","0.0451","0.0456","","","","","","1.093","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020703","57.3214","0.0015","57.3214","0.0015","15.4613","0.0005","90","","90","","120","","43996","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39.75 H27.25 N6 O10 Zn4 -","- C39.75 H27.25 N6 O10 Zn4 -","- C1431 H981 N216 O360 Zn144 -","36","2","","Kielland, Nicola; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Kleij, Arjan W.","Unsymmetrical octanuclear Schiff base clusters: synthesis, characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1427","1436","10.1039/c2dt31723k","","","0.71073","MoKα","","0.0766","0.0643","","","0.1724","0.1815","","","","","","1.046","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020846","25.9972","0.0011","25.9972","0.0011","6.2587","0.0003","90","","90","","120","","3663.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11.17 H18.02 Cu2 N0.25 O10 -","- C11.1666 H2 Cu2 N0.25 O10 -","- C100.499 H18 Cu18 N2.25 O90 -","9","0.5","","Sanz, Raúl; Martínez, Fernando; Orcajo, Gisela; Wojtas, Lukasz; Briones, David","Synthesis of a honeycomb-like Cu-based metal-organic framework and its carbon dioxide adsorption behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2392","2398","10.1039/c2dt32138f","","","1.54178","CuKα","","0.0689","0.0454","","","0.1107","0.1198","","","","","","0.994","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020868","32.6869","0.0018","32.6869","0.0018","73.762","0.004","90","","90","","120","","68251","6","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C68 H1012 Mo60 N68 Na4 O764 S60 W72 -","- Mo60 O654.98 S60 W72 -","- Mo180 O1964.94 S180 W216 -","3","0.166667","","Schäffer, Christian; Todea, Ana Maria; Bögge, Hartmut; Floquet, Sébastien; Cadot, Emmanuel; Korenev, Vladimir S.; Fedin, Vladimir P.; Gouzerh, Pierre; Müller, Achim","A further step towards tuning the properties of metal-chalcogenide nanocapsules by replacing skeletal oxide by sulphide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","330","333","10.1039/c2dt32247a","","","0.71073","MoKα","","0.0998","0.0624","","","0.1324","0.1591","","","","","","1.081","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020983","35.2552","0.0011","35.2552","0.0011","11.7244","0.0003","90","","90","","120","","12620.2","0.6","140","1","140","1","","","","","","","","4","R -3 :H","-R 3","148","Compound 1","","","- C32 H26 Li2 O8 -","- C32 H26 Li2 O7.60333 -","- C576 H468 Li36 O136.86 -","18","1","","Redshaw, Carl; Rowe, Oliver; Hughes, David L.; Fuller, Anna-Marie; Ibarra, Ilich A.; Humphrey, Simon M.","New structural motifs in lithium and zinc calix[4]arene chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1983","1986","10.1039/c2dt32986g","","","0.71073","Mo-Kα","","0.0857","0.0566","","","0.1587","0.1702","","","","","","0.99","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7021018","32.466","0.003","32.466","0.003","13.2855","0.0018","90","","90","","120","","12127","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H144 Cu6 N24 O18 -","- C186 H144 Cu6 N24 O18 -","- C558 H432 Cu18 N72 O54 -","3","0.166667","","Zhang, Li; Xu, Guan-Cheng; Yang, Yun; Guo, Ji-Xi; Jia, Dian-Zeng","Syntheses, structure diversity and properties of complexes with 4-acyl pyrazolone salicylidene hydrazide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4248","4257","10.1039/c2dt32641h","","","0.71073","MoKα","","0.0854","0.0583","","","0.1421","0.1563","","","","","","0.929","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021036","22.5011","0.0013","22.5011","0.0013","18.1552","0.0013","90","","90","","120","","7960.5","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H34 Cl4 N2 O2 Ti -","- C32 H34 Cl4 N2 O2 Ti -","- C288 H306 Cl36 N18 O18 Ti9 -","9","0.5","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.7","Synchrotron","","0.1054","0.0787","","","0.2099","0.229","","","","","","1.092","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021096","30.7627","0.0005","30.7627","0.0005","17.9693","0.0003","90","","90","","120","","14726.9","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H25 Ho N4 O9 -","- C38 H25 Ho N4 O9 -","- C684 H450 Ho18 N72 O162 -","18","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","1.54184","CuKα","","0.0323","0.0299","","","0.0869","0.0887","","","","","","1.069","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021104","31.18","0.03","31.18","0.03","18.229","0.019","90","","90","","120","","15348","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H25 N4 O9 Sm -","- C38 H25 N4 O9 Sm -","- C684 H450 N72 O162 Sm18 -","18","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.1054","0.0568","","","0.1292","0.1514","","","","","","1.006","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021105","30.87","0.008","30.87","0.008","17.963","0.004","90","","90","","120","","14825","6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H25 N4 O9 Tb -","- C38 H25 N4 O9 Tb -","- C684 H450 N72 O162 Tb18 -","18","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0411","0.0266","","","0.0608","0.065","","","","","","1.047","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021224","33.1757","0.0009","33.1757","0.0009","24.6314","0.0013","90","","90","","120","","23477.9","1.5","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cu12 Mo48 N12 O307 P4 -","- C84 H102 Cu12 Mo48 N12 O307 P4 -","- C252 H306 Cu36 Mo144 N36 O921 P12 -","3","0.166667","","Xu, Yanqing; Gao, Yuanzhe; Wei, Wei; Wang, Zhiqin; Li, Shan; Hu, Changwen","An unprecedented polyoxometalate-based hybrid solid constructed from a neutral metal-organic macrocycle and Dawson polyoxotungstate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5228","5231","10.1039/c3dt32991g","","","0.71073","MoKα","","0.0809","0.0736","","","0.2079","0.2155","","","","","","1.071","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021236","16.09","0.005","16.09","0.005","29.132","0.005","90","0.005","90","0.005","120","0.005","6532","3","130","0.1","130","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H108 Ag8 B Cl Cu6 F4 -","- C72 H108 Ag8 Cl Cu6 -","- C216 H324 Ag24 Cl3 Cu18 -","3","0.166667","","Connell, Timothy U.; Sandanayake, Saman; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J; Donnelly, Paul S.; Williams, Spencer J.","Halide-ion-templated Ag8Cu6 rhombic dodecahedrons: synthesis, structure and reactivity of [Ag8Cu6(C[triple bond, length as m-dash]CtBu)12X]BF4 (X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4903","4907","10.1039/c3dt33027c","","","0.7107","MoKα","","0.0456","0.0405","","","0.1098","0.1142","","","","","","1.029","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021237","16.0762","0.0006","16.0762","0.0006","29.2165","0.0017","90","","90","","120","","6539.2","0.5","130","0.1","130","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H108 Ag8 B Br Cu6 F4 -","- C72 H108 Ag8 Br Cu6 -","- C216 H324 Ag24 Br3 Cu18 -","3","0.166667","","Connell, Timothy U.; Sandanayake, Saman; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J; Donnelly, Paul S.; Williams, Spencer J.","Halide-ion-templated Ag8Cu6 rhombic dodecahedrons: synthesis, structure and reactivity of [Ag8Cu6(C[triple bond, length as m-dash]CtBu)12X]BF4 (X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4903","4907","10.1039/c3dt33027c","","","0.7107","MoKα","","0.0626","0.0473","","","0.147","0.158","","","","","","1.144","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021994","15.492","0.004","15.492","0.004","19.782","0.005","90","","90","","120","","4111.6","1.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H36 N3 O3 Tl -","- C28 H36 N3 O3 Tl -","- C168 H216 N18 O18 Tl6 -","6","0.333333","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0508","0.0383","","","0.0873","0.0927","","","","","","1.03","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022353","40.832","0.006","40.832","0.006","15.26","0.004","90","","90","","120","","22034","7","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H60 N4 O16 Pd5 -","- C34 H60 N4 O16 Pd5 -","- C612 H1080 N72 O288 Pd90 -","18","1","","Shishilov, Oleg N.; Akhmadullina, Nailya S.; Rezinkova, Yaroslavna N.; Podobedov, Roman E.; Churakov, Andrei V.; Efimenko, Inessa A.","Reactivity of polynuclear palladium carboxylate complexes towards acetonitrile: synthesis and X-ray study of Pd2(C6H4-o-C(=NH)CH3)2(CH3CO2)2 and Pd5(CH3C(=N)OC(=N)CH3)(NO)(NO2)x(RCO2)7-x.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3712","3720","10.1039/c2dt32407e","","","0.71073","MoKα","","0.161","0.0614","","","0.1213","0.1443","","","","","","0.857","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022365","33.5538","0.0005","33.5538","0.0005","15.3505","0.0003","90","","90","","120","","14967.1","0.4","125","2","125","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H16 Co F4 N5 O6 -","- C27 H16 Co F4 N5 O6 -","- C486 H288 Co18 F72 N90 O108 -","18","1","","Zhang, Shi-Yuan; Shi, Wei; Ma, Jian-Gong; Zhang, Yu-Qi; Zhang, Zhen-Jie; Cheng, Peng","Hydrothermal synthesis of an ortho-metallated Co(III) complex anchored by a carboxylate group with a selective oxidation catalytic property.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4313","4318","10.1039/c2dt32468g","","","0.71073","MoKα","","0.0545","0.0454","","","0.1444","0.1498","","","","","","1.112","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022608","31.3066","0.0017","31.3066","0.0017","8.0145","0.0004","90","","90","","120","","6802.7","0.6","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 F3 N2 O -","- C19 H13 F3 N2 O -","- C342 H234 F54 N36 O18 -","18","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.0352","0.0311","","","0.0858","0.0895","","","","","","1.028","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022759","15.4951","0.0012","15.4951","0.0012","27.816","0.002","90","","90","","120","","5783.8","0.8","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","6","","","- C12 H22 B N -","- C12 H22 B N -","- C216 H396 B18 N18 -","18","1","","Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4625","4632","10.1039/c3dt32988g","","","0.71073","MoKα","","0.0506","0.0406","","","0.1038","0.1114","","","","","","1.052","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022784","15.313","0.002","15.313","0.002","43.69","0.01","90","","90","","120","","8872","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H144 Ag6 N6 O18 S6 -","- C96 H144 Ag6 N6 O18 S6 -","- C288 H432 Ag18 N18 O54 S18 -","3","0.166667","","Barreiro, Elena; Casas, José S; Couce, María D; Laguna, Antonio; López-de-Luzuriaga, José M; Monge, Miguel; Sánchez, Agustin; Sordo, José; Vázquez López, Ezequiel M","A novel hexanuclear silver(I) cluster containing a regular Ag6 ring with short Ag-Ag distances and an argentophilic interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5916","5923","10.1039/c3dt33003f","","","0.71073","MoKα","","0.1754","0.0519","","","0.0988","0.1202","","","","","","0.743","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022956","14.02463","0.00007","14.02463","","25.0329","0.0002","90","","90","","120","","4264.07","0.04","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","2","","","- C8 N2 O12 P4 Zr -","- C8 N2 O12 P4 Zr -","- C72 N18 O108 P36 Zr9 -","9","0.5","","Taddei, Marco; Vivani, Riccardo; Costantino, Ferdinando","On the role of non-covalent interactions in the assembly of 3D zirconium methyl- and ethyl-N,N-bis phosphonates.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9671","9678","10.1039/c3dt50400j","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0688","","3.11","","","","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7023238","35.6139","0.0006","35.6139","0.0006","11.4732","0.0001","90","","90","","120","","12602.4","0.3","295","","295","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C54 H56 Cl Cu4 N8 Na O12 -","- C54 H56 Cl Cu4 N8 Na O12 -","- C486 H504 Cl9 Cu36 N72 Na9 O108 -","9","0.5","","Sarkar, Avijit; Paital, Alok Ranjan; Khan, Rais Ahmad; Arjmand, Farukh; Bertolasi, Valerio; Mathonière, Corine; Clérac, Rodolphe; Ray, Debashis","Ligand dependent self-assembly of hydroxido-bridged dicopper units templated by sodium ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12495","12506","10.1039/c3dt51095f","","","0.71073","MoKα","","0.0599","0.0427","","","0.1199","0.1356","","","","","","1.047","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023271","18.3607","0.0006","18.3607","0.0006","27.8834","0.0011","90","","90","","120","","8140.6","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H23 B N2 -","- C22 H23 B N2 -","- C396 H414 B18 N36 -","18","1","","Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A.; Fox, Mark A.","C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10982","10996","10.1039/c3dt51125a","","","0.71073","MoKα","","0.1024","0.0489","","","0.0992","0.1238","","","","","","1.009","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023782","46.159","0.002","46.159","0.002","13.0682","0.0006","90","","90","","120","","24113.4","1.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H78 Au4 N8 O5 P4 -","- C40 H68 Au4 N8 O4 P4 -","- C720 H1224 Au72 N144 O72 P72 -","18","1","","Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14963","14966","10.1039/c3dt52105b","","","0.71073","MoKα","","0.1169","0.0753","","","0.1693","0.1832","","","","","","1.048","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023784","42.079","0.003","42.079","0.003","39.683","0.003","90","","90","","120","","60851","8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C111.33 H114.8 Au4 Cl0.56 N16 O8 P8 Pt2 -","- C111.5 H128 Au4 Cl10.5917 N16 O8 P8 Pt2 -","- C2007 H2304 Au72 Cl190.65 N288 O144 P144 Pt36 -","18","1","","Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14963","14966","10.1039/c3dt52105b","","","0.71073","MoKα","","0.1422","0.0689","","","0.1871","0.2306","","","","","","1.365","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024042","14.3178","0.0014","14.3178","","9.5757","0.0009","90","","90","","120","","1700","0.2","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Li2 Mo O4 -","- Li2 Mo O4 -","- Li36 Mo18 O72 -","18","1","","Yip, Thomas W. S.; Cussen, Edmund J.; Wilson, Claire","Spontaneous formation of crystalline lithium molybdate from solid reagents at room temperature.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","411","417","10.1039/b908266b","","","0.71073","MoKα","","0.0158","0.0154","","","0.0361","0.0363","","","","","","1.259","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024127","31.6602","0.0014","31.6602","0.0014","5.4696","0.0004","90","","90","","120","","4748","0.5","90","2","90","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22.22 H18.22 Cl0.66 N8 -","- C22 H18 N8 -","- C198 H162 N72 -","9","0.5","","Crowley, James D.; Bandeen, Pauline H.","A multicomponent CuAAC ""click"" approach to a library of hybrid polydentate 2-pyridyl-1,2,3-triazole ligands: new building blocks for the generation of metallosupramolecular architectures.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","612","623","10.1039/b911276f","","","0.71073","MoKα","","0.053","0.0507","","","0.1952","0.2051","","","","","","0.963","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024175","13.955","0.005","13.955","0.005","33.13","0.01","90","","90","","120","","5587","3","150","2","150","2","","","","","","","Local laboratory","5","R -3 :H","-R 3","148","","","","- C8 H8 Ba Cl8 Ga2 -","- C8 H8 Ba Cl8 Ga2 -","- C72 H72 Ba9 Cl72 Ga18 -","9","0.5","","Lindsjö, Martin; Fischer, Andreas; Kloo, Lars","Dimorphic (Ba[GaCl(4)](2))(3).2C(6)H(6): a case of coordination extremes.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1467","1469","10.1039/b912154b","","","0.71073","MoKα","","0.069","0.046","","","0.117","0.137","","","","","","1.17","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7024503","10.9332","0.0007","10.9332","0.0007","11.2807","0.0011","90","","90","","120","","1167.78","0.16","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ag2 I6 O18 Ti -","- Ag2 I6 O18 Ti -","- Ag6 I18 O54 Ti3 -","3","0.166667","","Sun, Chuan-Fu; Hu, Chun-Li; Kong, Fang; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses and crystal structures of four new silver(I) iodates with d(0)-transition metal cations.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1473","1479","10.1039/b917907k","","","0.71073","MoKα","","0.0229","0.021","","","0.0545","0.0558","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024730","9.9242","0.0005","9.9242","0.0005","30.2127","0.0018","90","","90","","120","","2577","0.2","295","1","295","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- Co3 H38 N10 O20 S6 -","- Co3 H38 N10 O20 S6 -","- Co9 H114 N30.0001 O59.9999 S18 -","3","0.166667","","Chilas, George I.; Lalioti, Nicolia; Vaimakis, Tiverios; Kubicki, Maciej; Kabanos, Themistoklis","Hydrothermal syntheses, crystal structures and physicochemical properties of 2-D and 3-D inorganic coordination cobalt(II)-sulfite polymers.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8296","8305","10.1039/b920710d","","","0.71073","MoKα","","0.0607","0.0547","","","0.2255","0.2307","","","","","","1.229","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7024818","16.7756","0.0003","16.7756","0.0003","24.9858","0.0009","90","","90","","120","","6089.5","0.3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","Dy6(tea)","","","- C44 H110 Dy6 N12 O44 -","- C44 H110.016 Dy6 N12 O44 -","- C132 H330.048 Dy18 N36 O132 -","3","0.166667","","Langley, Stuart K.; Moubaraki, Boujemaa; Forsyth, Craig M.; Gass, Ian A.; Murray, Keith S.","Structure and magnetism of new lanthanide 6-wheel compounds utilizing triethanolamine as a stabilizing ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1705","1708","10.1039/b921843b","","","0.71073","MoKα","","0.0207","0.0205","","","0.0539","0.0541","","","","","","1.08","","","","has coordinates,has disorder","179953","2020-10-21","18:00:00",""
"7024819","16.8519","0.0012","16.8519","0.0012","25.031","0.002","90","","90","","120","","6156.1","0.8","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","Gd6(tea)","","","- C44 H110 Gd6 N12 O44 -","- C44 H110.016 Gd6 N12 O44 -","- C132 H330.048 Gd18 N36 O132 -","3","0.166667","","Langley, Stuart K.; Moubaraki, Boujemaa; Forsyth, Craig M.; Gass, Ian A.; Murray, Keith S.","Structure and magnetism of new lanthanide 6-wheel compounds utilizing triethanolamine as a stabilizing ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1705","1708","10.1039/b921843b","","","0.71073","MoKα","","0.0139","0.0138","","","0.0392","0.0393","","","","","","1.1","","","","has coordinates,has disorder","179953","2020-10-21","18:00:00",""
"7024920","14.326","0.002","14.326","0.002","24.55","0.007","90","","90","","120","","4363.5","1.5","291","2","291","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H50 N12 Ni6 O19 -","- C48 H49.98 N12 Ni6 O19 -","- C144 H149.94 N36 Ni18 O57 -","3","0.166667","","Zhang, Suyun; Zhen, Lina; Xu, Bin; Inglis, Ross; Li, Kai; Chen, Wenqian; Zhang, Yong; Konidaris, Konstantis F.; Perlepes, Spyros P.; Brechin, Euan K.; Li, Yahong","Wheel-like Mn(II)6 and Ni(II)6 complexes from the use of 2-pyridinealdoxime and carboxylates.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3563","3571","10.1039/b922672a","","","0.71073","MoKα","","0.0941","0.0838","","","0.2236","0.2421","","","","","","1.032","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024921","14.321","0.0015","14.321","0.0015","25.552","0.005","90","","90","","120","","4538.4","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H50 Mn6 N12 O19 -","- C48 H49.98 Mn6 N12 O19 -","- C144 H149.94 Mn18 N36 O57 -","3","0.166667","","Zhang, Suyun; Zhen, Lina; Xu, Bin; Inglis, Ross; Li, Kai; Chen, Wenqian; Zhang, Yong; Konidaris, Konstantis F.; Perlepes, Spyros P.; Brechin, Euan K.; Li, Yahong","Wheel-like Mn(II)6 and Ni(II)6 complexes from the use of 2-pyridinealdoxime and carboxylates.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3563","3571","10.1039/b922672a","","","0.71073","MoKα","","0.0883","0.0785","","","0.2216","0.2368","","","","","","1.067","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7025283","17.8044","0.0004","17.8044","0.0004","37.1701","0.0006","90","","90","","120","","10204.2","0.4","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H36 Ag B3 F12 N12 Ni -","- C48 H36 Ag B3 F12 N12 Ni -","- C288 H216 Ag6 B18 F72 N72 Ni6 -","6","0.333333","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Hierarchical self-assembly of heteronuclear co-ordination networks.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3805","3815","10.1039/b926264d","","","0.71073","MoKα","","0.124","0.1087","","","0.3365","0.3515","","","","","","1.451","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7025348","27.368","0.006","27.368","0.006","8.447","0.002","90","","90","","120","","5479","2","198","1","198","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H30 In2 O2 -","- C20 H30 In2 O2 -","- C180 H270 In18 O18 -","9","0.5","","Briand, Glen G.; Decken, Andreas; Hamilton, Nathan S.","Rationalizing oligomerization in dimethylindium(III) chalcogenolates (Me2InER') (E = O, S, Se): a structural and computational study.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3833","3841","10.1039/b927128g","","x-ray","0.71073","MoKα","","0.0522","0.0421","","","0.1495","0.1549","","","","","","1.204","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025401","21.6568","0.0012","21.6568","0.0012","16.8587","0.0012","90","","90","","120","","6847.7","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H51 Cl Fe6 N12 O31 -","- C84 H36 Cl Fe6 N12 O31 -","- C252 H108 Cl3 Fe18 N36 O93 -","3","0.166667","","Miao, Yan-Li; Liu, Jun-Liang; Lin, Zhuo-Jia; Ou, Yong-Cong; Leng, Ji-Dong; Tong, Ming-Liang","Synthesis, structures, adsorption behaviour and magnetic properties of a new family of polynuclear iron clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4893","4902","10.1039/c000126k","","","0.71073","MoKα","","0.0592","0.0441","","","0.1362","0.1482","","","","","","1.062","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025494","13.459","0.0004","13.459","0.0004","10.811","0.0003","90","","90","","120","","1695.99","0.09","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C6 F15 P -","- C6 F15 P -","- C36 F90 P6 -","6","0.333333","","Hayes, Stuart A.; Berger, Raphael J. F.; Neumann, Beate; Mitzel, Norbert W.; Bader, Julia; Hoge, Berthold","Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)3.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5630","5636","10.1039/c001310b","","","0.71073","MoKα","","0.0309","0.0287","","","0.0765","0.0781","","","","","","1.101","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025680","27.606","0.004","27.606","0.004","12.42","0.003","90","","90","","120","","8197","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C123 H168 N15 Sm3 -","- C123 H168 N15 Sm3 -","- C369 H504 N45 Sm9 -","3","0.166667","","Gardiner, Michael G.; James, Adam N.; Jones, Cameron; Schulten, Christian","Sm(II) reduction chemistry of heteroalkynes: stable adducts, reductive coupling, reductive C-C/C-N bond cleavage and trapping of the tert-butyl fragment with bulky nitriles, phosphaalkynes and isonitriles.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6864","6870","10.1039/c002778b","","","0.75277","Synchrotron","","0.0856","0.0741","","","0.1879","0.1977","","","","","","1.045","","","","has coordinates,has disorder","179962","2020-10-21","18:00:00",""
"7025712","17.456","0.003","17.456","0.003","12.415","0.003","90","","90","","120","","3276.2","1.1","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24 N9 P3 -","- C18 H24 N9 P3 -","- C108 H144 N54 P18 -","6","0.333333","","Choong, Sam L.; Jones, Cameron; Stasch, Andreas","Using ""click"" chemistry to access a new class of tripodal P3-ligand containing P=C bonds.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5774","5776","10.1039/c002940h","","","0.71073","MoKα","","0.0855","0.0492","","","0.1165","0.1311","","","","","","1.055","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7026020","45.5728","0.0014","45.5728","0.0014","13.5061","0.0009","90","","90","","120","","24292.5","1.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","(Yb.TPP.(Methylphen).acetate).2MeOH","","","- C53.14 H35.14 N5.14 O4.29 Yb0.86 -","- C52.2857 H40.2857 N5.14286 O4 Yb0.857143 -","- C1098 H846 N108 O84 Yb18 -","21","1.16667","","He, Hongshan; Dubey, Mukul; Sykes, Andrew G.; May, P. Stanley","Hybridization of near-infrared emitting erbium(III) and ytterbium(III) monoporphyrinate complexes with silica xerogel: synthesis, structure and photophysics.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6466","6474","10.1039/c0dt00132e","","","0.71073","MoKα","","0.0756","0.0475","","","0.1443","0.1596","","","","","","1.013","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026139","12.4273","0.0004","12.4273","0.0004","28.2459","0.0018","90","","90","","120","","3777.8","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H72 Ag2 N12 O4 S7 -","- C30 H72 Ag2 N12 O4.008 S7 -","- C90 H216 Ag6 N36 O12.024 S21 -","3","0.166667","","Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.","Novel complexes of silver(I) sulfate with 1-methylimidazole-2-thione: structures and vibrational spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6542","6550","10.1039/c0dt00231c","","","0.71073","MoKα","","0.0671","0.0578","","","0.1558","0.165","","","","","","1.031","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026213","15.8632","0.0006","15.8632","0.0006","28.772","0.002","90","","90","","120","","6270.2","0.5","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H43 Na6 O36.5 Pd3 -","- C18 H42 Na6 O36.5 Pd3 -","- C108 H252 Na36 O219 Pd18 -","6","0.333333","","Gunari, Parag; s/o Krishnasamy, Suresh; Bai, Shi-Qiang; Hor, T. S. Andy","Crystallographic identification of an unusual homoleptic palladium citrate [Na(OH2)6]·{[Na3(OH2)8]3[NaPd3(C6H4O7)3]2}·(H2O) stabilised by intermetallic aggregation with sodium and heavy hydration","Dalton Transactions","2010","39","40","9462","","10.1039/c0dt00273a","","","0.71073","MoKα","","0.0625","0.0579","","","0.1106","0.1123","","","","","","1.302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026216","20.26","0.02","20.26","0.02","11.623","0.014","90","","90","","120","","4132","8","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H72 Ni5 O19 Ti -","- C39 Ni4.98 O19 Ti1.02 -","- C117 Ni14.94 O57 Ti3.06 -","3","0.166667","","Seisenbaeva, Gulaim A.; Mallah, Talal; Kessler, Vadim G.","Highly symmetric organic ligand-capped Lindqvist structures derived from 3d-elements.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7774","7779","10.1039/c0dt00275e","","","0.71073","MoKα","","0.1261","0.0831","","","0.2255","0.2412","","","","","","1.171","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026217","20.305","0.005","20.305","0.005","11.585","0.004","90","","90","","120","","4136","2","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H72 Co5 O19 Ti -","- C44.016 Co4.98 O19 Ti1.02 -","- C132.048 Co14.94 O57 Ti3.06 -","3","0.166667","","Seisenbaeva, Gulaim A.; Mallah, Talal; Kessler, Vadim G.","Highly symmetric organic ligand-capped Lindqvist structures derived from 3d-elements.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7774","7779","10.1039/c0dt00275e","","","0.71073","MoKα","","0.1227","0.0735","","","0.1856","0.204","","","","","","0.99","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026218","20.426","0.019","20.426","0.019","11.738","0.01","90","","90","","120","","4241","7","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H72 Mg5 O19 Ti -","- C43.86 Mg4.98 O19 Ti1.02 -","- C131.58 Mg14.94 O57 Ti3.06 -","3","0.166667","","Seisenbaeva, Gulaim A.; Mallah, Talal; Kessler, Vadim G.","Highly symmetric organic ligand-capped Lindqvist structures derived from 3d-elements.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7774","7779","10.1039/c0dt00275e","","","0.71073","MoKα","","0.1465","0.0997","","","0.245","0.2632","","","","","","1.069","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026460","14.6031","0.0003","14.6031","0.0003","36.917","0.002","90","","90","","120","","6817.8","0.4","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H36 Cl8 Fe In2 N12 -","- C24 H36 Cl8 Fe In2 N12 -","- C144 H216 Cl48 Fe6 In12 N72 -","6","0.333333","","Chainok, Kittipong; Neville, Suzanne M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.; Forsyth, Craig M.; Cashion, John D.; Haller, Kenneth J.","Synthesis, structures and spin crossover properties of infinite 3D frameworks of iron(II) containing organodinitrile bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10900","10909","10.1039/c0dt00447b","","","0.71073","MoKα","","0.0854","0.077","","","0.1559","0.161","","","1.065","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026461","14.713","0.001","14.713","0.001","37.436","0.005","90","","90","","120","","7018.1","1.2","233","2","233","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H36 Cl8 Fe In2 N12 -","- C24 H36 Cl8 Fe In2 N12 -","- C144 H216 Cl48 Fe6 In12 N72 -","6","0.333333","","Chainok, Kittipong; Neville, Suzanne M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.; Forsyth, Craig M.; Cashion, John D.; Haller, Kenneth J.","Synthesis, structures and spin crossover properties of infinite 3D frameworks of iron(II) containing organodinitrile bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10900","10909","10.1039/c0dt00447b","","","0.71073","MoKα","","0.0898","0.075","","","0.1507","0.1584","","","1.095","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026462","14.4521","0.0002","14.4521","0.0002","36.3458","0.0011","90","","90","","120","","6574.3","0.2","103","2","103","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H36 Cl8 Fe3 N12 -","- C24 H36 Cl8 Fe3 N12 -","- C144 H216 Cl48 Fe18 N72 -","6","0.333333","","Chainok, Kittipong; Neville, Suzanne M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.; Forsyth, Craig M.; Cashion, John D.; Haller, Kenneth J.","Synthesis, structures and spin crossover properties of infinite 3D frameworks of iron(II) containing organodinitrile bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10900","10909","10.1039/c0dt00447b","","","0.71073","MoKα","","0.05","0.0418","","","0.0851","0.0896","","","1.036","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026463","14.5996","0.0003","14.5996","0.0003","36.9669","0.0018","90","","90","","120","","6823.8","0.4","233","2","233","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H36 Cl8 Fe3 N12 -","- C24 H36 Cl8 Fe3 N12 -","- C144 H216 Cl48 Fe18 N72 -","6","0.333333","","Chainok, Kittipong; Neville, Suzanne M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.; Forsyth, Craig M.; Cashion, John D.; Haller, Kenneth J.","Synthesis, structures and spin crossover properties of infinite 3D frameworks of iron(II) containing organodinitrile bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10900","10909","10.1039/c0dt00447b","","","0.71073","MoKα","","0.0838","0.0562","","","0.1188","0.1323","","","1.065","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026558","38.9152","0.0014","38.9152","0.0014","14.4944","0.0007","90","","90","","120","","19009.4","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C204 H144 Co6 N66 O56 Zn5 -","- C204 H144 Co6 N66 O56 Zn5 -","- C612 H432 Co18 N198 O168 Zn15 -","3","0.166667","","Singh, Amit Pratap; Ali, Afsar; Gupta, Rajeev","Cobalt complexes as the building blocks: {Co3±Zn2+} heterobimetallic networks and their properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8135","8138","10.1039/c0dt00511h","","","0.71073","MoKα","","0.1614","0.0957","","","0.2756","0.3291","","","","","","1.138","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026576","10.1432","0.0014","10.1432","0.0014","20.668","0.004","90","","90","","120","","1841.5","0.5","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- B12 Cl12 Cs2 O2 S -","- B12 Cl12 Cs2 O2 S1.02 -","- B36 Cl36 Cs6 O6 S3.06 -","3","0.166667","","Derendorf, Janis; Kessler, Mathias; Knapp, Carsten; Rühle, Monika; Schulz, Christoph","Alkali metal-sulfur dioxide complexes stabilized by halogenated closo-dodecaborate anions.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8671","8678","10.1039/c0dt00521e","","","0.71073","MoKα","","0.0409","0.0346","","","0.0703","0.0721","","","","","","1.253","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026606","35.0648","0.0003","35.0648","0.0003","9.4475","0.0003","90","","90","","120","","10059.8","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C20 H26.66667 Cl N3 O3.33333 Pt S -","- C20 H26 Cl N3 O3.33333 Pt S -","- C360 H468 Cl18 N54 O60 Pt18 S18 -","18","1","","Mandal, Sutanuva; Castiñeiras, Alfonso; Mondal, Tapan K.; Mondal, Arindam; Chattopadhyay, Dhrubajyoti; Goswami, Sreebrata","An unusual (H(2)O)(20) discrete water cluster in the supramolecular host of a charge transfer platinum(ii) complex: cytotoxicity and DNA cleavage activities.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9514","9522","10.1039/c0dt00527d","","","0.71073","MoKα","","0.0418","0.0286","","","0.0609","0.0652","","","","","","1.027","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7026828","24.7119","0.0015","24.7119","0.0015","37.0183","0.0018","90","","90","","120","","19577.6","1.9","223","2","223","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H168 I38 N12 Pb13 -","- C186 H168 I38 N12 Pb13 -","- C558 H504 I114 N36 Pb39 -","3","0.166667","","Chen, Yang; Wang, Zi-Ou; Yang, Zhou; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Unique assembly of low-dimensional viologen iodoplumbates and their improved semiconducting properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9476","9479","10.1039/c0dt00757a","","","0.71073","MoKα","","0.0815","0.0728","","","0.1789","0.1869","","","","","","1.146","","","","has coordinates,has disorder","179974","2020-10-21","18:00:00",""
"7026905","17.9577","0.0007","17.9577","0.0007","32.1945","0.0017","90","","90","","120","","8991.1","0.7","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H72 Cu3 N6 O6 P3 S6 -","- C45 H72 Cu3 N6 O6 P3 S6 -","- C270 H432 Cu18 N36 O36 P18 S36 -","6","0.333333","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Pape, Tania; Hahn, F. Ekkehardt; Verizhnikov, Maxim L.; Bashirov, Airat R.; Klein, Axel","Polynuclear and mixed-ligand mononuclear Cu(I) complexes with N-thiophosphorylated thioureas and 1,10-phenanthroline or PPh3.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11577","11586","10.1039/c0dt00866d","","","0.71073","MoKα","","0.0351","0.0282","","","0.0725","0.0748","","","","","","1.023","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026937","21.47","0.0007","21.47","0.0007","13.9509","0.001","90","","90","","120","","5569.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","5.1","","","- C33 H51 N3 O12 -","- C33 H51 N3 O12 -","- C198 H306 N18 O72 -","6","0.333333","","Ebrahimpour, Parisa; Cushion, Michael; Haddow, Mairi F.; Hallett, Andrew J.; Wass, Duncan F.","Cu(I) complexes based on cis, cis-1,3,5-tris(arylideneamino)cyclohexane ligands: synthesis, structure and CO binding.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10910","10919","10.1039/c0dt00986e","","","0.71073","MoKα","","0.0868","0.0565","","","0.1552","0.1769","","","","","","1.051","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027293","26.528","0.006","26.528","0.006","36.863","0.013","90","","90","","120","","22466","11","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C120 H149 B4 F18 N36 O13 P3 Zn4 -","- C132 H76 B4 F18 N36 P3 Zn4 -","- C792 H456 B24 F108 N216 P18 Zn24 -","6","0.333333","","Paul, Rowena L.; Amoroso, Angelo J.; Jones, Peter L.; Couchman, Samantha M.; Reeves, Zoe R.; Rees, Leigh H.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.","Effects of metal co-ordination geometry on self-assembly: a monomeric complex with trigonal prismatic metal co-ordination vs. tetrameric complexes with octahedral metal co-ordination","Journal of the Chemical Society, Dalton Transactions","1999","","10","1563","","10.1039/a900805e","","","0.71073","MoKα","","0.1281","0.0828","","0.2662","0.2166","","","","1.047","1.111","1.111","","","","","has coordinates","179978","2020-10-21","18:00:00",""
"7027716","16.955","0.004","16.955","0.004","17.853","0.006","90","","90","","120","","4445","2","200","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H86 O13 Si8 Ti -","- C44.98 H85.98 O13 Si8 Ti -","- C134.94 H257.94 O39 Si24 Ti3 -","3","0.166667","","Crocker, Mark; Herold, Ruud H. M.; Orpen, A. Guy; Overgaag, Martijn T. A.","Synthesis and characterisation of titanium silasesquioxane complexes: soluble models for the active site in titanium silicate epoxidation catalysts †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3791","","10.1039/a905887g","","","0.71073","MoKα","","0.1535","0.1071","","0.3075","0.2692","","","","1.397","1.655","1.655","","","","","has coordinates,has disorder","179983","2020-10-21","18:00:00",""
"7027755","24.985","0.002","24.985","0.002","16.219","0.003","90","","90","","120","","8768.3","1.9","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C63 H63 O6 P3 Pd3 S3 -","- C63 H63 O6 P3 Pd3 S3 -","- C378 H378 O36 P18 Pd18 S18 -","6","0.333333","","Arifhodzic-Radojevic, Sanja; Burrows, Andrew D.; Choi, Nick; McPartlin, Mary; Mingos, D. Michael P.; Tarlton, Stephen V.; Vilar, Ramón","Reactivity of the palladium dimer [Pd2(μ-SO2)(μ-dba)(PBz3)2]. Syntheses and structural characterisation of [Pd3(μ-SO2)3(PBz3)3], [Pd2(μ-SO2)(μ-dppm)(PBz3)2], [Pd(SO2)(PBz3)2], [Pd3(μ-CO)2(μ-SO2)(PBz3)3] and [Pd3(μ-SO2)2(CNBut )2(PBz3)3] (Bz = benzyl) †","Journal of the Chemical Society, Dalton Transactions","1999","","22","3981","","10.1039/a906444c","","","0.71073","MoKα","","0.0827","0.0491","","","0.1105","0.14","","","","","","1.052","","","","has coordinates","179983","2020-10-21","18:00:00",""
"7027947","18.5636","0.0003","18.5636","0.0003","19.7224","0.0006","90","","90","","120","","5885.9","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H18.64 Cu N4 O7.32 -","- C24 H18.64 Cu N4 O7.32 -","- C216 H167.76 Cu9 N36 O65.88 -","9","0.5","","Wang, Xiuli; Lin, Hongyan; Mu, Bao; Tian, Aixiang; Liu, Guocheng","Encapsulation of discrete (H2O)12 clusters in a 3D three-fold interpenetrating metal‒organic framework host with (3,4)-connected topology","Dalton Transactions","2010","39","27","6187","6189","10.1039/c0dt00302f","","","0.71073","MoKα","","0.043","0.0348","","","0.0992","0.1143","","","","","","1.181","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7028414","26.784","0.004","26.784","0.004","11.102","0.002","90","","90","","120","","6897.4","1.9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H10 Cd N2 O5 -","- C14 H10 Cd N2 O5 -","- C252 H180 Cd18 N36 O90 -","18","1","","Liu, Lei-Lei; Yu, Cai-Xia; Sun, Juan; Meng, Pan-Pan; Ma, Feng-Ji; Du, Ji-Min; Ma, Lu-Fang","Three coordination polymers constructed from various polynuclear clusters spaced by 2,2'-azodibenzoic acid: syntheses and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2915","2924","10.1039/c3dt52888j","","","0.71073","MoKα","","0.0162","0.0152","","","0.0436","0.044","","","","","","1.083","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028431","16.1173","0.0016","16.1173","0.0016","16.617","0.003","90","","90","","120","","3738.2","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Mn N2 O14 Zn2 -","- C54 H44 Mn N2 O14 Zn2 -","- C162 H132 Mn3 N5.99999 O42 Zn6 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0609","0.0382","","","0.0899","0.0965","","","","","","0.937","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028432","16.488","0.003","16.488","0.003","16.704","0.007","90","","90","","120","","3932.7","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H44 Cd3 N2 O14 -","- C54 H44 Cd3 N2 O14 -","- C162 H132 Cd9 N5.99999 O42 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0547","0.0335","","","0.0525","0.0543","","","","","","0.924","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028433","16.147","0.002","16.147","0.002","16.617","0.004","90","","90","","120","","3752","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Co2 Mn N2 O14 -","- C54 H44 Co2 Mn N2 O14 -","- C162 H132 Co6 Mn3 N5.99999 O42 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0543","0.0372","","","0.0941","0.0991","","","","","","0.946","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028434","16.3456","0.0019","16.3456","0.0019","16.59","0.004","90","","90","","120","","3838.7","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H44 Mn3 N2 O14 -","- C54 H44 Mn3 N2 O14 -","- C162 H132 Mn9 N5.99999 O42 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0715","0.0584","","","0.1574","0.1661","","","","","","1.033","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028435","16.1672","0.001","16.1672","0.001","16.6171","0.001","90","","90","","120","","3761.5","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Cd N2 O14 Zn2 -","- C54 H44 Cd N2 O14 Zn2 -","- C162 H132 Cd3 N5.99999 O42 Zn6 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0789","0.0661","","","0.1618","0.1708","","","","","","1.001","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028436","16.1476","0.0019","16.1476","0.0019","16.476","0.004","90","","90","","120","","3720.5","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Co N2 O14 Zn2 -","- C54 H44 Co N2 O14 Zn2 -","- C162 H132 Co3 N5.99999 O42 Zn6 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0455","0.0375","","","0.1077","0.112","","","","","","1.062","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028498","21.4863","0.0017","21.4863","0.0017","27.386","0.003","90","","90","","120","","10949.2","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C62 H70 N6 Ni3 O3 S3 -","- C48 H54 N6 Ni3 O3 S3 -","- C288 H324 N36 Ni18 O18 S18 -","6","0.333333","","Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4102","4114","10.1039/c3dt53457j","","","0.71073","MoKα","","0.1097","0.069","","","0.1849","0.2093","","","","","","1.046","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028515","39.5689","0.0012","39.5689","0.0012","9.2324","0.0003","90","","90","","120","","12518.5","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28.75 H26 N4 O0.75 P Pt S -","- C28.75 H26 N4 O0.75 P Pt S -","- C517.5 H468 N72 O13.5 P18 Pt18 S18 -","18","1","","Ibrahim, Abeer A.; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed","Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward Zn(II), Cd(II), Pd(II) and Pt(II) ions: cytotoxic and apoptosis-inducing properties of the Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3850","3860","10.1039/c3dt53032a","","","0.71073","MoKα","","0.0319","0.0248","","","0.0585","0.0618","","","","","","1.044","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028633","15.7585","0.0012","15.7585","0.0012","52.744","0.004","90","","90","","120","","11343.1","1.5","130","2","130","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H46 B K N6 O4 S3 -","- C33 H40 B K N6 O3 S3 -","- C396 H480 B12 K12 N72 O36 S36 -","12","0.666667","","Rong, Yi; Palmer, Joshua H.; Parkin, Gerard","Benzannulated tris(2-mercapto-1-imidazolyl)hydroborato ligands: tetradentate κ4-S3H binding and access to monomeric monovalent thallium in an [S3] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1397","1407","10.1039/c3dt52418c","","","0.71073","MoKα","","0.0696","0.044","","","0.1149","0.1237","","","","","","1.025","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028634","17.793","0.004","17.793","0.004","20.084","0.005","90","","90","","120","","5507","2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H43 B N6 S3 Tl -","- C36 H43 B N6 S3 Tl -","- C216 H258 B6 N36 S18 Tl6 -","6","0.333333","","Rong, Yi; Palmer, Joshua H.; Parkin, Gerard","Benzannulated tris(2-mercapto-1-imidazolyl)hydroborato ligands: tetradentate κ4-S3H binding and access to monomeric monovalent thallium in an [S3] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1397","1407","10.1039/c3dt52418c","","","0.71073","MoKα","","0.0833","0.0444","","","0.072","0.079","","","","","","0.974","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7028672","9.2106","0.0012","9.2106","0.0012","19.705","0.005","90","","90","","120","","1447.7","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B12 K3 Li9 O24 -","- B12 K3 Li9 O24 -","- B36 K9 Li27 O72 -","3","0.166667","","Wu, Hongping; Yu, Hongwei; Pan, Shilie; Jiao, Anqing; Han, Jian; Wu, Kui; Han, Shujuan; Li, Hongyi","New type of complex alkali and alkaline earth metal borates with isolated (B12O24)(12-) anionic group.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4886","4891","10.1039/c3dt53115e","","","0.71073","MoKα","","0.0257","0.0236","","","0.0632","0.0646","","","","","","1.167","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7028673","9.677","0.004","9.677","0.004","24.3","0.02","90","","90","","120","","1971","2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- B12 Cl F6 Li Na2 O24 Sr8 -","- B12 Cl F6 Li Na2 O24 Sr8 -","- B36 Cl3 F18 Li3 Na6 O72 Sr24 -","3","0.166667","","Wu, Hongping; Yu, Hongwei; Pan, Shilie; Jiao, Anqing; Han, Jian; Wu, Kui; Han, Shujuan; Li, Hongyi","New type of complex alkali and alkaline earth metal borates with isolated (B12O24)(12-) anionic group.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4886","4891","10.1039/c3dt53115e","","","0.71073","MoKα","","0.0448","0.03","","","0.0557","0.0616","","","","","","1.013","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028735","17.02529","0.00003","17.02529","0.00003","6.8749","0.00002","90","","90","","120","","1725.78","0.007","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","La7Mo5.25W1.75O30","","- La7 Mo5.25 O30 W1.75 -","- La6.99988 Mo5.24993 O29.9994 W1.75001 -","- La20.9996 Mo15.7498 O89.9982 W5.25003 -","3","0.166667","","Vega-Castillo, Jesús E; Ravella, Uday K.; Corbel, Gwenaël; Lacorre, Philippe; Caneiro, Alberto","Thermodynamic stability of La2Mo2-yWyO9, La2Mo2-yWyO8.96+0.02y and La7Mo7(2-y)/2W7y/2O30 (y = 0, 0.5 and 1.0).","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2661","2669","10.1039/c3dt52174e","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","3.6888","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028736","17.03282","0.00003","17.03282","0.00003","6.87946","0.00002","90","","90","","120","","1728.45","0.007","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- La7 Mo3.5 O30 W3.5 -","- La6.99988 Mo3.49991 O29.9994 W3.49991 -","- La20.9996 Mo10.4997 O89.9982 W10.4997 -","3","0.166667","","Vega-Castillo, Jesús E; Ravella, Uday K.; Corbel, Gwenaël; Lacorre, Philippe; Caneiro, Alberto","Thermodynamic stability of La2Mo2-yWyO9, La2Mo2-yWyO8.96+0.02y and La7Mo7(2-y)/2W7y/2O30 (y = 0, 0.5 and 1.0).","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2661","2669","10.1039/c3dt52174e","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","6.7162","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028873","25.9649","0.0006","25.9649","0.0006","20.5993","0.0007","90","","90","","120","","12027","0.6","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H33 Cl N2 P2 Pd -","- C24 H33 Cl N2 P2 Pd -","- C432 H594 Cl18 N36 P36 Pd18 -","18","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0872","0.0477","","","0.1248","0.1401","","","","","","1.053","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7029384","29.7437","0.001","29.7437","0.001","76.26","0.004","90","","90","","120","","58428","4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Fe13 H131 Na30 O300 P8 W60 -","- Fe13 Na9.6 O297.65 P8 W60 -","- Fe78 Na57.6 O1785.9 P48 W360 -","6","0.333333","","Molina, Pedro I.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Assembly and core transformation properties of two tetrahedral clusters: [Fe(III)13P8W60O227(OH)15(H2O)2](30-) and [Fe(III)13P8W60O224(OH)12(PO4)4](33-).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5190","5199","10.1039/c3dt53382d","","","0.71073","MoKα","","0.0784","0.0503","","","0.1277","0.1602","","","","","","1.224","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7029493","35.285","0.003","35.285","0.003","12.398","0.003","90","","90","","120","","13368","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H20 Al O10 P3 -","- C12 H20 Al O10 P3 -","- C216 H360 Al18 O180 P54 -","18","1","","Tang, Si-Fu; Cai, Jin-Jun; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","A highly porous three-dimensional aluminum phosphonate with hexagonal channels: synthesis, structure and adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5970","5973","10.1039/c3dt53167h","","","0.71073","MoKα","","0.1184","0.0567","","","0.1223","0.1495","","","","","","0.998","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029710","15.0886","0.0003","15.0886","0.0003","24.5251","0.0005","90","","90","","120","","4835.48","0.17","123","","123","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H84 Ge6 -","- C48 H84 Ge6 -","- C144 H252 Ge18 -","3","0.166667","","Tanimoto, Hiroki; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Iseda, Fumiyasu; Nagato, Yuko; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Synthesis and characterization of germa[n]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8338","8343","10.1039/c4dt00574k","","","0.71075","MoKα","","","0.032","","","","0.0934","","","","","","1.326","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7030197","13.4798","0.0002","13.4798","0.0005","30.005","0.0002","90","","90","","120","","4721.62","0.19","160","2","160","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C44 H56 Cl La N18 Ni2 O30 -","- C44 H48 Cl La N18 Ni2 O30.06 -","- C132 H144 Cl3 La3 N54 Ni6 O90.18 -","3","0.166667","","Polyzou, Christina D.; Nikolaou, Helen; Papatriantafyllopoulou, Constantina; Psycharis, Vassilis; Terzis, Aris; Raptopoulou, Catherine P.; Escuer, Albert; Perlepes, Spyros P.","Employment of methyl 2-pyridyl ketone oxime in 3d/4f-metal chemistry: dinuclear nickel(II)/lanthanide(III) species and complexes containing the metals in separate ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13755","13764","10.1039/c2dt31928d","","","1.54178","CuKα","","0.0281","0.0281","","","0.073","0.073","","","","","","1.068","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030368","27.206","0.005","27.206","0.005","16.478","0.002","90","","90","","120","","10562","3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H36 Cu N2 O4 -","- C24 H36 Cu N2 O4 -","- C432 H648 Cu18 N36 O72 -","18","1","","Rangel, Maria; Leite, Andreia; Silva, André M N; Moniz, Tânia; Nunes, Ana; Amorim, M João; Queirós, Carla; Cunha-Silva, Luís; Gameiro, Paula; Burgess, John","Distinctive EPR signals provide an understanding of the affinity of bis-(3-hydroxy-4-pyridinonato) copper(ii) complexes for hydrophobic environments.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9722","9731","10.1039/c4dt00642a","","","0.71073","MoKα","","0.0683","0.0439","","","0.1017","0.1111","","","","","","0.964","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030822","13.1062","0.0016","13.1062","0.0016","35.354","0.007","90","","90","","120","","5259.2","1.4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H39 Co N7 O13.5 -","- C30 H30 Co N7 O13.5 -","- C180 H180 Co6 N42 O81 -","6","0.333333","","Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11579","11586","10.1039/c4dt00776j","","","0.71073","MoKα","","0.0766","0.0598","","","0.1439","0.1808","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030916","18.702","0.0007","18.702","0.0007","23.5495","0.0009","90","","90","","120","","7133.3","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 B2 I2 N4 -","- C12 H10 B2 I2 N4 -","- C216 H180 B36 I36 N72 -","18","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0221","0.0219","","","0.0531","0.0533","","","","","","1.082","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7031400","29.1593","0.0015","29.1593","0.0015","19.403","0.003","90","","90","","120","","14287","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","Sad219","","","- C29 H37 B N4 O2 Zn -","- C29 H37 B N4 O2 Zn -","- C522 H666 B18 N72 O36 Zn18 -","18","1","","Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14368","14376","10.1039/c4dt01011f","","","0.71073","MoKα","","0.0571","0.0432","","","0.1517","0.1646","","","","","","1.076","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031401","28.79","0.003","28.79","0.003","20.2593","0.0017","90","","90","","120","","14542","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32.5 H45 B N4 O2 Zn -","- C30 H39 B N4 O2 Zn -","- C540 H702 B18 N72 O36 Zn18 -","18","1","","Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14368","14376","10.1039/c4dt01011f","","","0.71073","MoKα","","0.0432","0.0314","","","0.0839","0.0878","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031422","39.69","0.004","39.69","0.004","9.2538","0.0009","90","","90","","120","","12624","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20 H56 Mg2 Mo6 N4 O28 -","- C20 H56 Mg2 Mo6 N4 O28 -","- C180 H504 Mg18 Mo54 N36 O252 -","9","0.5","","Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.","Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12876","","10.1039/c4dt01035c","","","0.71073","MoKα","","0.0544","0.0375","","","0.0954","0.1006","","","","","","1.028","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031468","29.365","0.0006","29.365","0.0006","23.302","0.0006","90","","90","","120","","17401.4","0.7","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C82 H106 N2 O8 Zr2 -","- C82 H106 N2 O8 Zr2 -","- C738 H954 N18 O72 Zr18 -","9","0.5","","Forder, Thomas R.; Mahon, Mary F.; Davidson, Matthew G.; Woodman, Timothy; Jones, Matthew D.","Synthesis and characterisation of unsymmetrical Zr(iv) amine tris(phenolate) complexes and their application in ROP of rac-LA.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12095","12099","10.1039/c4dt01260g","","","0.71073","MoKα","","0.0938","0.0572","","","0.1503","0.1859","","","","","","1.124","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031503","16.4342","0.0009","16.4342","0.0009","22.5159","0.0015","90","","90","","120","","5266.4","0.5","296","2","296","2","","","","","","","synthesized","5","R -3 :H","-R 3","148","","","","- C60 H77 Cu6 N7 O29 -","- C60 H56 Cu6 N7 O29 -","- C180 H168 Cu18 N21 O87 -","3","0.166667","","Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra","Characterization of a meso-chiral isomer of a hexanuclear Cu(ii) cage from racemization of the l-alanine Schiff base.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12952","","10.1039/c4dt01443j","","","0.71073","MoKα","","0.0844","0.0522","","","0.1393","0.1604","","","","","","1.054","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031504","16.3913","0.0007","16.3913","0.0007","23.2922","0.0012","90","","90","","120","","5419.6","0.4","296","2","296","2","","","","","","","synthesized","5","R -3 :H","-R 3","148","","","","- C30 H38 Cu3 N3 O15 -","- C30 H28 Cu3 N3 O15 -","- C180 H168 Cu18 N18 O90 -","6","0.333333","","Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra","Characterization of a meso-chiral isomer of a hexanuclear Cu(ii) cage from racemization of the l-alanine Schiff base.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12952","","10.1039/c4dt01443j","","","0.71073","MoKα","","0.0867","0.0564","","","0.148","0.1664","","","","","","1.016","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031534","40.3177","0.0011","40.3177","0.0011","11.1035","0.0006","90","","90","","120","","15630.8","1","185","2","185","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H48 Cl0 N3 O4 V -","- C33 H48 N3 O4 V -","- C594 H864 N54 O72 V18 -","18","1","","Wang, Jia-Bao; Lu, Ling-Pan; Liu, Jing-Yu; Li, Yue-Sheng","[ONN]-type amine pyridine(s) phenolate-based oxovanadium(v) catalysts for ethylene homo- and copolymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12926","","10.1039/c4dt01166j","","","0.71073","MoKα","","0.0837","0.0607","","","0.135","0.1479","","","","","","1.052","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031764","17.068","0.002","17.068","0.002","20.364","0.004","90","","90","","120","","5137.6","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H42 In8 N6 O45 -","- C66 H42 In8 N6 O45 -","- C198 H126 In24 N18 O135 -","3","0.166667","","Wang, Xin-Ming; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Yang, Yu-Lin; Wang, Yu-Lei","Crystal transformation synthesis of a highly stable fluorescent 3D indium-tetranuclear {In4(μ2-OH)3} building block based metal organic framework through a dinuclear complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16152","16155","10.1039/c4dt02045f","","","0.71073","MoKα","","0.0315","0.0292","","","0.1122","0.1148","","","","","","1.023","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7032081","18.0955","0.0002","18.0955","0.0002","30.0074","0.0005","90","","90","","120","","8509.42","0.19","298","2","298","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C24 H86 B6 Cu3 N18 O73 P12 V12 -","- C24 H85.98 B6 Cu3 N18 O73 P12 V12 -","- C72 H257.94 B18 Cu9 N54 O219 P36 V36 -","3","0.166667","","Chen, Hong; Zhang, Yunfeng; Yu, Zheng-Bao; Sun, Junliang","Layered V-B-O polyoxometalate nets linked by diethylenetriamine complexes with dangling amine groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15283","15286","10.1039/c4dt01533a","","","0.71073","MoKα","","0.0849","0.0674","","","0.206","0.2177","","","","","","1.11","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032539","26.839","0.003","26.839","0.003","15.8317","0.0016","90","","90","","120","","9876.2","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H22 Cu2 N4 O2 -","- C18 H22 Cu2 N4 O2 -","- C324 H396 Cu36 N72 O36 -","18","1","","Grzywa, Maciej; Geßner, Christof; Bredenkötter, Björn; Denysenko, Dmytro; van Leusen, Jan; Kögerler, Paul; Klemm, Elias; Volkmer, Dirk","Coordination frameworks assembled from Cu(II) ions and H2-1,3-bdpb ligands: X-ray and magneto structural investigations, and catalytic activity in the aerobic oxidation of tetralin.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16846","16856","10.1039/c4dt01880j","","","0.71073","MoKα","","0.1167","0.0679","","","0.1361","0.1515","","","","","","1.036","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032549","29.294","0.007","29.294","0.007","21.131","0.007","90","","90","","120","","15704","7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37.83 H53 Ir O P2 -","- C37.8335 H53.0004 Ir O P2 -","- C681.003 H954.007 Ir18 O18 P36 -","18","1","","Laviska, David A.; Guan, Changjian; Emge, Thomas J.; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Addition of C-C and C-H bonds by pincer-iridium complexes: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16354","16365","10.1039/c4dt02043j","","","0.71073","MoKα","","0.0712","0.0533","","","0.1219","0.1295","","","","","","1.007","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032630","8.357","0.0012","8.357","0.0012","23.136","0.005","90","","90","","120","","1399.3","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H22 Fe N2 Na O12 -","- C10 H21.96 Fe N1.98 Na O12 -","- C30 H65.88 Fe3 N5.94 Na3 O36 -","3","0.166667","","Mączka, Mirosław; Pietraszko, Adam; Macalik, Lucyna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam","Synthesis and order-disorder transition in a novel metal formate framework of [(CH3)2NH2]Na0.5Fe0.5(HCOO)3].","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17075","17084","10.1039/c4dt02586e","","","0.71073","MoKα","","0.0269","0.0237","","","0.0516","0.052","","","","","","1.368","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032731","16.7609","0.0008","16.7609","0.0008","30.0579","0.0015","90","","90","","120","","7312.8","0.6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C102 H114 N24 Na6 -","- C102 H114 N24 Na6 -","- C306 H342 N72 Na18 -","3","0.166667","","Travieso-Puente, Raquel; Chang, Mu-Chieh; Otten, Edwin","Alkali metal salts of formazanate ligands: diverse coordination modes as a result of the nitrogen-rich [NNCNN] ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18035","18041","10.1039/c4dt02578d","","","0.71073","MoKα","","0.0465","0.036","","","0.0837","0.0888","","","","","","1.036","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032990","28.3724","0.0011","28.3724","0.0011","59.4801","0.0018","90","","90","","120","","41466","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C300 H204 N24 O54 Pd6 S6 -","- C300 H204 N24 O54 Pd6 S6 -","- C900 H612 N72 O162 Pd18 S18 -","3","0.166667","","Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang","Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","787","794","10.1039/c4dt02408g","","","0.71073","MoKα","","0.132","0.0898","","","0.224","0.2398","","","","","","0.944","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032991","45.1264","0.0007","45.1264","0.0007","27.6353","0.0004","90","","90","","120","","48736.7","1.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C288 H192 N48 O24 Pd6 -","- C288 H192 N48 O24 Pd6 -","- C864 H576 N144 O72 Pd18 -","3","0.166667","","Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang","Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","787","794","10.1039/c4dt02408g","","","0.71073","MoKα","","0.1268","0.0549","","","0.1279","0.1348","","","","","","1.036","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032992","45.2042","0.0007","45.2042","0.0007","27.6805","0.0004","90","","90","","120","","48984.9","1.3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C291 H183 N36 O36 Pd6 -","- C291 H183 N36 O36 Pd6 -","- C873 H549 N108 O108 Pd18 -","3","0.166667","","Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang","Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","787","794","10.1039/c4dt02408g","","","0.71073","MoKα","","0.1942","0.0626","","","0.1531","0.1843","","","","","","0.852","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7033124","23.2465","0.0009","23.2465","0.0009","10.239","0.0003","90","","90","","120","","4791.9","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Sc-pydc-3D","","- C7 H5 N2 O8 Sc -","- C7 H5 N2 O8 Sc -","- C126 H90 N36 O144 Sc18 -","18","1","","Cao, Yu; Zhu, Ziqian; Xu, Jianing; Wang, Li; Sun, Jiayin; Chen, Xiaobo; Fan, Yong","Sc₂(pydc)₂ unit based 1D, 2D and 3D metal-organic frameworks as heterogeneous Lewis acid catalysts for cyanosilylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1942","1947","10.1039/c4dt03221g","","","0.71073","MoKα","","0.0846","0.0769","","","0.1886","0.1924","","","","","","1.206","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033338","24.5589","0.0017","24.5589","0.0017","19.3712","0.0013","90","","90","","120","","10118.2","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H19 Co N2 O6 -","- C24 H19 Co N2 O6 -","- C432 H342 Co18 N36 O108 -","18","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Bommakanti, Suresh; Das, Samar K.","Synthesis, characterization and magnetism of metal-organic compounds: role of the positions of the coordinating groups of a meso-flexible ligand in placing anisotropy to exhibit spin-canting behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2852","2864","10.1039/c4dt03468f","","","0.71073","MoKα","","0.0463","0.0367","","","0.0975","0.1034","","","","","","1.037","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033377","33.0955","0.0008","33.0955","0.0008","11.8745","0.0003","90","","90","","120","","11263.8","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C468 H612 N36 O72 -","36","2","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.0835","0.0607","","","0.1489","0.1642","","","","","","1.055","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033383","15.6069","0.0009","15.6069","0.0009","29.9848","0.0015","90","","90","","120","","6325.1","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H92.15 Mn3 N6 O13.08 -","- C78 H90 Mn3 N6 O13.082 -","- C234 H270 Mn9 N18 O39.246 -","3","0.166667","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.1423","0.0648","","","0.1559","0.1736","","","","","","0.802","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033686","5.2084","0.0004","5.2084","0.0004","14.4","0.0011","90","","90","","120","","338.3","0.04","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cr Mn2 O6 Sb -","- Cr2.99988 Mn6 O18.0002 Sb2.99988 -","- Cr2.99988 Mn6 O18.0002 Sb2.99988 -","1","0.0555556","","Dos Santos-García, Antonio J; Solana-Madruga, Elena; Ritter, Clemens; Ávila-Brande, David; Fabelo, Oscar; Sáez-Puche, Regino","Synthesis, structures and magnetic properties of the dimorphic Mn2CrSbO6 oxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10665","10672","10.1039/c4dt03849e","powder diffraction","","1.5936","neutron","","","","","","","","","3.7935","1.3772","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033913","15.3215","0.0005","15.3215","0.0005","24.1704","0.0009","90","","90","","120","","4913.8","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H85 Cu7 N6 Se12 -","- C42 H85 Cu6.9998 N6 Se12 -","- C126 H255 Cu20.9994 N18 Se36 -","3","0.166667","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.0243","0.021","","","0.0466","0.0477","","","","","","1.048","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034235","17.5124","0.0014","17.5124","0.0014","24.2551","0.0019","90","","90","","120","","6442.1","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H108 Dy6 N18 O36 -","- C54 H108 Dy6 N18 O36 -","- C162 H324 Dy18 N54 O108 -","3","0.166667","","Baniodeh, Amer; Magnani, Nicola; Bräse, Stefan; Anson, Christopher E.; Powell, Annie K.","Ligand field variations: tuning the toroidal moment of Dy6 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6343","6347","10.1039/c5dt00237k","","","0.71073","MoKα","","0.0186","0.0182","","","0.0449","0.0451","","","","","","1.164","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034236","15.778","0.001","15.778","0.001","26.4045","0.0019","90","","90","","120","","5692.6","0.7","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H112 Dy6 N18 O32 -","- C42 H96 Dy6 N18 O30 -","- C126 H288 Dy18 N54 O90 -","3","0.166667","","Baniodeh, Amer; Magnani, Nicola; Bräse, Stefan; Anson, Christopher E.; Powell, Annie K.","Ligand field variations: tuning the toroidal moment of Dy6 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6343","6347","10.1039/c5dt00237k","","","0.71073","MoKα","","0.0303","0.0238","","","0.0557","0.0576","","","","","","1.011","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034266","8.328","0.0012","8.328","0.0012","23.012","0.005","90","","90","","120","","1382.2","0.4","302","2","302","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C5 H11 Cr0.5 N Na0.5 O6 -","- C5 H10.92 Cr0.5 N0.99 Na0.5 O6 -","- C30 H65.52 Cr3 N5.94 Na3 O36 -","6","0.333333","","Mączka, Mirosław; Bondzior, Bartosz; Dereń, Przemysław; Sieradzki, Adam; Trzmiel, Justyna; Pietraszko, Adam; Hanuza, J.","Synthesis and characterization of [(CH3)2NH2][Na0.5Cr0.5(HCOO)3]: a rare example of luminescent metal-organic frameworks based on Cr(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6871","6879","10.1039/c5dt00060b","","","0.71073","MoKα","","0.0503","0.0372","","","0.0974","0.1005","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034267","8.3121","0.0012","8.3121","0.0012","22.778","0.005","90","","90","","120","","1362.9","0.4","115","2","115","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C5 H11 Cr0.5 N Na0.5 O6 -","- C5 H10.92 Cr0.5 N0.99 Na0.5 O6 -","- C30 H65.52 Cr3 N5.94 Na3 O36 -","6","0.333333","","Mączka, Mirosław; Bondzior, Bartosz; Dereń, Przemysław; Sieradzki, Adam; Trzmiel, Justyna; Pietraszko, Adam; Hanuza, J.","Synthesis and characterization of [(CH3)2NH2][Na0.5Cr0.5(HCOO)3]: a rare example of luminescent metal-organic frameworks based on Cr(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6871","6879","10.1039/c5dt00060b","","","0.71073","MoKα","","0.1203","0.0686","","","0.1131","0.1299","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034326","44.234","0.002","44.234","0.002","10.1891","0.0005","90","","90","","120","","17265.5","1.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H46 Cl4 Ir2 N4 S2 -","- C33 H46 Cl4 Ir2 N4 S2 -","- C594 H828 Cl72 Ir36 N72 S36 -","18","1","","Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V","Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6987","6998","10.1039/c5dt00482a","","","0.71073","MoKα","","0.084","0.039","","","0.041","0.0474","","","","","","0.807","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034334","30.9905","0.0015","30.9905","0.0015","12.3331","0.0006","90","","90","","120","","10257.9","0.9","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","1d","","","- C22 H34 N4 O S -","- C22 H34 N4 O S -","- C396 H612 N72 O18 S18 -","18","1","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","0.7107","MoKα","","0.0728","0.0596","","","0.1686","0.1833","","","","","","1.065","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7035070","23.03","0.005","23.03","0.005","64.8842","0.0012","90","","90","","120","","29803","9","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C56 H49 F6 N7 O2 P Rh -","- C56 H49 F4 N7 O2 P0.666667 Rh -","- C1008 H882 F72 N126 O36 P12 Rh18 -","18","1","","Wang, Chunyan; Lam, Ho-Chuen; Zhu, Nianyong; Wong, Keith Man-Chung","Introduction of luminescent rhenium(i), ruthenium(ii), iridium(iii) and rhodium(iii) systems into rhodamine-tethered ligands for the construction of bichromophoric chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15250","15263","10.1039/c5dt00661a","","","0.71073","MoKα","","0.1751","0.0653","","","0.1782","0.2293","","","","","","0.899","","","","has coordinates,has disorder","161723","2020-10-21","18:00:00",""
"7035179","27.41","0.0008","27.41","0.0008","6.7279","0.0002","90","","90","","120","","4377.5","0.2","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 Cd N O6.76 P -","- C3 Cd N O6.76398 P -","- C54 Cd18 N18 O121.752 P18 -","18","1","","Waitschat, Steve; Wharmby, Michael T.; Stock, Norbert","Flow-synthesis of carboxylate and phosphonate based metal-organic frameworks under non-solvothermal reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11235","11240","10.1039/c5dt01100k","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0156","1.14125","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035690","15.372","0.0004","15.372","0.0004","22.8499","0.0017","90","","90","","120","","4676","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Eu Fe7 N6 O44 P6 -","- C30 H45.96 Eu Fe7 N6 O44 P6 -","- C90 H137.88 Eu3 Fe21 N18 O132 P18 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.0962","0.0566","","","0.1079","0.1222","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035691","15.2875","0.0005","15.2875","0.0005","22.7526","0.0017","90","","90","","120","","4605.1","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Dy Fe7 N6 O44 P6 -","- C30 H45.96 Dy Fe7 N6 O44 P6 -","- C90 H137.88 Dy3 Fe21 N18 O132 P18 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.06","0.0487","","","0.1491","0.1551","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035692","15.2935","0.0004","15.2935","0.0004","22.7749","0.0012","90","","90","","120","","4613.2","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Fe7 Ho N6 O44 P6 -","- C30 H45.96 Fe7 Ho N6 O44 P6 -","- C90 H137.88 Fe21 Ho3 N18 O132 P18 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.0554","0.047","","","0.1361","0.1398","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035693","15.308","0.0003","15.308","0.0003","22.7261","0.001","90","","90","","120","","4612","0.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Fe7 N6 O44 P6 Y -","- C30 H45.96 Fe7 N6 O44 P6 Y -","- C90 H137.88 Fe21 N18 O132 P18 Y3 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.0682","0.0448","","","0.138","0.1465","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035995","16.997","0.005","16.997","0.005","21.834","0.005","90","","90","","120","","5463","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 Eu N21 O3 -","- C30 H30 Eu N21 O3 -","- C180 H180 Eu6 N126 O18 -","6","0.333333","","Senthil Kumar, Kuppusamy; Schäfer, Bernhard; Lebedkin, Sergei; Karmazin, Lydia; Kappes, Manfred M.; Ruben, Mario","Highly luminescent charge-neutral europium(iii) and terbium(iii) complexes with tridentate nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15611","15619","10.1039/c5dt02186c","","","0.71073","MoKα","","0.0364","0.0276","","","0.0604","0.0622","","","","","","1.049","","","","has coordinates","161289","2020-10-21","18:00:00",""
"7035996","16.98","0.005","16.98","0.005","21.806","0.005","90","","90","","120","","5445","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 N21 O3 Tb -","- C30 H30 N21 O3 Tb -","- C180 H180 N126 O18 Tb6 -","6","0.333333","","Senthil Kumar, Kuppusamy; Schäfer, Bernhard; Lebedkin, Sergei; Karmazin, Lydia; Kappes, Manfred M.; Ruben, Mario","Highly luminescent charge-neutral europium(iii) and terbium(iii) complexes with tridentate nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15611","15619","10.1039/c5dt02186c","","","0.71073","MoKα","","0.0274","0.0228","","","0.051","0.0519","","","","","","1.078","","","","has coordinates","161289","2020-10-21","18:00:00",""
"7036157","9.3948","0.0003","9.3948","0.0003","28.2796","0.0011","90","","90","","120","","2161.62","0.13","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cs4 H12 Na O25 Ta3 W3 -","- Cs4 Na O25 Ta3 W3 -","- Cs12 Na3 O75 Ta9 W9 -","3","0.166667","","Molina, P. I.; Sures, D. J.; Miró, P; Zakharov, L. N.; Nyman, M.","Bridging the opposite chemistries of tantalum and tungsten polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15813","15822","10.1039/c5dt02290h","","","0.71073","MoKα","","0.0423","0.0342","","","0.0849","0.088","","","","","","1.116","","","","has coordinates","161434","2020-10-21","18:00:00",""
"7036586","28.987","0.008","28.987","0.008","54.1","0.02","90","","90","","120","","39367","2","100","2","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C336 H266 Cd4 Cl16 N72 O65 Os4 -","- C336 H264 Cd4 Cl15 N72 O61 Os4 -","- C1008 H792 Cd12 Cl45 N216 O183 Os12 -","3","0.166667","","Wragg, Ashley B.; Metherell, Alexander J.; Cullen, William; Ward, Michael D.","Stepwise assembly of mixed-metal coordination cages containing both kinetically inert and kinetically labile metal ions: introduction of metal-centred redox and photophysical activity at specific sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17939","17949","10.1039/c5dt02957k","","","0.71075","MoKα","","0.1713","0.1527","","","0.427","0.4451","","","","","","1.715","","","","has coordinates,has disorder","171192","2020-10-21","18:00:00",""
"7036587","28.9579","0.0016","28.9579","0.0016","52.757","0.003","90","","90","","120","","38313","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C336 H266 Cl16 Co4 N72 O65 Os4 -","- C336 H264 Cl15 Co4 N72 O61 Os4 -","- C1008 H792 Cl45 Co12 N216 O183 Os12 -","3","0.166667","","Wragg, Ashley B.; Metherell, Alexander J.; Cullen, William; Ward, Michael D.","Stepwise assembly of mixed-metal coordination cages containing both kinetically inert and kinetically labile metal ions: introduction of metal-centred redox and photophysical activity at specific sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17939","17949","10.1039/c5dt02957k","","","0.71073","MoKα","","0.2219","0.1271","","","0.3825","0.4483","","","","","","1.267","","","","has coordinates,has disorder","171192","2020-10-21","18:00:00",""
"7036588","34.091","0.002","34.091","0.002","35.5084","0.0017","90","","90","","120","","35739","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C339 H273 B16 Co4 F64 N75 O6 Ru4 -","- C339 H273 B12 Co4 F48 N75 O6 Ru4 -","- C1017 H819 B36 Co12 F144 N225 O18 Ru12 -","3","0.166667","","Wragg, Ashley B.; Metherell, Alexander J.; Cullen, William; Ward, Michael D.","Stepwise assembly of mixed-metal coordination cages containing both kinetically inert and kinetically labile metal ions: introduction of metal-centred redox and photophysical activity at specific sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17939","17949","10.1039/c5dt02957k","","","0.71073","MoKα","","0.1299","0.0773","","","0.2194","0.246","","","","","","0.97","","","","has coordinates,has disorder","171192","2020-10-21","18:00:00",""
"7036617","15.0749","0.0006","15.0749","0.0006","54.398","0.002","90","","90","","120","","10705.9","0.7","110","2","110","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C56.4 H79.8 Cl4.8 F12 N6 Ni O3 Sb2 -","- C56.4 H79.8 Cl4.8 F12 N6 Ni O3 Sb2 -","- C338.4 H478.8 Cl28.8 F72 N36 Ni6 O18 Sb12 -","6","0.333333","","Benisvy, Laurent; Zats, Galina M.; Fleker, Ohad; Yufit, Dmitry S.; Orio, Maylis; Romanenko, Galina; Ovcharenko, Victor","X-ray structure of a Ni(ii)-tri-phenoxyl radical complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17924","17926","10.1039/c5dt03131a","","","0.71073","MoKα","","0.0538","0.0468","","","0.1115","0.1178","","","","","","1.175","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036636","13.9962","0.0001","13.9962","0.0001","28.8072","0.0003","90","","90","","120","","4887.11","0.07","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H72 B6 Cu3 F24 N24 O6 -","- C30 H72 B6 Cu3 F24 N24 O6 -","- C90 H216 B18 Cu9 F72 N72 O18 -","3","0.166667","","Degtyarik, Mikhail M.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Matulis, Vitaly E.; Matulis, Vadim E.; Gruschinski, Sina; Voitekhovich, Sergei V.; Kersting, Berthold; Ivashkevich, Oleg A.","Copper(ii) tetrafluoroborate complexes with the N(3),N(4)-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18518","18526","10.1039/c5dt02871j","","","0.71073","MoKα","","0.0389","0.0345","","","0.0949","0.0979","","","","","","1.051","","","","has coordinates","171276","2020-10-21","18:00:00",""
"7036996","18.6067","0.0012","18.6067","0.0012","36.828","0.002","90","","90","","120","","11042","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C63 H69 N6 Y -","- C63 H69 N6 Y -","- C378 H414 N36 Y6 -","6","0.333333","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.1345","0.0535","","","0.1261","0.1401","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037407","16.64","0.03","16.64","0.03","10.217","0.019","90","","90","","120","","2450","8","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cl Dy3 O4 -","- Cl Dy3 O4 -","- Cl18 Dy54 O72 -","18","1","","Wang, Yanyan; Han, Tian; Ding, You-Song; Zheng, Zhiping; Zheng, Yan-Zhen","Sodalite-like rare-earth carbonates: a study of structural transformation and diluted magnetism.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1103","1110","10.1039/c5dt03314d","","","0.71073","MoKα","","0.2356","0.0927","","","0.2245","0.3476","","","","","","0.95","","","","has coordinates","176048","2020-10-21","18:00:00",""
"7038135","35.3364","0.0006","35.3364","0.0006","10.7274","0.0002","90","","90","","120","","11600.3","0.4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H48 N4 O4 Zn2 -","- C62 H48 N4 O4 Zn2 -","- C558 H432 N36 O36 Zn18 -","9","0.5","","Saini, Anoop Kumar; Srivastava, Mansi; Sharma, Vinay; Mishra, Veenu; Mobin, Shaikh M.","A highly selective, sensitive and reversible fluorescence chemosensor for Zn(2+) and its cell viability.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3927","3935","10.1039/c5dt04945h","","","0.71073","MoKα","","0.0442","0.0365","","","0.0926","0.0968","","","","","","1.065","","","","has coordinates","177876","2020-10-21","18:00:00",""
"7038242","20.1415","0.0004","20.1415","0.0004","24.6108","0.0012","90","","90","","120","","8646.5","0.5","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C58 H63 B Cl6 Cu N7 -","- C58 H63 B Cl6 Cu0.999999 N7 -","- C348 H378 B6 Cl36 Cu5.99999 N42 -","6","0.333333","","Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J","Copper-induced ammonia N-H functionalization.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14628","14633","10.1039/c5dt04972e","","","0.71073","MoKα","","0.0507","0.0389","","","0.1131","0.1218","","","","","","1.066","","","","has coordinates,has disorder","187145","2020-10-21","18:00:00",""
"7038248","23.44","0.003","23.44","0.003","32.519","0.005","90","","90","","120","","15473","4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C46 H92 Cl6 Fe3 N4 O2 P4 -","- C46 H92 Cl6 Fe3 N4 O2 P4 -","- C414 H828 Cl54 Fe27 N36 O18 P36 -","9","0.5","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.1912","0.0897","","","0.1603","0.196","","","","","","1.016","","","","has coordinates,has disorder","181691","2020-10-21","18:00:00",""
"7038420","17.7025","0.0016","17.7025","0.0016","9.883","0.002","90","","90","","120","","2682.2","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Dy9 Se18 -","- Cd4.02 Cs Dy8.98 Se18 -","- Cd12.06 Cs3 Dy26.94 Se54 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0361","0.0347","","","0.0928","0.0939","","","","","","1.063","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038421","17.584","0.005","17.584","0.005","9.825","0.004","90","","90","","120","","2630.9","1.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Er9 Se18 -","- Cd4.02 Cs Er8.98 Se18 -","- Cd12.06 Cs3 Er26.94 Se54 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0347","0.0335","","","0.093","0.0938","","","","","","1.113","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038422","17.635","0.006","17.635","0.006","9.857","0.005","90","","90","","120","","2654.8","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Ho9 Se18 -","- Cd4.02 Cs Ho8.98 Se18 -","- Cd12.06 Cs3 Ho26.94 Se54 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0549","0.0516","","","0.1112","0.1129","","","","","","1.006","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038423","17.7731","0.0011","17.7731","0.0011","9.918","0.0014","90","","90","","120","","2713.2","0.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Se18 Tb9 -","- Cd4.02 Cs Se18 Tb8.98 -","- Cd12.06 Cs3 Se54 Tb26.94 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0402","0.0385","","","0.0934","0.095","","","","","","1.059","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038424","17.489","0.006","17.489","0.006","9.765","0.005","90","","90","","120","","2586.6","1.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd4 Cs Se18 Tm9 -","- Cd4.02 Cs Se18 Tm8.98 -","- Cd12.06 Cs3 Se54 Tm26.94 -","3","0.166667","","Lin, Hua; Chen, Hong; Liu, Peng-Fei; Yu, Ju-Song; Zheng, Yu-Jun; Ali, Khan Muhammad; Chen, Ling; Wu, Li-Ming","Syntheses, structures, physical and electronic properties of quaternary semiconductors: Cs[RE9Cd4Se18] (RE = Tb-Tm).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5775","5782","10.1039/c6dt00193a","","","0.71073","MoKα","","0.0402","0.0378","","","0.1008","0.1021","","","","","","1.109","","","","has coordinates","181647","2020-10-21","18:00:00",""
"7038434","42.175","0.0006","42.175","0.0006","10.4933","0.0002","90","","90","","120","","16164.2","0.4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35.5 H57.5 B N2 P -","- C34 H54 B N2 P -","- C612 H972 B18 N36 P18 -","18","1","","Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9860","9870","10.1039/c6dt00299d","","","1.54178","CuKα","","0.0566","0.0497","","","0.1343","0.1428","","","","","","1.042","","","","has coordinates","185381","2020-10-21","18:00:00",""
"7039001","19.42","0.007","19.42","0.007","31.641","0.013","90","","90","","120","","10334","7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","complex2","","","- C144 H120 O12 S6 Se6 Sn6 -","- C144 H120 O12 S6 Se6 Sn6 -","- C432 H360 O36 S18 Se18 Sn18 -","3","0.166667","","Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin","Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8412","8421","10.1039/c6dt00532b","","","0.71073","MoKα","","0.0969","0.051","","","0.1185","0.1327","","","","","","1.004","","","","has coordinates","185425","2020-10-21","18:00:00",""
"7039352","25.409","0.007","25.409","0.007","35.143","0.001","90","","90","","120","","19649","8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C116 H113 Cl6 Mn6 N13 O49 -","- C116 H108 Cl6 Mn6 N13 O49.01 -","- C696 H648 Cl36 Mn36 N78 O294.06 -","6","0.333333","","Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat","New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11753","11764","10.1039/c6dt01097k","","","0.71073","MoKα","","0.1303","0.047","","","0.1094","0.1287","","","","","","0.881","","","","has coordinates,has disorder","185485","2020-10-21","18:00:00",""
"7039891","27.62","0.005","27.62","0.005","28.5419","0.0009","90","","90","","120","","18856","5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44.67 H41 Cl Ir N4.33 P2 -","- C44.666 H40.999 Cl Ir N4.33333 P2 -","- C803.988 H737.982 Cl18 Ir18 N78 P36 -","18","1","","Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano","Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12028","12040","10.1039/c6dt01146b","","","0.71073","MoKα","","0.0556","0.0312","","","0.068","0.0838","","","","","","1.239","","","","has coordinates,has disorder","185318","2020-10-21","18:00:00",""
"7040205","13.737","0.0004","13.737","0.0013","44.111","0.0015","90","","90","","120","","7208.8","0.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C44 H39 Cl2 Mn N11 O11 S3 -","- C43.9998 H38.9997 Cl2 Mn N11 O11 S3 -","- C263.999 H233.998 Cl12 Mn6 N66 O66 S18 -","6","0.333333","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10280","10288","10.1039/c6dt01148a","","","0.71073","MoKα","","0.1343","0.0739","","","0.1455","0.1632","","","","","","0.939","","","","has coordinates","185065","2020-10-21","18:00:00",""
"7040206","13.878","0.0017","13.878","0.0017","43.257","0.008","90","","90","","120","","7215.1","1.8","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H36.5 Cd Cl2 N10 O11.25 S3 -","- C42 H36 Cd Cl2 N10 O11.25 S3 -","- C252 H216 Cd6 Cl12 N60 O67.5 S18 -","6","0.333333","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10280","10288","10.1039/c6dt01148a","","","0.71073","MoKα","","0.0925","0.0844","","","0.2064","0.2295","","","","","","1.018","","","","has coordinates","185065","2020-10-21","18:00:00",""
"7040326","36.04","0.03","36.04","0.03","11.643","0.009","90","","90","","120","","13097","18","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H30 Cl2 O4 -","- C32 H30 Cl2 O4 -","- C576 H540 Cl36 O72 -","18","1","","Bensenane, Bachir; Asfari, Zouhair; Platas-Iglesias, Carlos; Esteban-Gómez, David; Djafri, Fatiha; Elhabiri, Mourad; Charbonnière, Loïc J","Sulphur-rich functionalized calix[4]arenes for selective complexation of Hg(2+) over Cu(2+), Zn(2+) and Cd(2).","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15211","15224","10.1039/c6dt02628a","","","0.71073","MoKα","","0.1183","0.0798","","","0.2445","0.2728","","","","","","1.055","","","","has coordinates","188116","2020-10-21","18:00:00",""
"7040382","24.929","0.003","24.929","0.003","5.2298","0.0009","90","","90","","120","","2814.7","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H2 N10 O8 -","- C6 H2 N10 O8 -","- C54 H18 N90 O72 -","9","0.5","","Huang, Haifeng; Shi, Yameng; Liu, Yanfang; Yang, Jun","1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15382","","10.1039/c6dt02993k","","","0.71073","MoKα","","0.0445","0.0403","","","0.0971","0.1001","","","","","","1.108","","","","has coordinates","187085","2020-10-21","18:00:00",""
"7040658","33.2975","0.0017","33.2975","0.0017","9.6334","0.0005","90","","90","","120","","9249.8","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H18 N17.89 O2 Pb2 -","- C26 H18 N17.8888 O2 Pb2 -","- C234 H162 N160.999 O18 Pb18 -","9","0.5","","Xiang, Jing; Shen, Chang; Cheng, Shun-Cheung; Yu, Fei; Chu, Wing-Kin; Feng, Hua; Yiu, Shek-Man; Ko, Chi-Chiu; Leung, Chi-Fai","Luminescence behaviour of Pb(2+)-based cage-containing and channel-containing porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16134","16138","10.1039/c6dt02986h","","","1.54184","CuKα","","0.1402","0.0834","","","0.2108","0.2604","","","","","","0.967","","","","has coordinates","188161","2020-10-21","18:00:00",""
"7040671","13.6688","0.001","13.6688","0.001","25.0762","0.0018","90","","90","","120","","4057.4","0.5","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H78 N6 O24 V6 -","- C36 H78 N6 O24 V6 -","- C108 H234 N18 O72 V18 -","3","0.166667","","Li, H.; Swenson, L.; Doedens, R. J.; Khan, M. I.","An organo-functionalized metal-oxide cluster, [VO6{(OCH2CH2)2N(CH2CH2OH)}6], with Anderson-like structure.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16511","16518","10.1039/c6dt03354g","","","0.71073","MoKα","","0.0485","0.0381","","","0.1089","0.1173","","","","","","1.048","","","","has coordinates","188162","2020-10-21","18:00:00",""
"7040855","40.862","0.002","40.862","0.002","11.1596","0.0007","90","","90","","120","","16136.8","1.5","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26 H49 Ir N2 O6 P2 -","- C26 H49 Ir N2 O6 P2 -","- C468 H882 Ir18 N36 O108 P36 -","18","1","","Han, D.; Joksch, M.; Klahn, M.; Spannenberg, A.; Drexler, H.-J.; Baumann, W.; Jiao, H.; Knitsch, R.; Hansen, M. R.; Eckert, H.; Beweries, T.","Iridium(iii) hydrido complexes for the catalytic dehydrogenation of hydrazine borane.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17697","17704","10.1039/c6dt03068h","","","0.71073","MoKα","","0.0383","0.0301","","","0.0794","0.0831","","","","","","1.069","","","","has coordinates","190172","2020-10-21","18:00:00",""
"7041300","32.4965","0.0008","32.4965","0.0008","13.1823","0.0004","90","","90","","120","","12055.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H32 N2 O12.5 P4 Zn3 -","- C12 H31.46 N2 O12.533 P4 Zn3 -","- C216 H566.28 N36 O225.594 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","1.54178","CuKα","","0.0279","0.0262","","","0.0683","0.0695","","","","","","1.032","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041301","33.9287","0.0003","33.9287","0.0003","13.6579","0.0001","90","","90","","120","","13616","0.2","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H40 N2 O12.3 P4 Zn3 -","- C16 H24.67 N2 O12.335 P4 Zn3 -","- C288 H444.06 N36 O222.03 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0974","0.0536","","","0.1464","0.1836","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041302","32.8755","0.0009","32.8755","0.0009","13.2082","0.0005","90","","90","","120","","12362.9","0.7","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C8 H28 N2 O13 P4 Zn3 -","- H2.99 O13.009 P4 Zn3 -","- H53.82 O234.162 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0467","0.0322","","","0.1005","0.1071","","","","","","1.017","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041303","33.1915","0.0004","33.1915","0.0004","13.3206","0.0002","90","","90","","120","","12708.9","0.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H18 N2 O12.5 P4 Zn3 -","- H3.51 O12.482 P4 Zn3 -","- H63.18 O224.676 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0425","0.0317","","","0.1011","0.1045","","","","","","0.986","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041304","33.2781","0.0009","33.2781","0.0009","13.5625","0.0005","90","","90","","120","","13007.3","0.7","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 N2 O12.3 P4 Zn3 -","- H3.68 O12.318 P4 Zn3 -","- H66.24 O221.724 P72 Zn54 -","18","1","","Huang, Hui-Lin; Lin, Hsin-Yau; Chen, Pei-Shan; Lee, Jey-Jau; Kung, Hui-Chen; Wang, Sue-Lein","A highly flexible inorganic framework with amphiphilic amine assemblies as templates.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","364","368","10.1039/c6dt04165e","","","0.71073","MoKα","","0.0358","0.0268","","","0.085","0.0872","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7041325","19.0345","0.0002","19.0345","0.0002","41.0567","0.0005","90","","90","","120","","12882.4","0.2","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H75 Cl6 Na O27 Zn4 -","- C81 H63 Cl6 Na O24 Zn4 -","- C486 H378 Cl36 Na6 O144 Zn24 -","6","0.333333","","Zavakhina, Marina S.; Yushina, Irina V.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; Argent, Stephen P.; Blake, Alexander J.; Schröder, Martin","Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","465","470","10.1039/c6dt03969c","","x-ray","0.71073","MoKα","","0.0489","0.0392","","","0.11","0.1169","","","","","","1.054","","","","has coordinates","191592","2020-10-21","18:00:00",""
"7041484","37.8082","0.0008","37.8082","0.0008","14.6373","0.0005","90","","90","","120","","18120.2","0.8","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H50 Fe2 N4 -","- C42 H50 Fe2 N4 -","- C756 H900 Fe36 N72 -","18","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","0.71073","MoKα","","0.0812","0.0476","","","0.0967","0.1105","","","","","","1.003","","","","has coordinates,has disorder","196404","2020-10-21","18:00:00",""
"7041490","37.5514","0.0011","37.5514","0.0011","14.5525","0.0004","90","","90","","120","","17771.4","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H50 Co2 N4 -","- C42 H50 Co2 N4 -","- C756 H900 Co36 N72 -","18","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","0.71073","MoKα","","0.0695","0.0449","","","0.0984","0.1127","","","","","","1.036","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041502","34.878","0.004","34.878","0.004","12.477","0.003","90","","90","","120","","13144","4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26.67 H23.33 Cl Cu N6 O9.33 -","- C24 H17 Cl Cu N6 O8 -","- C432 H306 Cl18 Cu18 N108 O144 -","18","1","","Deville, Claire; McKee, Vickie; McKenzie, Christine J.","Copper-promoted methylene C-H oxidation to a ketone derivative by O2.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","709","719","10.1039/c6dt03349k","","","0.71073","MoKα","","0.0614","0.0427","","","0.1003","0.1057","","","","","","0.825","","","","has coordinates","191624","2020-10-21","18:00:00",""
"7041622","13.4969","0.0004","13.4969","0.0004","33.8779","0.0011","90","","90","","120","","5344.6","0.3","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Cu2 P2 Se6 Sn -","- C72 H60 Cu2 P2 Se6 Sn -","- C216 H180 Cu6 P6 Se18 Sn3 -","3","0.166667","","Kühn, Michael; Lebedkin, Sergei; Weigend, Florian; Eichhöfer, Andreas","Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2].","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1502","1509","10.1039/c6dt04287b","","","0.71073","MoKα","","0.048","0.0367","","","0.0933","0.0983","","","","","","1.03","","","","has coordinates,has disorder","191668","2020-10-21","18:00:00",""
"7041623","13.2373","0.0019","13.2373","0.0019","34.644","0.007","90","","90","","120","","5257.2","1.5","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H60 Ag2 P2 S6 Sn -","- C72 H60 Ag2 P2 S6 Sn -","- C216 H180 Ag6 P6 S18 Sn3 -","3","0.166667","","Kühn, Michael; Lebedkin, Sergei; Weigend, Florian; Eichhöfer, Andreas","Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2].","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1502","1509","10.1039/c6dt04287b","","","0.71073","MoKα","","0.0426","0.0298","","","0.0638","0.0689","","","","","","1.03","","","","has coordinates","191668","2020-10-21","18:00:00",""
"7042396","32.4643","0.0017","32.4643","0.0017","10.438","0.0005","90","","90","","120","","9527.1","0.8","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43.67 H54 Co2 N4 O2 S4 -","- C42 H50 Co2 N4 O2 S4 -","- C378 H450 Co18 N36 O18 S36 -","9","0.5","","Fogeron, Thibault; Retailleau, Pascal; Chamoreau, Lise-Marie; Fontecave, Marc; Li, Yun","The unusual ring scission of a quinoxaline-pyran-fused dithiolene system related to molybdopterin.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4161","4164","10.1039/c7dt00377c","","","0.71073","MoKα","","0.0585","0.0357","","","0.0909","0.102","","","","","","0.98","","","","has coordinates","195075","2020-10-21","18:00:00",""
"7042492","43.759","0.013","43.759","0.013","10.79","0.003","90","","90","","120","","17893","9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H52 Cl N3 Pd -","- C43 H52 Cl N3 Pd -","- C774 H936 Cl18 N54 Pd18 -","18","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.0442","0.0316","","","0.0881","0.0988","","","","","","1.084","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042737","12.896","0.008","12.896","0.008","53.12","0.03","90","","90","","120","","7651","8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H45 Cl Cu3 O24 Zn -","- C48 H44.9998 Cl Cu3 O24 Zn -","- C288 H269.999 Cl6 Cu18 O144 Zn6 -","6","0.333333","","Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming","Metal-ion induced ferromagnetic polarization in mixed-spin system","Dalton Trans.","2017","","","","","10.1039/C7DT00753A","","","0.71073","MoKα","","0.0888","0.0521","","","0.1427","0.1636","","","","","","1.043","","","","has coordinates","195645","2020-10-21","18:00:00",""
"7042738","12.756","0.002","12.756","0.002","52.895","0.009","90","","90","","120","","7454","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H45 Cl Co Cu3 O24 -","- C48 H44.9998 Cl Co Cu3 O24 -","- C288 H269.999 Cl6 Co6 Cu18 O144 -","6","0.333333","","Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming","Metal-ion induced ferromagnetic polarization in mixed-spin system","Dalton Trans.","2017","","","","","10.1039/C7DT00753A","","","0.71073","MoKα","","0.0664","0.045","","","0.1108","0.1239","","","","","","1.025","","","","has coordinates","195645","2020-10-21","18:00:00",""
"7042739","12.8633","0.0008","12.8633","0.0008","53.095","0.007","90","","90","","120","","7608.3","1.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H45 Cl Cu3 Ni O24 -","- C48 H44.9998 Cl Cu3 Ni O24 -","- C288 H269.999 Cl6 Cu18 Ni6 O144 -","6","0.333333","","Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming","Metal-ion induced ferromagnetic polarization in mixed-spin system","Dalton Trans.","2017","","","","","10.1039/C7DT00753A","","","0.71073","MoKα","","0.0619","0.0391","","","0.1029","0.1167","","","","","","1.032","","","","has coordinates","195645","2020-10-21","18:00:00",""
"7043124","31.5009","0.0007","31.5009","0.0007","14.4145","0.0004","90","","90","","120","","12387.3","0.5","110","2","110","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C17 H27 F6 Fe Ni O P S2 Se2 -","- C17 H27 F6 Fe Ni O P S2 Se2 -","- C306 H486 F108 Fe18 Ni18 O18 P18 S36 Se36 -","18","1","","Gezer, Gamze; Durán Jiménez, Dinesh; Siegler, Maxime A.; Bouwman, Elisabeth","Electrocatalytic Proton Reduction by a Model for [NiFeSe] Hydrogenases","Dalton Trans.","2017","","","","","10.1039/C7DT00972K","","","1.54178","CuKα","","0.0505","0.039","","","0.0798","0.0839","","","","","","1.063","","","","has coordinates","196990","2020-10-21","18:00:00",""
"7043731","34.6961","0.0006","34.6961","0.0006","16.7145","0.0003","90","","90","","120","","17425.5","0.5","110","2","110","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H24 F18 N5 O P2 Ru S -","- C30 H24 F18 N5 O P2 Ru S -","- C540 H432 F324 N90 O18 P36 Ru18 S18 -","18","1","","Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre","Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01540B","","","1.54178","CuKα","","0.0583","0.0478","","","0.1274","0.1379","","","","","","1.022","","","","has coordinates,has disorder","198877","2020-10-21","18:00:00",""
"7044151","9.459","0.002","9.459","0.002","26.619","0.01","90","","90","","120","","2062.6","1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H9 Bi S3 -","- C12 H9 Bi S3 -","- C72 H54 Bi6 S18 -","6","0.333333","","Preda, Ana Maria; Schneider, Wolfgang B.; Schaarschmidt, Dieter; Lang, Heinrich; Mertens, Lutz; Auer, Alexander A.; Mehring, Michael","The role of dispersion type metal···π interaction in the enantiotropic phase transition of two polymorphs of tris-(thienyl)bismuthine","Dalton Trans.","2017","","","","","10.1039/C7DT02567J","","","0.71073","MoKα","","0.0615","0.0386","","","0.0807","0.0844","","","","","","0.856","","","","has coordinates,has disorder","200392","2020-10-21","18:00:00",""
"7044185","27.8033","0.001","27.8033","0.001","21.6926","0.0015","90","","90","","120","","14522.3","1.2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 Fe2 N4 S4 -","- C20 H16 Fe2 N4 S4 -","- C360 H288 Fe36 N72 S72 -","18","1","","Halder, Partha; Ghorai, Santanu; Banerjee, Sridhar; Mondal, Biswajit; Rana, Atanu","Iron(II) Complexes of 2-Mercaptopyridine as Rubredoxin Site Analogues","Dalton Trans.","2017","","","","","10.1039/C7DT02645E","","","0.71073","MoKα","","0.0426","0.0318","","","0.0771","0.0794","","","","","","1.088","","","","has coordinates","200589","2020-10-21","18:00:00",""
"7044291","24.9941","0.0019","24.9941","0.0019","5.1946","0.0008","90","","90","","120","","2810.3","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6.33 H2.67 Cl0.67 N10 O8 -","- C6.34 H2.68 Cl0.68 N10 O8 -","- C57.06 H24.12 Cl6.12 N90 O72 -","9","0.5","","Yu, Qiong; Cheng, Guangbin; Ju, Xuehai; Lu, Chunxu; Lin, Qiuhan; Yang, Hongwei","An interesting 1,4,2,5-dioxadiazine-furazan system: structural modification by incorporating versatile functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT02098H","","","0.71073","MoKα","","0.1127","0.0503","","","0.1073","0.1291","","","","","","1.01","","","","has coordinates","201060","2020-10-21","18:00:00",""
"7044352","14.1257","0.0003","14.1257","0.0003","20.6905","0.0004","90","","90","","120","","3575.37","0.13","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H15 Co Dy N9 O12 -","- C18 H15 Co Dy N9 O12 -","- C108 H90 Co6 Dy6 N54 O72 -","6","0.333333","","Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe","“Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02717F","","","1.54178","CuKα","","0.0369","0.0348","","","0.0856","0.088","","","","","","1.05","","","","has coordinates","201490","2020-10-21","18:00:00",""
"7044559","36.5052","0.0009","36.5052","0.0009","26.8206","0.0006","90","","90","","120","","30953.4","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C120 H160 N2 O44 Ti10 -","- C120 H166 N2 O44 Ti10 -","- C1080 H1494 N18 O396 Ti90 -","9","0.5","","Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03470A","","","1.54178","CuKα","","0.1963","0.1127","","","0.3094","0.3559","","","","","","1.053","","","","has coordinates","202368","2020-10-21","18:00:00",""
"7044560","36.3512","0.0011","36.3512","0.0011","26.7591","0.001","90","","90","","120","","30622.4","1.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H158 O44 Ti10 -","- C120 H164 O44 Ti10 -","- C1080 H1476 O396 Ti90 -","9","0.5","","Ding, Qing-Rong; Liu, Jin-Xiu; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Construction of molecular rectangles with titanium‒oxo clusters and rigid aromatic carboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03470A","","","1.54178","CuKα","","0.1343","0.1054","","","0.3356","0.3797","","","","","","1.006","","","","has coordinates","202368","2020-10-21","18:00:00",""
"7044700","17.6135","0.0003","17.6135","0.0003","23.0663","0.0007","90","","90","","120","","6197.3","0.2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H24 Cu6 Mo24 N24 O80 P2 -","- C12 H18 Cu6 Mo24 N24 O80 P2 -","- C36 H54 Cu18 Mo72 N72 O240 P6 -","3","0.166667","","Jia, Mingjun; Song, Xiaojing; Yan, Yan; Wang, Yanning; Hu, Dianwen; Xiao, Lina; Yu, Jie-hui; Zhang, Wenxiang","Hybrid compounds assembled from copper-triazole complex and polyoxometalate acid as advanced catalysts for olefins oxidation with oxygen","Dalton Transactions","2017","","","","","10.1039/C7DT03198J","","","0.71073","MoKα","","0.029","0.0267","","","0.0704","0.0714","","","","","","1.185","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7044811","32.4787","0.0016","32.4787","0.0016","10.5745","0.0005","90","","90","","120","","9660.2","0.8","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20 H18 Br Cu N3 O4 -","- C20 H18 Br Cu N3 O4 -","- C360 H324 Br18 Cu18 N54 O72 -","18","1","","Yang, Xu-Feng; Liu, Min; Zhu, Hai-Bin; Hang, Cheng; Zhao, Yue","Syntheses, structures, and magnetic properties of two unique Cu(II)-based coordination polymers involving crystal-to-crystal structural transformation from 1D chain to 3D network","Dalton Transactions","2017","","","","","10.1039/C7DT03568C","","","0.71073","MoKα","","0.1089","0.0642","","","0.1243","0.1402","","","","","","1.033","","","","has coordinates","203326","2020-10-21","18:00:00",""
"7044909","7.2335","0.0019","7.2335","0.0019","17.751","0.009","90","","90","","120","","804.4","0.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- B6 Ba O12 Rb Y -","- B6 Ba O12 Rb Y -","- B18 Ba3 O36 Rb3 Y3 -","3","0.166667","","Chen, Xinglong; Zhang, Fangfang; Shi, Yunjing; Sun, Yanzhou; Yang, Zhihua; Pan, Shilie","MBaYB<sub>6</sub>O<sub>12</sub> (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","750","757","10.1039/c7dt04223j","","","0.71073","MoKα","","0.0268","0.0259","","","0.0739","0.0743","","","","","","1.271","","","","has coordinates","230067","2020-10-21","18:00:00",""
"7044910","7.2879","0.0004","7.2879","0.0004","18.072","0.003","90","","90","","120","","831.27","0.15","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- B6 Ba Cs O12 Y -","- B6 Ba Cs O12 Y -","- B18 Ba3 Cs3 O36 Y3 -","3","0.166667","","Chen, Xinglong; Zhang, Fangfang; Shi, Yunjing; Sun, Yanzhou; Yang, Zhihua; Pan, Shilie","MBaYB<sub>6</sub>O<sub>12</sub> (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","750","757","10.1039/c7dt04223j","","","0.71073","MoKα","","0.0167","0.0159","","","0.0406","0.041","","","","","","1.088","","","","has coordinates","230067","2020-10-21","18:00:00",""
"7044973","15.1961","0.0018","15.1961","0.0018","23.961","0.003","90","","90","","120","","4791.8","1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 Er O9 S3 -","- C30 H30 Er O9 S3 -","- C180 H180 Er6 O54 S18 -","6","0.333333","","Quah, Hong Sheng; Ng, Li Ting; Vittal, Jagadese J.","The role of structure and the metal ion in the fluorescence sensing of nitro compounds for a series of lanthanide(iii) 9,10-anthracene dicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","264","268","10.1039/c7dt04128d","","","0.71073","MoKα","","0.0532","0.0445","","","0.1182","0.1254","","","","","","1.12","","","","has coordinates","229392","2020-10-21","18:00:00",""
"7044974","15.229","0.002","15.229","0.002","23.906","0.004","90","","90","","120","","4801.5","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 Ho O9 S3 -","- C30 H30 Ho O9 S3 -","- C180 H180 Ho6 O54 S18 -","6","0.333333","","Quah, Hong Sheng; Ng, Li Ting; Vittal, Jagadese J.","The role of structure and the metal ion in the fluorescence sensing of nitro compounds for a series of lanthanide(iii) 9,10-anthracene dicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","264","268","10.1039/c7dt04128d","","","0.71073","MoKα","","0.0604","0.0487","","","0.1347","0.1423","","","","","","1.115","","","","has coordinates","229392","2020-10-21","18:00:00",""
"7045139","33.798","0.004","33.798","0.004","19.6172","0.0017","90","","90","","120","","19407","4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","sef3_14","sef3_14","","- C34 H37 Cl2 N4 P Ru -","- C34 H37 Cl2 N4 P Ru -","- C612 H666 Cl36 N72 P18 Ru18 -","18","1","","Flowers, S. E.; Johnson, M. C.; Pitre, B. Z.; Cossairt, B. M.","Synthetic routes to a coordinatively unsaturated ruthenium complex supported by a tripodal, protic bis(N-heterocyclic carbene) phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1276","1283","10.1039/c7dt04333c","","","0.71073","MoKα","","0.1388","0.0662","","","0.1377","0.1579","","","","","","0.963","","","","has coordinates","229524","2020-10-21","18:00:00",""
"7045182","25.1146","0.0019","25.1146","0.0019","18.3685","0.0016","90","","90","","120","","10033.6","1.4","180","1","180","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- Bi5.33 O16 Sr8 -","- Bi5.33333 O16 Sr8 -","- Bi96 O288 Sr144 -","18","1","","Yang, Yanquan; Li, Jian; Yuan, Youyou; Pan, Fengjuan; Shi, Dier; Lin, Cong; Du, Xin; Sun, Junliang","Synthesis and crystal structure of Sr<sub>3</sub>Bi<sub>2</sub>O<sub>6</sub> and structural change in the strontium-bismuth-oxide system.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1888","1894","10.1039/c7dt04610c","","","0.71073","MoKα","","0.0811","0.052","","","0.1134","0.1262","","","","","","0.994","","","","has coordinates","229580","2020-10-21","18:00:00",""
"7045233","12.3648","0.0012","12.3648","0.0012","14.547","0.003","90","","90","","120","","1926.1","0.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H24 Co N14 O6 -","- C18 H24 Co N14 O6 -","- C54 H72 Co3 N42 O18 -","3","0.166667","","Chen, Lei; Zhou, Jianjun; Cui, Hui-Hui; Yuan, Ai-Hua; Wang, Zhenxing; Zhang, Yi-Quan; Ouyang, Zhong-Wen; Song, You","Slow magnetic relaxation influenced by change of symmetry from ideal C<sub>i</sub> to D<sub>3d</sub> in cobalt(ii)-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2506","2510","10.1039/c7dt04651k","","","0.71073","MoKα","","0.0245","0.0235","","","0.0597","0.0603","","","","","","1.084","","","","has coordinates","229409","2020-10-21","18:00:00",""
"7046032","13.431","0.0011","13.431","0.0011","57.55","0.004","90","","90","","120","","8990.7","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H83 Al K N3 O3 -","- C58 H68.9997 Al K N3 O3 -","- C348 H413.998 Al6 K6 N18 O18 -","6","0.333333","","García-Valle, Francisco M; Tabernero, Vanessa; Cuenca, Tomás; Cano, Jesús; Mosquera, Marta E. G.","Schiff-base -ate derivatives with main group metals: generation of a tripodal aluminate metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6499","6506","10.1039/c8dt00835c","","x-ray","0.71073","MoKα","","0.0901","0.0618","","","0.1805","0.1995","","","","","","1.039","","","","has coordinates,has disorder","229871","2020-10-21","18:00:00",""
"7046580","14.418","0.0015","14.418","0.0015","21.872","0.004","90","","90","","120","","3937.6","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H54 Cl6 Fe3 N18 O6 -","- C36 H54 Cl6 Fe3 N18 O6 -","- C108 H162 Cl18 Fe9 N54 O18 -","3","0.166667","","Wu, Qiong; Han, Yanbing; Shao, Zhichao; Li, Junxia; Hou, Hongwei","Stable Fe(ii)-based coordination polymers: synthesis, structural diversity and catalytic applications in homo-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8063","8069","10.1039/c8dt01839a","","","0.71073","MoKα","","0.0695","0.0509","","","0.1138","0.1246","","","","","","1.068","","","","has coordinates","229226","2020-10-21","18:00:00",""
"7047175","18.893","0.003","18.893","0.003","26.092","0.005","90","","90","","120","","8066","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H72 Cu11 I13 N12 O20 Zn2 -","- C81 H72 Cu11 I13 N12 O20 Zn2 -","- C243 H216 Cu33 I39 N36 O60 Zn6 -","3","0.166667","","Liu, Jian-Jun; Xiang, Zheng; Guan, Ying-Fang; Huang, Chang-Cang; Lin, Mei-Jin","Two novel donor-acceptor hybrid heterostructures with enhanced visible-light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12041","12045","10.1039/c8dt02675k","","","0.71073","MoKα","","0.0851","0.0706","","","0.2163","0.2315","","","","","","1.041","","","","has coordinates","229951","2020-10-21","18:00:00",""
"7047203","34.1173","0.0018","34.1173","0.0018","21.0137","0.0011","90","","90","","120","","21182.8","1.9","88","2","88","2","","","","","","","","6","R -3 :H","-R 3","148","","[(TMEDA)Fe(II)(N3)-(μ-OH)-Fe(III)MST]","","- C39 H62 Fe2 N9 O7 S3 -","- C39 H62 Fe2 N9 O7 S3 -","- C702 H1116 Fe36 N162 O126 S54 -","18","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0511","0.0358","","","0.0879","0.0969","","","","","","1.019","","","","has coordinates,has disorder","229936","2020-10-21","18:00:00",""
"7047207","34.669","0.003","34.669","0.003","20.8648","0.0016","90","","90","","120","","21718","3","88","2","88","2","","","","","","","","6","R -3 :H","-R 3","148","","[(TMEDA)Fe(II)(NCS)-(μ-OH)-Fe(III)MST]","","- C40 H62 Fe2 N7 O7 S4 -","- C40 H62 Fe2 N7 O7 S4 -","- C720 H1116 Fe36 N126 O126 S72 -","18","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0379","0.029","","","0.074","0.0781","","","","","","1.041","","","","has coordinates,has disorder","229936","2020-10-21","18:00:00",""
"7047307","36.144","0.004","36.144","0.004","28.831","0.003","90","","90","","120","","32618","6","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H194 Cl15 Gd16 N27 O64 -","- C114 H194 Cl15 Gd16 N27 O64 -","- C684 H1164 Cl90 Gd96 N162 O384 -","6","0.333333","","Richardson, Paul; Hsu, Ting-Jung; Kuo, Che-Jung; Holmberg, Rebecca J.; Gabidullin, Bulat; Rouzières, Mathieu; Clérac, Rodolphe; Murugesu, Muralee; Lin, Po-Heng","[Ln<sub>16</sub>] complexes (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>): molecular analogues of natural minerals such as hydrotalcite.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12847","12851","10.1039/c8dt02609b","","","0.71073","MoKα","","0.09","0.0578","","","0.1397","0.1758","","","","","","1.086","","","","has coordinates","229304","2020-10-21","18:00:00",""
"7047308","35.8327","0.0007","35.8327","0.0007","28.8733","0.0007","90","","90","","120","","32106","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H182 Cl15 Dy16 N27 O67 -","- C114 H182 Cl15.0001 Dy16 N27 O67 -","- C684 H1092 Cl90.0006 Dy96 N162 O402 -","6","0.333333","","Richardson, Paul; Hsu, Ting-Jung; Kuo, Che-Jung; Holmberg, Rebecca J.; Gabidullin, Bulat; Rouzières, Mathieu; Clérac, Rodolphe; Murugesu, Muralee; Lin, Po-Heng","[Ln<sub>16</sub>] complexes (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>): molecular analogues of natural minerals such as hydrotalcite.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12847","12851","10.1039/c8dt02609b","","","0.71073","MoKα","","0.1112","0.0608","","","0.1432","0.1862","","","","","","1.039","","","","has coordinates,has disorder","229304","2020-10-21","18:00:00",""
"7048611","24.8256","0.0004","24.8256","0.0004","26.7247","0.0008","90","","90","","120","","14264.1","0.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H26 Co Li2 N2 O11 -","- C22 H8 Co Li2 N2 O11 -","- C396 H144 Co18 Li36 N36 O198 -","18","1","","Du, Zhen-Qiang; Li, Yong-Peng; Wang, Xing-Xia; Wang, Juan; Zhai, Quan-Guo","Enhanced electrochemical performance of Li-Co-BTC ternary metal-organic frameworks as cathode materials for lithium-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2013","2018","10.1039/c8dt04863k","","","0.71073","MoKα","","0.0528","0.0427","","","0.1352","0.1416","","","","","","1.098","","","","has coordinates","224162","2020-10-21","18:00:00",""
"7048695","14.0341","0.0004","14.0341","0.0004","34.1262","0.001","90","","90","","120","","5820.9","0.3","200","","200","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C34 H42 B N12 O P Ru S3 -","- C33.9966 H42 B N11.988 O0.9999 P Ru0.9999 S2.9997 -","- C203.98 H252 B6 N71.928 O5.9994 P6 Ru5.9994 S17.9982 -","6","0.333333","","Hill, Anthony F.; Schwich, Torsten; Xiong, Yaoyao","5-Mercaptotetrazolyl-derived metallaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2367","2376","10.1039/c8dt05036h","","","0.71073","MoKα","","0.0718","0.0531","","0.1257","0.1188","0.1257","","","","","","1.0587","","","","has coordinates","224303","2020-10-21","18:00:00",""
"7049162","20.2903","0.0012","20.2903","0.0012","15.0268","0.001","90","","90","","120","","5357.6","0.6","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 Nb3 S6 -","- C30 Nb3 S6 -","- C180 Nb18 S36 -","6","0.333333","","Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal","Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4203","4210","10.1039/c8dt05061a","","","0.71073","MoKα","","0.2374","0.1562","","","0.416","0.4604","","","","","","1.241","","","","has coordinates,has disorder","224284","2020-10-21","18:00:00",""
"7050163","27.3962","0.0016","27.3962","0.0016","12.6672","0.001","90","","90","","120","","8233.6","0.9","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 Ni O4 -","- C28 H58 N8 Ni O4 -","- C252 H522 N72 Ni9 O36 -","9","0.5","","Gülay Gümüş; Vefa Ahsen; Colette Lebrun; Dominique Luneau; Jacques Pécaut","Unprecedented tubular channels assemblies afforded by alkyl-substituted oxamide oxime metal complexes","New J. Chem.","2004","28","2","177","179","10.1039/b307783g","","","0.71073","MoKα","","0.0977","0.0534","","","0.1508","0.1702","","","","","","1.006","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050164","27.8737","0.0019","27.8737","0.0019","12.4102","0.0013","90","","90","","120","","8350.2","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 O4 Pd -","- C28 H58 N8 O4 Pd -","- C252 H522 N72 O36 Pd9 -","9","0.5","","Gülay Gümüş; Vefa Ahsen; Colette Lebrun; Dominique Luneau; Jacques Pécaut","Unprecedented tubular channels assemblies afforded by alkyl-substituted oxamide oxime metal complexes","New J. Chem.","2004","28","2","177","179","10.1039/b307783g","","","0.71073","MoKα","","0.1684","0.046","","","0.1049","0.1504","","","","","","0.651","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050268","14.6951","0.0012","14.6951","0.0012","12.813","0.002","90","","90","","120","","2396.2","0.5","120","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","catena-(octakis(μ ~3~-hydroxo)-tris((μ ~2~-oxalato-O,O') -(piperazine-N,N'))-hepta-nickel)","","- C18 H38 N6 Ni7 O20 -","- C18 H38 N6 Ni7 O20 -","- C54 H114 N18 Ni21 O60 -","3","0.166667","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Ferromagnetic coupling in a heptanuclear nickel cluster with a vertex-shared dicubane structure","New Journal of Chemistry","2004","28","5","558","","10.1039/b315323a","","","0.71073","MoKα","","0.1032","0.0575","","","0.1164","0.1318","","","","","","1.033","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050396","42.5519","0.0005","42.5519","0.0005","8.7407","0.0005","90","","90","","120","","13706.1","0.8","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H31 Cl3 O P Ta -","- C30 H31 Cl3 O P Ta -","- C540 H558 Cl54 O18 P18 Ta18 -","18","1","","Morise, Xavier; Green, Malcolm L. H.; Braunstein, Pierre; Rees, Leigh H.; Vei, Ino C.","Monocyclopentadienyl complexes of niobium, tantalum and tungsten containing heterodifunctional P,O ligands","New Journal of Chemistry","2003","27","1","32","38","10.1039/b202983a","","","0.71073","MoKα","","","0.0281","","","","0.0298","","","","","","1.0695","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050616","17.207","0.002","17.207","0.002","50.082","0.01","90","","90","","120","","12842","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","[TbCp*2(AMPTMS)]","","","- C29 H45 N2 Si Tb -","- C29 H45 N2 Si Tb -","- C522 H810 N36 Si18 Tb18 -","18","1","","Cole, Marcus L.; Junk, Peter C.","Synthesis and structure of the first non ?ate? heteroleptic lanthanoid complexes bearing monoanionic 2-amidopyridine ligands","New Journal of Chemistry","2003","27","7","1032","","10.1039/b304197b","","","0.71073","MoKα","","0.0359","0.0258","","","0.0564","0.0592","","","","","","1.056","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050719","38.4934","0.0007","38.4934","0.0007","9.7379","0.0002","90","","90","","120","","12495.9","0.4","150","1","150","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H23 Br2 N7 Os -","- C28 H23 Br2 N7 Os -","- C504 H414 Br36 N126 Os18 -","18","1","","Das, Chayan; Peng, Shie-Ming; Lee, Gene-Hsiang; Goswami, Sreebrata","Osmium(II) complexes of 2-[(arylamido)phenylazo]pyridines. New examples of deamination reactions—X-ray structure and redox propertiesElectronic supplementary information (ESI) available: partial energy level diagrams and molecular orbitals of 1a, 2a and 4a, UV-vis spectra of 4 complexes and cyclic voltammograms of 1b, 2b and 4b. See http://www.rsc.org/suppdata/nj/b1/b108507g/","New Journal of Chemistry","2002","26","2","222","","10.1039/b108507g","","","0.71073","MoKα","","0.0399","0.0285","","0.0726","0.0611","","","","1.15","1.035","1.035","","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7051243","27.512","0.004","27.5123","","25.092","0.003","90","","90","","120","","16448","3","296.2","","296.2","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38 H33.5 N6 Ni O4.75 S2 -","- C38 H32 N6 Ni O4.5695 S2 -","- C684 H576 N108 Ni18 O82.251 S36 -","18","1","","Bermejo, Manuel R.; Sousa, Antonio; Fondo, Matilde; Helliwell, Madeleine","Rearrangement and co-ordination of 1-[(4-methylphenyl)- sulfonamido]-2-[1-(2-pyridylmethylidene)amino]benzene","New Journal of Chemistry","2000","24","1","33","","10.1039/a907731f","","","1.5418","CuKα","","0.1707","0.0699","","0.0559","0.0489","","","","1.619","2.012","2.012","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7051313","29.293","0.004","29.293","0.004","18.476","0.004","90","","90","","120","","13730","4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28 H34.33 Fe2 N6 Ni O1.17 S2 -","- C28 H34.34 Fe2 N6 Ni O1.16667 S2 -","- C504 H618.12 Fe36 N108 Ni18 O21 S36 -","18","1","","Fang Chen-jie; Duan Chun-ying; He Cheng; Han Gang; Meng Qing-jin","A supramolecular analog of cyclohexane sustained by aromatic C‒H···π interactions between ferrocene moieties: molecular packing of ferrocene-containing thiosemicarbazato metal complexes","New J. Chem.","2000","24","9","697","701","10.1039/b002590i","","","0.71073","MoKα","","0.1224","0.0683","","","0.1676","0.1994","","","","","","1.009","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051408","27.842","0.006","27.842","0.006","12.445","0.004","90","","90","","120","","8354.6","3.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H26.5 F12 N3.5 P2 -","- C31 H26.5 F12 N3.5 P2 -","- C279 H238.5 F108 N31.5 P18 -","9","0.5","","","","New Journal of Chemistry","1999","","","","","10.1039/a809433k","","","","","","","0.0754","","","0.2145","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051635","38.012","0.001","38.012","0.001","15.523","0.001","90","","90","","120","","19424.4","1.4","115","2","115","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C41 H38.222 Cu F6 N6 O1.444 P S3 -","- C40.99 H37.98 Cu F6 N6 O1.44 P S3 -","- C737.82 H683.64 Cu18 F108 N108 O25.92 P18 S54 -","18","1","","Wang, Leyong; Chambron, Jean-Claude; Espinosa, Enrique","Versatility and dynamics of the copper(i) coordination sphere in sterically hindering tris(pyrazolyl)methane-incorporating macrobicycles","New Journal of Chemistry","2009","33","2","327","","10.1039/b816275a","","","0.71069","MoKα","","0.0876","0.052","","","0.1219","0.1393","","","","","","1.019","","","","has coordinates,has disorder","180070","2020-10-21","18:00:00",""
"7051639","19.8865","0.0006","19.8865","0.0006","48.236","0.003","90","","90","","120","","16520.3","1.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C192 H144 B8 F32 N36 Zn4 -","- C192 H144 B4 F16 N36 Zn6 -","- C576 H432 B12 F48 N108 Zn18 -","3","0.166667","","Tidmarsh, Ian S.; Taylor, Brian F.; Hardie, Michaele J.; Russo, Luca; Clegg, William; Ward, Michael D.","Further investigations into tetrahedral M4L6 cage complexes containing guest anions: new structures and NMR spectroscopic studies","New Journal of Chemistry","2009","33","2","366","","10.1039/b816864d","","","0.71073","MoKα","","0.2118","0.1872","","","0.4858","0.5105","","","","","","2.161","","","","has coordinates,has disorder","180070","2020-10-21","18:00:00",""
"7052137","37.1517","0.0005","37.1517","0.0005","19.4231","0.0003","90","","90","","120","","23217","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H58 Br2 N2 O4 -","- C54 H58 Br2 N2 O4 -","- C972 H1044 Br36 N36 O72 -","18","1","","van de Coevering, Rob; Bruijnincx, Pieter C. A.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Ionic core‒shell dendrimers with a polycationic core: structural aspects and host‒guest binding properties","New Journal of Chemistry","2007","31","7","1337","","10.1039/b617669k","","","0.71073","MoKα","","0.0758","0.0586","","","0.1749","0.1881","","","","","","1.082","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052271","16.6939","0.0009","16.6939","0.0009","20.5208","0.0011","90","","90","","120","","4952.7","0.5","200","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H41 Br3 N6 O4 -","- C30 H41 Br3 N6 O3.99999 -","- C180 H246 Br18 N36 O23.9999 -","6","0.333333","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","0.71073","MoKα","","","0.028","","","","0.028","","","","","","1.12","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052567","46.4651","0.0011","46.4651","0.0011","12.0334","0.0003","90","","90","","120","","22499.5","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","4.2Pic","","","- C43 H42 N O10 -","- C43 H42.01 N O10 -","- C774 H756.18 N18 O180 -","18","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Calixarene nanotubes: structural tolerance towards pyridine templates","New Journal of Chemistry","2011","35","1","28","","10.1039/c0nj00605j","","","0.7749","synchrotron","","0.1219","0.1118","","","0.322","0.3288","","","","","","2.584","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052603","27.8503","0.0009","27.8503","0.0009","31.8394","0.0013","90","","90","","120","","21387.3","1.3","296","0.1","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H123 Cl12 Fe11 N0 O42 -","- C126 H117 Cl12 Fe11 O42 -","- C756 H702 Cl72 Fe66 O252 -","6","0.333333","","Sañudo, E. C.; Font-Bardia, M.; Solans, X.; Laye, R. H.","Hexanuclear Fe(iii) complexes and their thermal decomposition into an undecanuclear species","New Journal of Chemistry","2011","35","4","842","","10.1039/c0nj00621a","","","0.71073","MoKα","","0.1083","0.074","","","0.1912","0.2324","","","","","","1.071","","","","has coordinates,has disorder","180080","2020-10-21","18:00:00",""
"7052821","28.803","0.004","28.803","0.004","44.831","0.009","90","","90","","120","","32210","9","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H111 Cl15 N54 O76 Sm6 -","- C113.98 H84 Cl14.97 N54.005 O75.97 Sm6 -","- C683.88 H504 Cl89.82 N324.03 O455.82 Sm36 -","6","0.333333","","Wu, Xiao; Lin, Zhihua; He, Cheng; Duan, Chunying","Catalytic performance of lanthanide molecular solids containing well-modified metal‒organic octahedra","New Journal of Chemistry","2012","36","1","161","","10.1039/c1nj20736a","","","0.71073","MoKα","","0.1788","0.0791","","","0.2111","0.2605","","","","","","0.952","","","","has coordinates,has disorder","180082","2020-10-21","18:00:00",""
"7052869","18.669","0.005","18.669","0.005","16.853","0.005","90","0.005","90","0.005","120","0.005","5087","2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H16 N2 -","- C13 H16 N2 -","- C234 H288 N36 -","18","1","","Sarkar, Parantap; Jeon, Ie-Rang; Durola, Fabien; Bock, Harald","Tetraazaarenes by the ceramidonine approach","New Journal of Chemistry","2012","36","3","570","","10.1039/c2nj21033a","","","0.71073","MoKα","","0.0522","0.043","","","0.1245","0.1388","","","","","","1.049","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7053003","34.465","0.013","34.465","0.013","7.825","0.003","90","","90","","120","","8050","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C378 H306 N54 O54 -","18","1","","Xu, Huajie; Liu, Zhaodi; Sheng, Liangquan; Chen, Mingming; Huang, Deqian; Zhang, Hong; Song, Chongfu; Chen, Shuisheng","A novel “turn-on” fluorescent probe for Fe3+ in aqueous media based on CN isomerization","New Journal of Chemistry","2013","37","2","274","","10.1039/c2nj40767a","","","0.71073","MoKα","","0.0571","0.0415","","","0.1007","0.11","","","","","","1.029","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053017","32.989","0.007","32.989","0.007","7.098","0.002","90","","90","","120","","6690","3","100","2","100","2","","","","","","","Claudia Caltagirone","4","R -3 :H","-R 3","148","","","","- C21 H26 N4 O4 -","- C18 H14 N4 O -","- C324 H252 N72 O18 -","18","1","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.099","0.0712","","","0.1314","0.1421","","","","","","1.164","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053252","37.8856","0.001","37.8856","0.001","16.3396","0.0009","90","","90","","120","","20310.5","1.4","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H108 Cl4 N36 O38 -","- C58 H80 Cl4 N36 O32 -","- C522 H720 Cl36 N324 O288 -","9","0.5","","Wu, Xiao-jun; Hu, Kai; Meng, Xiang-gao; Cheng, Gong-zhen","A cucurbit[8]uril inclusion complex with 1,7-dimethyl-1,4,7,10-tetraazacyclododecane tetrachloride","New Journal of Chemistry","2010","34","1","17","","10.1039/b9nj00218a","","","0.71073","MoKα","","0.1487","0.0961","","","0.2676","0.2927","","","","","","0.957","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053550","15.4367","0.0009","15.4367","0.0009","35.721","0.004","90","","90","","120","","7371.6","1","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C78 H96 N6 Na6 Ni7 O49 -","- C78 H72 N6 Na6 Ni7 O49 -","- C234 H216 N18 Na18 Ni21 O147 -","3","0.166667","","Leong, Wei Lee; Vittal, Jagadese J.","Alkali metal ion directed self-assembled Ni(ii) molecular clusters","New Journal of Chemistry","2010","34","10","2145","","10.1039/c0nj00157k","","","0.71073","MoKα","","0.1393","0.0795","","","0.19","0.211","","","","","","1.032","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053622","23.494","0.005","23.494","0.005","10.003","0.003","90","","90","","120","","4782","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H14 Cu N4 O4 -","- C20 H14 Cu N4 O4 -","- C180 H126 Cu9 N36 O36 -","9","0.5","","Aijaz, Arshad; Lama, Prem; Sañudo, E. Carolina; Mishra, Rupali; Bharadwaj, Parimal K.","Coordination polymers of various architectures built with mixed imidazole/benzimidazole and carboxylate donor ligands and different metal ions: syntheses, structural features and magnetic properties","New Journal of Chemistry","2010","34","11","2502","","10.1039/c0nj00302f","","","0.71073","MoKα","","0.0763","0.0549","","","0.1779","0.2118","","","","","","1.122","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053689","21.7465","0.001","21.7465","0.001","16.8412","0.0015","90","","90","","120","","6897.4","0.8","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H24 O3 -","- C30 H24 O3 -","- C360 H288 O36 -","12","0.666667","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Interpenetration of distinct 2D and 3D organic networks in the crystal structure of 1,3,5-tris(4-methylbenzoyl)benzene","New Journal of Chemistry","2004","28","10","1192","","10.1039/b408481k","","","0.71073","MoKα","","0.0945","0.0544","","","0.1394","0.1591","","","","","","1.038","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053728","22.0699","0.0016","22.0699","0.0016","25.746","0.004","90","","90","","120","","10860","2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","UH124","","","- C48 H48 Au B Cl4 F4 Fe2 N4 -","- C48 H48 Au B Cl4 F4 Fe2 N4 -","- C432 H432 Au9 B9 Cl36 F36 Fe18 N36 -","9","0.5","","Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G.","A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation","New Journal of Chemistry","2008","32","3","533","","10.1039/b713917a","","","0.71073","MoKα","","0.0929","0.0521","","","0.1261","0.1411","","","","","","0.922","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053785","37.21","0.002","37.21","0.002","25.915","0.004","90","","90","","120","","31074","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C146 H227 N O28 -","- C146 H227 N O28 -","- C1314 H2043 N9 O252 -","9","0.5","","Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W.","Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes","New Journal of Chemistry","2009","33","7","1563","","10.1039/b823160e","","","0.71073","MoKα","","0.3292","0.1898","","","0.4486","0.536","","","","","","1.601","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053786","37.052","0.002","37.052","0.002","25.8772","0.0019","90","","90","","120","","30766","3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C71 H110 O15 -","- C71 H103 O15 -","- C1278 H1854 O270 -","18","1","","Kulikov, Oleg V.; Rath, Nigam P.; Zhou, Dan; Carasel, I. Alexandru; Gokel, George W.","Guest molecule entrapment by both capsule and hydrocarbon sidechains in self-assembled pyrogallol[4]arenes","New Journal of Chemistry","2009","33","7","1563","","10.1039/b823160e","","","0.71073","MoKα","","0.2448","0.1301","","","0.3501","0.4327","","","","","","1.335","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053980","16.5929","0.0016","16.5929","0.0016","33.137","0.005","90","","90","","120","","7901.1","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","{[Cu2(1-tza)4].Br.H3O.1/3H2O}","[Cu2(1-tza)4]BrH3O1/3H2O","","- C12 H15.67 Br Cu2 N16 O9.33 -","- C12 H12 Br Cu2 N16 O9.33333 -","- C108 H108 Br9 Cu18 N144 O84 -","9","0.5","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0631","0.0496","","","0.1663","0.1779","","","","","","1.024","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7054374","19.708","0.003","19.708","0.003","30.193","0.004","90","","90","","120","","10156","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H126.12 Mn6 N12 O54.12 -","- C144 H120.624 Mn6 N12 O50.114 -","- C432 H361.872 Mn18 N36 O150.342 -","3","0.166667","","Najafpour, Mohammad Mahdi; Amini, Mojtaba; Hołyńska, Małgorzata; Zare, Maryam; Amini, Emad","A hexanuclear manganese(ii) complex: synthesis, characterization and catalytic activity toward organic sulfide oxidation","New J. Chem.","2014","38","10","5069","","10.1039/C4NJ01159G","","","0.71073","MoKα","","0.0576","0.0293","","","0.0395","0.041","","","","","","1.002","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054525","21.563","0.004","21.563","0.004","24.14","0.008","90","","90","","120","","9720","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N3 O5.5 V -","- C22 H18 N3 O5.5 V -","- C396 H324 N54 O99 V18 -","18","1","","Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng","Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance","New J. Chem.","2015","39","2","1067","","10.1039/C4NJ01525H","","","0.71073","MoKα","","0.0874","0.0632","","","0.172","0.2031","","","","","","1.043","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054780","18.6062","0.0018","18.6062","0.0018","30.69","0.03","90","","90","","120","","9201","9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","[Cu3(L)(CO3)(ClO4)3](ClO4)","","","- C52 H69 Cl4 Cu3 N9 O22 -","- C52 H69 Cl4 Cu3 N9 O22 -","- C312 H414 Cl24 Cu18 N54 O132 -","6","0.333333","","Massoud, Salah S.; Louka, Febee R.; Al-Hasan, Mustafa A.; Vicente, Ramon; Mautner, Franz A.","Magneto-structural properties of carbonato-bridged copper(ii) complexes: fixation of atmospheric CO2","New J. Chem.","2015","39","8","5944","","10.1039/C5NJ00285K","","","0.71073","MoKα","","0.0841","0.077","","","0.1849","0.1895","","","","","","1.177","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054878","49.697","0.005","49.697","0.005","10.6526","0.0012","90","","90","","120","","22785","4","143","1","143","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H74 Ce K N6 O4 -","- C43 H72 Ce K N6 O4 -","- C774 H1296 Ce18 K18 N108 O72 -","18","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.1606","0.0649","","","0.1335","0.171","","","","","","0.8","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054924","46.312","0.003","46.312","0.003","5.6266","0.0005","90","","90","","120","","10451.1","1.3","175","","175","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C29.166 H31.25 N1.08 -","- C29.1667 H31 N1.08333 -","- C525 H558 N19.5 -","18","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.2244","0.0713","","0.0893","0.0424","0.0424","","","","","","1.1478","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055082","18.766","0.003","18.766","0.003","24.688","0.002","90","","90","","120","","7529.4","1.8","120","0.1","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H30 Cl6 N6 O11 Pd3 -","- C42 H30 Cl6 N6 O11 Pd3 -","- C252 H180 Cl36 N36 O66 Pd18 -","6","0.333333","","Karami, Kazem; Lighvan, Zohreh Mehri; Barzani, Somayeh Asgari; Faal, Ali Yeganeh; Poshteh-Shirani, Marziyeh; Khayamian, Taghi; Eigner, Václav; Dušek, Michal","Design and synthesis of a novel trinuclear palladium(ii) complex containing an oxime chelate ligand: determining the interaction mechanism with the DNA groove and BSA site I by spectroscopic and molecular dynamics simulation approaches","New J. Chem.","2015","39","11","8708","","10.1039/C5NJ01280E","","x-ray","1.54184","CuKα","","0.1268","0.0726","","","0.1653","0.1956","","","","1.69","1.69","1.37","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055140","43.8659","0.0011","43.8659","0.0011","9.541","0.0003","90","","90","","120","","15899.3","0.8","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C26 H22 Cl Co Hg N10 O4 S4 -","- C26 H22.315 Cl Co Hg N10 O4 S4 -","- C468 H401.67 Cl18 Co18 Hg18 N180 O72 S72 -","18","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.0917","0.0513","","","0.1304","0.1401","","","","","","0.91","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055478","13.7134","0.001","13.7134","0.001","53.18","0.007","90","","90","","120","","8661","1.4","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H66 Cl7 Cu N6 O3 S3 -","- C48 H66 Cl7 Cu N6 O3 S3 -","- C288 H396 Cl42 Cu6 N36 O18 S18 -","6","0.333333","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","0.71073","MoKα","","0.0553","0.0446","","","0.1134","0.1188","","","","","","1.103","","","","has coordinates,has disorder","183723","2020-10-21","18:00:00",""
"7055676","12.9099","0.0017","12.9099","0.0017","25.375","0.004","90","","90","","120","","3662.5","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H18 Ca Cl2 N6 O24 Pb6 -","- C42 H18 Ca Cl2 N6 O24 Pb6 -","- C126 H54 Ca3 Cl6 N18 O72 Pb18 -","3","0.166667","","Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng","Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties","New J. Chem.","2016","40","9","7587","","10.1039/C6NJ01231K","","","0.71073","MoKα","","0.0521","0.0487","","","0.0971","0.0984","","","","","","1.08","","","","has coordinates","186471","2020-10-21","18:00:00",""
"7055895","21.187","0.01","21.187","0.01","21.9","0.02","90","","90","","120","","8514","10","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20.5 Cu N1.5 O9 -","- C16 H11 Cu N O6 -","- C288 H198 Cu18 N18 O108 -","18","1","","Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi","Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies","New J. Chem.","2017","41","3","1046","","10.1039/C6NJ02863B","","","0.71073","MoKα","","0.0826","0.051","","","0.0992","0.1078","","","","","","0.947","","","","has coordinates,has disorder","191706","2020-10-21","18:00:00",""
"7056062","12.9295","0.0006","12.9295","0.0006","31.955","0.003","90","","90","","120","","4626.3","0.5","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H36 Cl N6 Ni O7 Sb -","- C27 H36 Cl N6 Ni O7 Sb -","- C162 H216 Cl6 N36 Ni6 O42 Sb6 -","6","0.333333","","Dudkin, Semyon V.; Belov, Alexander S.; Nelyubina, Yulia V.; Savchuk, Anastasia V.; Pavlov, Alexander A.; Novikov, Valentin V.; Voloshin, Yan Z.","Synthesis, X-ray structure and electrochemical properties of hybrid binuclear metallophthalocyaninate-capped tris-pyridineoximates","New J. Chem.","2017","41","9","3251","","10.1039/C7NJ00131B","","","0.71073","MoKα","","0.0467","0.0377","","","0.1185","0.1279","","","","","","1.015","","","","has coordinates,has disorder","196492","2020-10-21","18:00:00",""
"7056182","14.728","0.0017","14.728","0.0017","23.716","0.005","90","","90","","120","","4455.1","1.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H92 N8 O19 P6 -","- C30 H92.0004 N8 O19 P6 -","- C90 H276.001 N24 O57 P18 -","3","0.166667","","Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen","Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals","New J. Chem.","2017","","","","","10.1039/C7NJ00612H","","","0.71073","MoKα","","0.1047","0.0775","","","0.2244","0.2479","","","","","","1.057","","","","has coordinates","196738","2020-10-21","18:00:00",""
"7056525","21.8983","0.0008","21.8983","0.0008","21.2428","0.0008","90","","90","","120","","8821.9","0.6","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C23 H20.5 O4.25 -","- C23 H20 O4.25 -","- C414 H360 O76.5 -","18","1","","talhi, oualid; Abdeldjebar, Hasnia; Belmiloud, Yamina; Hassaine, Ridha; Taibi, Nadia; Valega, Monica; Almeida Paz, Filipe Alexandre; Brahimi, Meziane; Bachari, Khaldoun; Silva, Artur M. S.","Organobase Catalysed One-pot Exo-selective Synthesis of meso-Spiro[Cyclohexanone-Pyrandione] Derivatives","New J. Chem.","2017","","","","","10.1039/C7NJ02168B","","","0.71073","MoKα","","0.0928","0.0603","","","0.1786","0.2048","","","","","","1.06","","","","has coordinates,has disorder","199847","2020-10-21","18:00:00",""
"7056554","22.2759","0.0003","22.2759","0.0003","16.4697","0.0006","90","","90","","120","","7077.6","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cl6 Cu7 N12 O21 Zn2 -","- C84 H102 Cl6 Cu7 N12 O20.9998 Zn2 -","- C252 H306 Cl18 Cu21 N36 O62.9994 Zn6 -","3","0.166667","","Li, Xiaoqin; Ma, Dan; Cao, Bingran; Lu, Ying","Windmill-type mixed-metal clusters containing schiff-base ligands as efficient catalyst for cyclohexene oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ02359F","","","0.71073","MoKα","","0.0792","0.0653","","","0.1808","0.1934","","","","","","1.038","","","","has coordinates,has disorder","199983","2020-10-21","18:00:00",""
"7056555","22.3264","0.0003","22.3264","0.0003","16.4388","0.0006","90","","90","","120","","7096.4","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cl6 Cu7 Mn2 N12 O21 -","- C84 H102 Cl6 Cu7 Mn2 N12 O20.9998 -","- C252 H306.001 Cl18 Cu21 Mn6 N36 O62.9994 -","3","0.166667","","Li, Xiaoqin; Ma, Dan; Cao, Bingran; Lu, Ying","Windmill-type mixed-metal clusters containing schiff-base ligands as efficient catalyst for cyclohexene oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ02359F","","","0.71073","MoKα","","0.0707","0.0511","","","0.1285","0.147","","","","","","1.027","","","","has coordinates,has disorder","199983","2020-10-21","18:00:00",""
"7056707","14.2613","0.0007","14.2613","0.0007","30.489","0.002","90","","90","","120","","5370.2","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H28 Fe N6 O6.5 -","- C39 H27.9999 Fe N6 O6.5 -","- C234 H167.999 Fe6 N36 O39 -","6","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.1015","0.0751","","","0.2468","0.2725","","","","","","1.099","","","","has coordinates,has disorder","202295","2020-10-21","18:00:00",""
"7056709","13.7398","0.0016","13.7398","0.0016","33.05","0.007","90","","90","","120","","5403.3","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H28 Fe N6 O6.5 -","- C39 H27 Fe N6 O6.5 -","- C234 H162 Fe6 N36 O39 -","6","0.333333","","Lee, Sze-Ling; Hu, Fei-long; Shang, Xiu-Juan; Shi, Yi-Xiang; Tan, Ai Ling; Mizera, Jens; Clegg, Jack Kay; Zhang, Wen-Hua; Young, David James; Lang, Jian-Ping","Efficient ring-opening polymerization (ROP) of ɛ-caprolactone catalysed by isomeric pyridyl β-diketonate iron(lll) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ03571C","","","0.71073","MoKα","","0.0836","0.0721","","","0.1807","0.19","","","","","","1.22","","","","has coordinates,has disorder","202295","2020-10-21","18:00:00",""
"7056749","14.7935","0.0005","14.7935","0.0005","42.5752","0.0016","90","","90","","120","","8069.2","0.5","301","2","301","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H58 F6 N7 P -","- C60 H58 F6.006 N7 P -","- C360 H348 F36.036 N42 P6 -","6","0.333333","","Jonah, Tosin M.; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.; Kavallieratos, Konstantinos","Remarkably selective NH4+ binding and fluorescence sensing by tripodal tris(pyrazolyl) receptors derived from 1,3,5-triethylbenzene: structural and theoretical insights on the role of ion pairing","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03213G","","","0.71073","MoKα","","0.1473","0.082","","","0.1814","0.212","","","","","","1.027","","","","has coordinates,has disorder","203228","2020-10-21","18:00:00",""
"7057038","12.4744","0.0003","12.4744","0.0003","45.03","0.0012","90","","90","","120","","6068.4","0.3","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C62.78 H77.55 Br2 Cl5.56 K2 N22 O12 -","- C62.7798 H77.5476 Br2 Cl5.5596 K2 N22 O12 -","- C188.339 H232.643 Br6 Cl16.6788 K6 N66 O36 -","3","0.166667","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","1.54178","CuKα","","0.0307","0.0299","","","0.0817","0.0823","","","","","","1.097","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057041","12.497","0.0008","12.497","0.0008","40.188","0.003","90","","90","","120","","5435.5","0.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C61 H74 Cl4 K2 N22 O12 -","- C61.0002 H74.0004 Cl4.0004 K2 N22 O12 -","- C183.001 H222.001 Cl12.0012 K6 N66 O36 -","3","0.166667","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0603","0.0419","","","0.0995","0.1084","","","","","","1.036","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057112","12.1835","0.0013","12.1835","0.0013","38.086","0.005","90","","90","","120","","4896","1","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Cd Cl2 N14 O8 -","- C66 H66 Cd Cl2 N14 O8 -","- C198 H198 Cd3 Cl6 N42 O24 -","3","0.166667","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.1003","0.0934","","","0.2668","0.2781","","","","","","1.107","","","","has coordinates","230423","2020-10-21","18:00:00",""
"7057113","13.094","0.003","13.094","0.003","37.435","0.01","90","","90","","120","","5558","2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H66 Cd Cl2 N14 -","- C66 H66 Cd Cl2 N14 -","- C198 H198 Cd3 Cl6 N42 -","3","0.166667","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.0631","0.0506","","","0.1351","0.1418","","","","","","1.054","","","","has coordinates","230423","2020-10-21","18:00:00",""
"7057696","40.2679","0.0007","40.2679","0.0007","13.0215","0.0002","90","","90","","120","","18285.6","0.5","180","","180","","","","101","","","","","3","R -3 :H","-R 3","148","","","","- C47 H52 O4 -","- C47 H52 O4 -","- C846 H936 O72 -","18","1","","Slavík, P.; Eigner, V.; Lhoták, P.","meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents","New Journal of Chemistry","2018","42","20","16646","","10.1039/C8NJ02577K","","","1.5418","CuKα","","0.0584","0.0545","","0.1373","0.1334","0.1372","","","","","","0.9828","","","","has coordinates,has disorder","230354","2020-10-21","18:00:00",""
"7058100","29.0717","0.0018","29.0717","0.0018","32.901","0.002","90","","90","","120","","24081","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- Cr3 Cs6 Dy3 Ge3 K4.5 Na7 O136.5 W30 -","- Cr3 Cs6 Dy3 Ge3 K4.5 Na7 O136.5 W30 -","- Cr18 Cs36 Dy18 Ge18 K27 Na42 O819 W180 -","6","0.333333","","Gu, Ya-Nan; Yu, Hao; Lin, Li-Dan; Wu, Yan-Lan; Li, Zhong; Pan, Wen-Yue; He, Jiang; Chen, Ling; Li, Qi; Li, Xin-Xiong","Two rare Cr–Ln (Ln = Dy, Tb) heterometallic cluster substituted polyoxometalates featuring hexameric aggregates: hydrothermal syntheses, crystal structures and magnetic studies","New Journal of Chemistry","2019","43","7","3011","","10.1039/C8NJ06327C","","","0.71073","MoKα","","0.0452","0.0376","","","0.0953","0.0995","","","","","","1.028","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7058101","29.0355","0.0011","29.0355","0.0011","32.8451","0.0013","90","","90","","120","","23980.6","1.6","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- Cr3 Cs6 Ge3 K4.5 Na7 O136.5 Tb3 W30 -","- Cr3 Cs6 Ge3 K4.5 Na7 O136.5 Tb3 W30 -","- Cr18 Cs36 Ge18 K27 Na42 O819 Tb18 W180 -","6","0.333333","","Gu, Ya-Nan; Yu, Hao; Lin, Li-Dan; Wu, Yan-Lan; Li, Zhong; Pan, Wen-Yue; He, Jiang; Chen, Ling; Li, Qi; Li, Xin-Xiong","Two rare Cr‒Ln (Ln = Dy, Tb) heterometallic cluster substituted polyoxometalates featuring hexameric aggregates: hydrothermal syntheses, crystal structures and magnetic studies","New Journal of Chemistry","2019","43","7","3011","","10.1039/C8NJ06327C","","","0.71073","MoKα","","0.0393","0.031","","","0.0744","0.0773","","","","","","1.059","","","","has coordinates","224885","2020-10-21","18:00:00",""
"7058108","38.41","0.003","38.41","0.003","12.7948","0.0011","90","","90","","120","","16348","2","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C50.52 H66 Br4 Cl1.48 N8.52 Ni2 O14 Pb2 S2.52 -","- C50.514 H58 Br4 Cl1.486 N8.514 Ni2 O14 Pb2 S2.514 -","- C454.626 H522 Br36 Cl13.374 N76.626 Ni18 O126 Pb18 S22.626 -","9","0.5","","Roy, Sourav; Dey, Arka; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","A tetranuclear nickel/lead complex with a salen type Schiff base: synthesis, structure and exploration of photosensitive Schottky barrier diode behaviour","New Journal of Chemistry","2019","43","13","5020","","10.1039/C8NJ05616A","","","0.71073","MoKα","","0.1271","0.0722","","","0.1178","0.1346","","","","","","0.989","","","","has coordinates,has disorder","224870","2020-10-21","18:00:00",""
"7058136","13.445","0.0018","13.445","0.0018","29.702","0.008","90","","90","","120","","4649.8","1.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H84 N6 O7 Tb2 -","- C66 H84 N6 O7 Tb2 -","- C198 H252 N18 O21 Tb6 -","3","0.166667","","Wen, He-Rui; Zhang, Jia-Li; Liang, Fu-Yong; Yang, Kai; Liu, Sui-Jun; Liao, Jin-Sheng; Liu, Cai-Ming","TbIII/3d‒TbIII clusters derived from a 1,4,7-triazacyclononane-based hexadentate ligand with field-induced slow magnetic relaxation and oxygen-sensitive luminescence","New Journal of Chemistry","2019","43","10","4067","","10.1039/C8NJ05777J","","","0.71073","MoKα","","0.095","0.0756","","","0.1906","0.2153","","","","","","1.06","","","","has coordinates","224692","2020-10-21","18:00:00",""
"7058238","16.8427","0.0002","16.8427","0.0002","6.8112","0.0001","90","","90","","120","","1673.31","0.04","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- O30 Pr7 W6.25 Zn0.75 -","- O30 Pr7 W6.25 Zn0.75 -","- O90 Pr21 W18.75 Zn2.25 -","3","0.166667","","Lacorre, Philippe","On the crystal structures of Pr7W6.25M0.75O30 (M = Zn, Co) and so-called MPr2W2O10 (M = Co, Mn, Cd)","New Journal of Chemistry","2019","43","15","5662","","10.1039/C9NJ00548J","powder diffraction","","1.54056","X-rayCuKα","","","","","","","","","7.79","4.32","","","","","","","has coordinates","224911","2020-10-21","18:00:00",""
"7058239","16.8341","0.0002","16.8341","0.0002","6.8079","0.0001","90","","90","","120","","1670.8","0.04","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Co0.75 O30 Pr7 W6.25 -","- Co0.75 O30 Pr7 W6.25 -","- Co2.25 O90 Pr21 W18.75 -","3","0.166667","","Lacorre, Philippe","On the crystal structures of Pr7W6.25M0.75O30 (M = Zn, Co) and so-called MPr2W2O10 (M = Co, Mn, Cd)","New Journal of Chemistry","2019","43","15","5662","","10.1039/C9NJ00548J","powder diffraction","","1.54056","X-rayCuKα","","","","","","","","","4.18","3.06","","","","","","","has coordinates","224911","2020-10-21","18:00:00",""
"7059112","23.0203","0.0008","23.0203","0.0008","16.4877","0.0012","90","","90","","120","","7566.8","0.7","299","2","299","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H60 Ag3 N15 -","- C48 H60 Ag3 N15 -","- C288 H360 Ag18 N90 -","6","0.333333","","Jana, Oishi; Mani, Ganesan","New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand","New Journal of Chemistry","2017","41","17","9361","","10.1039/C7NJ01009E","","","0.71073","MoKα","","0.0827","0.0385","","","0.0575","0.0664","","","","","","0.959","","","","has coordinates","235710","2020-10-21","18:00:00",""
"7059275","29.6557","0.0007","29.6557","0.0007","9.9045","0.0003","90","","90","","120","","7543.6","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H15 Br N2 O2 S -","- C18 H15 Br N2 O2 S -","- C324 H270 Br18 N36 O36 S18 -","18","1","","Basu, Pallabita; Hazra, Chiranjit; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of tetrahydrothiopyrano[2,3-b]indoles via [3+3] annulation of nitroallylic acetates with indoline-2-thiones","New Journal of Chemistry","2020","44","4","1389","1399","10.1039/C9NJ04754A","","x-ray","0.71073","MoKα","","0.0324","0.0279","","","0.0633","0.0654","","","","","","1.036","","","","has coordinates","257727","2020-10-21","18:00:00",""
"7059858","17.7048","0.0006","17.7048","0.0006","31.8231","0.0011","90","","90","","120","","8638.8","0.5","100","2","99.99","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H8 F12 N2 -","- C19 H8 F12 N2 -","- C342 H144 F216 N36 -","18","1","","Lakhi, Jaspreet S.; Patterson, Monika R.; Dias, H. V. Rasika","Coinage metal metallacycles involving a fluorinated 3,5-diarylpyrazolate","New Journal of Chemistry","2020","44","35","14814","14822","10.1039/D0NJ03744C","","","0.71073","MoKα","","0.0342","0.0332","","","0.0889","0.09","","","","","","1.041","","","","has coordinates","258934","2020-11-06","12:50:36",""
"7060296","37.4938","0.0011","37.4938","0.0011","12.6456","0.0004","90","","90","","120","","15395.3","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H36 Co N5 O13 -","- C31 H36 Co N5 O13 -","- C558 H648 Co18 N90 O234 -","18","1","","Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.","Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","7","3699","3715","10.1039/D0NJ04338A","","","0.71073","MoKα","","0.1085","0.0643","","","0.1959","0.2187","","","","","","1.063","","","","has coordinates","262697","2021-03-05","02:21:20",""
"7060297","37.6663","0.0007","37.6663","0.0007","12.7165","0.0003","90","","90","","120","","15624.4","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H35 N5 O13 Zn -","- C31 H35 N5 O13 Zn -","- C558 H630 N90 O234.001 Zn18 -","18","1","","Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.","Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","7","3699","3715","10.1039/D0NJ04338A","","","0.71073","MoKα","","0.0994","0.0635","","","0.2068","0.2419","","","","","","0.898","","","","has coordinates","262697","2021-03-05","02:21:21",""
"7060624","10.7309","0.0007","10.7309","0.0007","29.207","0.002","90","","90","","120","","2912.7","0.3","107","2","107","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl)iron(II) perchlorate","hexakis(1-cyclopropyl)iron(II) perchlorate","","- C24 H36 Cl2 Fe N24 O8 -","- C24 H36 Cl2 Fe N24 O8 -","- C72 H108 Cl6 Fe3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0367","0.0298","","","0.068","0.0713","","","","","","1.055","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060625","10.888","0.0006","10.888","0.0006","29.5174","0.0017","90","","90","","120","","3030.4","0.3","106","2","106","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)manganese(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)manganese(II) diperchlorate","","- C24 H36 Cl2 Mn N24 O8 -","- C24 H36 Cl2 Mn N24 O8 -","- C72 H108 Cl6 Mn3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0352","0.0293","","","0.0734","0.0768","","","","","","1.082","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060627","10.7417","0.0015","10.7417","0.0015","29.826","0.005","90","","90","","120","","2980.4","0.8","115","2","115","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl)tetrazole copper(II) perchlorate","hexakis(1-cyclopropyl)tetrazole copper(II) perchlorate","","- C24 H36 Cl2 Cu N24 O8 -","- C24 H36 Cl2 Cu N24 O8 -","- C72 H108 Cl6 Cu3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.054","0.0405","","","0.0888","0.0953","","","","","","1.062","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060628","10.7815","0.0005","10.7815","0.0005","29.591","0.0018","90","","90","","120","","2978.9","0.3","107","2","107","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)zinc(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)zinc(II) diperchlorate","","- C24 H36 Cl2 N24 O8 Zn -","- C24 H36 Cl2 N24 O8 Zn -","- C72 H108 Cl6 N72 O24 Zn3 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0567","0.0383","","","0.0784","0.0852","","","","","","1.015","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060629","10.9182","0.001","10.9182","0.001","28.166","0.003","90","","90","","120","","2907.8","0.5","127","2","127","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate","","- C24 H36 Cl2 Cu N24 O6 -","- C24 H36 Cl2 Cu N24 O6 -","- C72 H108 Cl6 Cu3 N72 O18 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0381","0.0299","","","0.0759","0.0797","","","","","","1.056","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060640","10.8393","0.0001","10.8393","0.0001","30.1945","0.0006","90","","90","","120","","3072.28","0.07","297","2","297","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)iron(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)iron(II) diperchlorate","","- C24 H36 Cl2 Fe N24 O8 -","- C24 H36 Cl2 Fe N24 O8 -","- C72 H108 Cl6 Fe3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","","0.71073","MoKα","","0.0686","0.0662","","","0.1651","0.1712","","","","","","1.159","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060679","31.1547","0.0013","31.1547","0.0013","14.2193","0.0007","90","","90","","120","","11952.4","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25 H35 Cl2 N3 O Ru -","- C25 H35 Cl2 N3 O Ru -","- C450 H630 Cl36 N54 O18 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0878","0.0542","","","0.1138","0.1267","","","","","","1.04","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060681","30.0916","0.0015","30.0916","0.0015","13.669","0.0007","90","","90","","120","","10719.1","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H28 Cl2 N2 O2 Ru -","- C21 H28 Cl2 N2 O2 Ru -","- C378 H504 Cl36 N36 O36 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0769","0.0385","","","0.0667","0.0752","","","","","","0.926","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060683","30.6323","0.0009","30.6323","0.0009","14.2515","0.0004","90","","90","","120","","11581.1","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23 H32 Cl2 N2 O2 Ru -","- C23 H32 Cl2 N2 O2 Ru -","- C414 H576 Cl36 N36 O36 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0583","0.0376","","","0.0831","0.0895","","","","","","1.017","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7061254","25.887","0.008","25.887","0.008","15.915","0.006","90","","90","","120","","9236","5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H60 N6 O4 Ru -","- C38 H52 N6 Ru -","- C342 H468 N54 Ru9 -","9","0.5","","Wang, Yong","Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III]","New Journal of Chemistry","2022","46","8","3978","3984","10.1039/D1NJ05900A","","","0.71073","MoKα","","0.0389","0.0376","","","0.1016","0.1035","","","","","","1.066","","","","has coordinates,has disorder","273388","2022-03-04","22:19:09",""
"7061359","20.0268","0.0006","20.0268","0.0006","14.4186","0.0005","90","","90","","120","","5008.1","0.3","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H24 Br2 N4 -","- C24 H24 Br2 N4 -","- C216 H216 Br18 N36 -","9","0.5","","Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of bacteriochlorins bearing diverse β-substituents","New Journal of Chemistry","2022","46","12","5534","5555","10.1039/D1NJ05852E","","","0.7107","MoKα","","0.0515","0.0339","","","0.0753","0.0827","","","","","","1.045","","","","has coordinates","275048","2022-05-05","20:50:55",""
"7061547","28.3469","0.0003","28.3469","0.0003","34.2636","0.0004","90","","90","","120","","23843.8","0.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C168 H438 Cl Co19 N90 O180 -","- C168 H348 Cl1.0002 Co19 N89.9996 O180 -","- C504 H1044 Cl3.0006 Co57 N269.999 O540 -","3","0.166667","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0861","0.0591","","","0.1624","0.1838","","","","","","1.001","","","","has coordinates,has disorder","276663","2022-07-06","08:28:27",""
"7061575","36.301","0.004","36.301","0.004","29.712","0.003","90","","90","","120","","33908","6","193","","193","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C338 H427 F66 N91 O78 Si11 Zn12 -","- C324 H278 F66 N84 O14 Si11 Zn12 -","- C972 H833.999 F198 N252 O42 Si33 Zn36 -","3","0.166667","","Chen, Zi-Peng; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Lin, Kai; Zhao, Yue; Zhao, Jing","Cationic metal–organic frameworks constructed from a trigonal imidazole-containing ligand for the removal of Cr2O72− in water","New Journal of Chemistry","2022","46","27","12994","13000","10.1039/D2NJ01567F","","x-ray","0.71073","MoKα","","0.1012","0.0607","","","0.1638","0.1891","","","","","","1.03","","","","has coordinates,has disorder","277129","2022-08-06","11:57:18",""
"7061684","27.0452","0.0008","27.0452","0.0008","29.771","0.0007","90","","90","","120","","18858.4","0.9","299","2","299","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C93.61 H118.44 Dy6 N18 O48.61 -","- C93.61 H118.44 Dy6 N18 O48.61 -","- C561.66 H710.64 Dy36 N108 O291.66 -","6","0.333333","","Gebrezgiabher, Mamo; Schlittenhardt, Sören; Rajnák, Cyril; Kuchár, Juraj; Sergawie, Assefa; Černák, Juraj; Ruben, Mario; Thomas, Madhu; Boča, Roman","A dinuclear dysprosium Schiff base complex showing slow magnetic relaxation in the absence of an external magnetic field","New Journal of Chemistry","2022","46","35","16702","16707","10.1039/D2NJ02591D","","","0.71073","MoKα","","0.0372","0.0276","","","0.0618","0.0662","","","","","","1.025","","","","has coordinates,has disorder","278467","2022-10-07","01:15:13",""
"7061927","14.9","0.0006","14.9","0.0006","6.5867","0.0005","90","","90","","120","","1266.4","0.12","295","","295","","","","","","","","","6","R -3 :H","-R 3","148","","","","- B12 Ba0.58 Ca0.42 Li7 O24 Sc -","- B12 Ba0.584 Ca0.416 Li7.0002 O24 Sc -","- B36 Ba1.752 Ca1.248 Li21.0006 O72 Sc3 -","3","0.166667","","Chen, Jianbang; Zhang, Jie; Zhu, Aixin; Huang, Xuchu","Li7SrScB12O24 and Li7Ba0.6Ca0.4ScB12O24: two new quaternary rare-earth borates with short UV cutoff edges","New Journal of Chemistry","2022","46","41","19629","19632","10.1039/D2NJ04448J","","","0.71073","MoKα","","0.027","0.0253","","","0.0645","0.0655","","","","","","1.101","","","","has coordinates","278996","2022-11-07","05:35:17",""
"7061928","14.8742","0.0011","14.8742","0.0011","6.5524","0.0009","90","","90","","120","","1255.4","0.2","339","","339","","","","","","","","","5","R -3 :H","-R 3","148","","","","- B12 Li7 O24 Sc Sr -","- B12 Li7.0002 O24 Sc Sr -","- B36 Li21.0006 O72 Sc3 Sr3 -","3","0.166667","","Chen, Jianbang; Zhang, Jie; Zhu, Aixin; Huang, Xuchu","Li7SrScB12O24 and Li7Ba0.6Ca0.4ScB12O24: two new quaternary rare-earth borates with short UV cutoff edges","New Journal of Chemistry","2022","46","41","19629","19632","10.1039/D2NJ04448J","","","0.71073","MoKα","","0.048","0.0413","","","0.0883","0.0924","","","","","","1.121","","","","has coordinates","278996","2022-11-07","05:35:27",""
"7061967","19.4807","0.0004","19.4807","0.0004","9.7","0.0003","90","","90","","120","","3187.95","0.14","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","asa252","","","- C48 H54 O6 Pb2 -","- C48 H54 O6 Pb2 -","- C144 H162 O18 Pb6 -","3","0.166667","","Someşan, Adrian-Alexandru; Varga, Richard A.","Diaryllead(ii) species stabilized by C,O-chelating ligands","New Journal of Chemistry","2022","46","42","20074","20077","10.1039/D2NJ03796C","","","0.71073","MoKα","","0.0305","0.0248","","","0.0449","0.0461","","","","","","1.086","","","","has coordinates","279004","2022-11-07","05:37:39",""
"7062021","24.7609","0.0004","24.7609","0.0004","14.5331","0.0003","90","","90","","120","","7716.5","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Ba Mn O11 -","- C12 H13 Ba Mn O11 -","- C216 H234 Ba18 Mn18 O198 -","18","1","","Zorina-Tikhonova, Ekaterina N.; Matyukhina, Anna K.; Chistyakov, Aleksandr S.; Vologzhanina, Anna V.; Korlyukov, Alexander A.; Gogoleva, Natalia V.; Novikova, Veronika A.; Belova, Ekaterina V.; Ugolkova, Elena A.; Starikova, Alyona A.; Korchagin, Denis V.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structure, magnetic properties and thermal behaviour of Ba–MII (MII = Mn, Co, Cu, and Zn) allylmalonates","New Journal of Chemistry","2022","46","44","21245","21256","10.1039/D2NJ03751C","","","0.71073","MoKα","","0.0417","0.039","","","0.1054","0.1129","","","","","","1.238","","","","has coordinates,has disorder","280180","2023-01-06","09:50:23",""
"7062022","24.7462","0.0007","24.7462","0.0007","14.3059","0.0009","90","","90","","120","","7586.9","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Ba O11 Zn -","- C12 H18 Ba O11 Zn -","- C216 H324 Ba18 O198 Zn18 -","18","1","","Zorina-Tikhonova, Ekaterina N.; Matyukhina, Anna K.; Chistyakov, Aleksandr S.; Vologzhanina, Anna V.; Korlyukov, Alexander A.; Gogoleva, Natalia V.; Novikova, Veronika A.; Belova, Ekaterina V.; Ugolkova, Elena A.; Starikova, Alyona A.; Korchagin, Denis V.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structure, magnetic properties and thermal behaviour of Ba–MII (MII = Mn, Co, Cu, and Zn) allylmalonates","New Journal of Chemistry","2022","46","44","21245","21256","10.1039/D2NJ03751C","","","0.71073","MoKα","","0.0609","0.0434","","","0.0903","0.0955","","","","","","1.01","","","","has coordinates,has disorder","280180","2023-01-06","09:50:24",""
"7062023","24.7322","0.0011","24.7322","0.0011","14.3209","0.0007","90","","90","","120","","7586.2","0.6","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Ba Co O11 -","- C12 H18 Ba Co O11 -","- C216 H324 Ba18 Co18 O198 -","18","1","","Zorina-Tikhonova, Ekaterina N.; Matyukhina, Anna K.; Chistyakov, Aleksandr S.; Vologzhanina, Anna V.; Korlyukov, Alexander A.; Gogoleva, Natalia V.; Novikova, Veronika A.; Belova, Ekaterina V.; Ugolkova, Elena A.; Starikova, Alyona A.; Korchagin, Denis V.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structure, magnetic properties and thermal behaviour of Ba–MII (MII = Mn, Co, Cu, and Zn) allylmalonates","New Journal of Chemistry","2022","46","44","21245","21256","10.1039/D2NJ03751C","","","0.71073","MoKα","","0.045","0.0369","","","0.0694","0.0719","","","","","","1.117","","","","has coordinates,has disorder","280180","2023-01-06","09:50:24",""
"7062226","27.1958","0.0006","27.1958","0.0006","7.8944","0.0002","90","","90","","120","","5056.5","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H11 I N2 O -","- C11 H11 I N2 O -","- C198 H198 I18 N36 O18 -","18","1","","Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.","Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes","New Journal of Chemistry","2023","47","6","2978","2982","10.1039/D2NJ05349G","","x-ray","1.54184","CuKα","","0.0172","0.0164","","","0.0404","0.0408","","","","","","1.051","","","","has coordinates","281526","2023-03-04","18:34:09",""
"7062391","16.613","0.003","16.613","","14.28","0.002","90","","90","","120","","3413.1","0.8","296.15","","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","tris(N,N'-Diphenylquanidinum) hexabromoindium(iii)","","- C39 H42 Br6 In N9 -","- C39 H42 Br6 In N9 -","- C117 H126 Br18 In3 N27 -","3","0.166667","","Jin, Shuya; Wei, Qilin; Peng, Hui; Ke, Bao; Lin, Wenchao; He, Bin; Zhong, Xianci; Zou, Bingsuo","Boosting the broadband orange emission in organic–inorganic hybrid (DPG)3InBr6via antimony doping","New Journal of Chemistry","2023","47","17","8249","8257","10.1039/D3NJ01019H","","x-ray","0.71073","MoKα","","0.0468","0.0288","","","0.0667","0.075","","","","","","1.013","","","","has coordinates,has disorder","283385","2023-05-05","02:54:13",""
"7062935","38.549","0.004","38.549","0.004","14.249","0.0014","90","","90","","120","","18338","3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C105 H127.5 Cl3 Co3 N13.5 O28.5 -","- C105 H127.5 Cl3 Co3 N13.5 O28.5 -","- C630 H765 Cl18 Co18 N81 O171 -","6","0.333333","","Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan","Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study","New Journal of Chemistry","2024","48","6","2389","2402","10.1039/D3NJ04609E","","","0.71073","MoKα","","0.0665","0.0554","","","0.1725","0.1863","","","","","","1.043","","","","has coordinates,has disorder","290234","2024-03-04","20:35:55",""
"7063107","19.2175","0.0017","19.2175","0.0017","29.278","0.003","90","","90","","120","","9364.1","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C120 H160 Hf O26 P6 -","- C120 H160 Hf O26 P6 -","- C360 H479.999 Hf3 O78 P18 -","3","0.166667","","Luo, Yanping; Xu, Chengjin; Su, Jianhui; Peng, Xiujing; Kong, Xiangfeng; Wang, Shuo; Sun, Jiahui; Cui, Yu; Nie, Yong; Jiang, Xuchuan; Sun, Guoxin","Novel phosphate ester extractant for preferential extraction of hafnium over zirconium and its mechanism","New Journal of Chemistry","2024","48","17","7718","7725","10.1039/D4NJ00830H","","","0.71073","MoKα","","0.0616","0.0378","","","0.0851","0.1011","","","","","","1.123","","","","has coordinates,has disorder","291666","2024-05-05","03:45:31",""
"7100008","20.858","0.0012","20.858","0.0012","10.0116","0.0012","90","","90","","120","","3772.1","0.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C198 H198 O18 -","9","0.5","","Aitipamula Srinivasulu; Ashwini Nangia","Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph","Chemical Communications","2005","","","","","10.1039/b500665a","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100078","15.7365","0.0007","15.7365","0.0007","24.686","0.002","90","","90","","120","","5294.1","0.6","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","(O(H)CO)Ti(N(t-Bu)Ar)3","","","- C37 H54 N3 O2 Ti -","- C37 H54 N3 O1.99 Ti -","- C222 H324 N18 O11.94 Ti6 -","6","0.333333","","C. Cummins; Joshua S. Figueroa; Arjun Mendiratta","Synthesis of a four-coordinate titanium(IV) oxoanion via deprotonation and decarbonylation of complexed formate","Chemical Communications","2005","","","","","10.1039/b504492h","","","","","","","","","","","","","","","","","","","","","has coordinates","180102","2020-10-21","18:00:00",""
"7100220","32.9114","0.0013","32.9114","0.0013","9.4246","0.0005","90","","90","","120","","8840.7","0.7","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42.34 H27.36 N6 O0.34 Zn -","- C42.34 H26 N6 O0.34 Zn -","- C381.06 H234 N54 O3.06 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100221","33.0866","0.0004","33.0866","0.0004","9.436","0.0002","90","","90","","120","","8945.9","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42.68 H28.04 N6 O0.34 Zn -","- C42.68 H26 N6 O0.34 Zn -","- C384.12 H234 N54 O3.06 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100222","33.0734","0.0005","33.0734","0.0005","9.2921","0.0004","90","","90","","120","","8802.4","0.4","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H26 N6 Zn -","- C42 H26 N6 Zn -","- C378 H234 N54 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100223","33.0583","0.0007","33.0583","0.0007","9.3302","0.0005","90","","90","","120","","8830.4","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H30 N6 Zn -","- C44 H26 N6 Zn -","- C396 H234 N54 Zn9 -","9","0.5","","Emmanuel Deiters; Veronique Bulach; Mir Wais Hosseini","Reversible single-crystal-to-single-crystal guest exchange in a 2-D coordination network based on a zinc porphyrin","Chemical Communications","2005","","","","","10.1039/b508135c","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100249","15.6488","0.0008","15.6488","0.0006","33.8402","0.0007","90","","90","","120","","7176.7","0.5","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37 H36 Cl9 O15 -","- C37 H36 Cl9 O15 -","- C222 H216 Cl54 O90 -","6","0.333333","","J. Veciana; Neus Domingo; Daniel Maspoch; Nans Roques; Concepcio Rovira; Daniel Ruiz-Molina; Javier Tejada; Klaus Wurst","Hydrogen-bonded self-assemblies in a polychlorotriphenylmethyl radical derivative substituted with six meta-carboxylic acid groups","Chemical Communications","2005","","","","","10.1039/b508952b","","","","","","","","","","","","","","","","","","","","","has coordinates","180104","2020-10-21","18:00:00",""
"7100250","24.9133","0.0006","24.9133","0.0008","15.0874","0.0008","90","","90","","120","","8109.7","0.5","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C49 H54 Cl9 O18 -","- C49 H6 Cl9 O18 -","- C294 H36 Cl54 O108 -","6","0.333333","","J. Veciana; Neus Domingo; Daniel Maspoch; Nans Roques; Concepcio Rovira; Daniel Ruiz-Molina; Javier Tejada; Klaus Wurst","Hydrogen-bonded self-assemblies in a polychlorotriphenylmethyl radical derivative substituted with six meta-carboxylic acid groups","Chemical Communications","2005","","","","","10.1039/b508952b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100339","9.156","0.002","9.156","0.002","44.51","0.03","90","","90","","120","","3231","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H40 Cl2 Cu3 N12 O15 -","- C34 H36 Cl2 Cu3 N12 O14 -","- C102 H108 Cl6 Cu9 N36 O42 -","3","0.166667","","Majumder, A.; Choudhury, C. R.; Mitra, S.; Rosair, G.; El Fallah, M. S.; Ribas, J.","","Chemical Communications","2005","","","2158","2160","10.1039/b417019a","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7100404","19.7782","0.0016","19.7782","0.0016","32.244","0.004","90","","90","","120","","10923.2","1.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C51 H66 Ag4 Cl O6 P6 S6 -","- C51 H66 Ag4 Cl O6 P6 S6 -","- C306 H396 Ag24 Cl6 O36 P36 S36 -","6","0.333333","","Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang","A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)","Chemical Communications","2005","","","","","10.1039/b419474h","","","","","","","","","","","","","","","","","","","","","has coordinates","180106","2020-10-21","18:00:00",""
"7100405","19.8652","0.0017","19.8652","0.0017","33.169","0.004","90","","90","","120","","11336","2","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C57 H78 Ag4 Cl O6 P6 S6 -","- C57 H57 Ag4 Cl O6 P6 S6 -","- C342 H342 Ag24 Cl6 O36 P36 S36 -","6","0.333333","","Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang","A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)","Chemical Communications","2005","","","","","10.1039/b419474h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180106","2020-10-21","18:00:00",""
"7100507","32.404","0.002","32.404","0.002","8.9496","0.0004","90","","90","","120","","8138.3","0.8","100","1","100","1","","","","","","","","2","R -3 :H","-R 3","148","","","","- C27 H20 -","- C27 H20 -","- C486 H360 -","18","1","","Ben Feringa; Auke Meetsma; Javier Vicario","Controlling the speed of rotation in molecular motors. Dramatic acceleration of the rotary motion by structural modification","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100643","14.0289","0.0007","14.0289","0.0007","30.796","0.003","90","","90","","120","","5249","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H27 Co O6 S3 -","- C45 H27 Co O6 S3 -","- C270 H162 Co6 O36 S18 -","6","0.333333","","B.L. Tran; Seth M. Cohen","","Chemical Communications","2006","","","","","10.1039/b512185j","","","","","","","","","","","","","","","","","","","","","has coordinates","180108","2020-10-21","18:00:00",""
"7100714","38.4631","0.0017","38.4631","0.0017","14.9277","0.0013","90","","90","","120","","19125","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H36 B F4 O8 P2 Rh -","- C42 H36 B F4 O8 P2 Rh -","- C756 H648 B18 F72 O144 P36 Rh18 -","18","1","","Seung Uk Son.; J. A. Reingold; G. B. Carpenter; D. A. Sweigart","Organometallic crystal engineering of [(1,4- and 1,3-hydroquinone)Rh(P(OPh)3)2]BF4 by charge assisted hydrogen bonding","Chemical Communications","2006","","","","","10.1039/b514543k","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100715","38.721","0.004","38.721","0.004","14.661","0.002","90","","90","","120","","19037","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H36 B F4 O8 P2 Rh -","- C42 H36 B F4 O8 P2 Rh -","- C756 H648 B18 F72 O144 P36 Rh18 -","18","1","","Seung Uk Son.; J. A. Reingold; G. B. Carpenter; D. A. Sweigart","Organometallic crystal engineering of [(1,4- and 1,3-hydroquinone)Rh(P(OPh)3)2]BF4 by charge assisted hydrogen bonding","Chemical Communications","2006","","","","","10.1039/b514543k","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100726","25.7856","0.0012","25.7856","0.0012","6.7701","0.001","90","","90","","120","","3898.34","","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Ni O3 -","- C4 H Ni O3 -","- C72 H18 Ni18 O54 -","18","1","","Pascal Dietzel; Richard Blom; Hellmer Fjellvag; M. Hirscher; B. Panella","Hydrogen adsorption in a nickel based coordination polymer with open metal sites in the cylindrical cavities of the desolvated frame","Chemical Communications","2006","","","","","10.1039/b515434k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100727","25.9783","0.0007","25.9783","0.0007","6.6883","0.0002","90","","90","","120","","3909.01","","295","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H11 Ni O8 -","- C4 H Ni O9.25 -","- C72 H18 Ni18 O166.5 -","18","1","","","","Chemical Communications","2006","","","","","10.1039/b515434k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100956","17.136","0.0003","17.136","0.0003","47.4916","0.0014","90","","90","","120","","12077.2","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cl18 Cs11 H11 O17 Re18 Se12 -","- Cl18 Cs11 O17 Re18 Se12 -","- Cl108 Cs66 O102 Re108 Se72 -","6","0.333333","","Vladimir Fedorov; Svetlana Kozlova; Yu. V. Mironov; N. K. Moroz; D. Y. Naumov; A. Simon; S.F. Solodovnikov; S. S. Yarovoi","Unexpected ligand substitutions in the cluster core {Re6Se8}: synthesis and structure of the novel cluster compound Cs11(H3O)[Re6Se4O4Cl6]3.4H2O","Chemical Communications","2005","","","","","10.1039/b412850h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101099","34.976","0.003","34.976","0.003","18.246","0.003","90","","90","","120","","19330","4","188","2","188","2","","","","","","","","3","R -3 :H","-R 3","148","C-methyl-calix(4)resorcinare, water, 2-ethylhexanol complex","","","- C264 H358 O59 -","- C240 H294 O56 -","- C720 H882 O168 -","3","0.166667","","K.T. Holman; Onome Ugono","An achiral form of the hexameric resorcin[4]arene capsule sustained by hydrogen bonding with alcohols","Chemical Communications","2006","","","","","10.1039/b604148e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180112","2020-10-21","18:00:00",""
"7101125","10.2291","0.0005","10.2291","0.0005","33.6643","0.0018","90","","90","","120","","3050.5","0.3","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H30 Al2 Fe N6 -","- C32 H30 Al2 Fe N6 -","- C96 H90 Al6 Fe3 N18 -","3","0.166667","","Dominic S. Wright; Carmen Soria Alvarez; Felipe Garcia; Alexander Hopkins; Simon M. Humphrey; Richard A. Kowenicki; Richard A. Layfield; M. McPartlin; Robert Raja; Michael C. Rogers; Anthony Woods","A Simple Route to Heterometallic Transition Metal/Aluminium(III) Complexes via Transfer of the [MeAl(2-py)3]- anion (2-py== 2-pyridyl)","Chemical Communications","2005","","2","","","10.1039/b413488e","","","0.71073","MoKα","","0.0451","0.0419","","","0.1109","0.1127","","","","","","1.077","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101230","50.422","0.002","50.422","0.002","10.6912","0.0008","90","","90","","120","","23540","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38.6 H55.9 Mn4 N11.1 Na O16.1 -","- C38.6 H46 Mn4 N11.1 Na O16.1 -","- C694.8 H828 Mn72 N199.8 Na18 O289.8 -","18","1","","Ian J. Hewitt; Jin-Kui Tang; N. T. Madhu; Rodolphe Clérac; Gernot Buth; Christopher E. Anson; Annie K. Powell","A series of new structural models for the OEC in photosystem II","Chemical Communications","2006","","25","","","10.1039/b518026k","","","0.71073","MoKα","","0.134","0.0505","","","0.0841","0.0923","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101297","54.607","0.0017","54.607","0.0017","60.034","0.003","90","","90","","120","","155033","10","188","2","188","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H484 Fe30 Mo78 Na4 O523 -","- C22.5 Fe30 Mo78.102 O472.935 -","- C270 Fe360 Mo937.224 O5675.21 -","12","0.666667","","Müller, Achim; Todea, Ana Maria; Bögge, Hartmut; van Slageren, Joris; Dressel, Martin; Stammler, Anja; Rusu, Mariana","Formation of a ""less stable"" polyanion directed and protected by electrophilic internal surface functionalities of a capsule in growth: [{Mo6O19}2– {MoVI72FeIII30O252(ac)20(H2O)92}]4–","Chemical Communications (Cambridge, United Kingdom)","2006","","29","3066","3068","10.1039/b604977j","","","0.71073","MoKα","","0.1851","0.0975","","","0.2387","0.3491","","","","","","1.174","","","","has coordinates","287998","2023-12-04","15:40:33",""
"7101304","17.7971","0.0014","17.7971","0.0014","22.961","0.004","90","","90","","120","","6298.2","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H81 Cd12 O76.5 -","- C48 H60 Cd12 O76.52 -","- C144 H180 Cd36 O229.56 -","3","0.166667","","Jing Wang; Yue-Hua Zhang; Ming-Liang Tong","Two new 3D metal-organic frameworks of nanoscale cages constructed by Cd(II) and conformation-flexible cyclohexanehexacarboxylate","Chemical Communications","2006","","30","","","10.1039/b604584g","","","0.71073","MoKα","","0.0615","0.0469","","","0.0984","0.1049","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101325","27.9486","0.0004","27.9486","","6.23018","0.00014","90","","90","","120","","4214.6","0.1","","","293","","","","","","","","","5","R -3 :H","-R 3","148","JAGNipip","","","- C3 N Ni O6.7 P -","- C3 N Ni O6.7 P -","- C54 N18 Ni18 O120.6 P18 -","18","1","","Groves, John A.; Miller, Stuart R.; Warrender, Stewart J.; Mellot-Draznieks, Caroline; Lightfoot, Philip; Wright, Paul A.","The first route to large pore metal phosphonates","Chemical Communications (Cambridge, United Kingdom)","2006","","31","3305","3307","10.1039/b605400e","powder diffraction","x-ray","1.54056","CuKalpha","","","","","","","","0.11501","","2.6","","","","","","","has coordinates","288000","2023-12-04","15:48:37",""
"7101342","32.6616","0.0008","32.6616","0.0008","73.307","0.003","90","","90","","120","","67725","3","183","2","183","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H984 Mo132 N52 O852 -","- C48 Mo132 O790 -","- C144 Mo396 O2370 -","3","0.166667","","A.Muller; L.Toma; H.Bogge; M.Henry; E.T.K.Haupt; A.Mix; F.L. Sousa","Different types of reactions inside a porous nanocapsule/artificial cell: structuring encapsulates being directed by internal surface deprotonations","Chemical Communications","2006","","32","","","10.1039/b604557j","","","0.71073","MoKα","","0.0641","0.0475","","","0.129","0.1537","","","","","","1.17","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101343","32.6802","0.0008","32.6802","0.0008","73.44","0.002","90","","90","","120","","67926","3","188","2","188","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H946 Mo132 N42 O872 -","- C60 Mo132 O773.5 -","- C180 Mo396 O2320.5 -","3","0.166667","","A.Muller; L.Toma; H.Bogge; M.Henry; E.T.K.Haupt; A.Mix; F.L. Sousa","Different types of reactions inside a porous nanocapsule/artificial cell: structuring encapsulates being directed by internal surface deprotonations","Chemical Communications","2006","","32","","","10.1039/b604557j","","","0.71073","MoKα","","0.0614","0.0453","","","0.1302","0.1502","","","","","","1.075","","","","has coordinates,has disorder","180115","2020-10-21","18:00:00",""
"7101386","36.984","0.003","36.984","0.003","25.824","0.004","90","","90","","120","","30590","6","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62.7 H88.05 Br4 N1.35 O12 -","- C60.88 H73.75 Br3.65 N1.38 O12 -","- C1095.84 H1327.5 Br65.7 N24.84 O216 -","18","1","","Scott J. Dalgarno; Nicholas P. Power; Jcohen Antesberger; Robert M. McKinlay; Jerry L. Atwood","Synthesis and structural characterisation of lower rim halogenated pyrogallol[4]arenes: bi-layers and hexameric nano-capsules","Chemical Communications","2006","","36","","","10.1039/b605147b","","","0.71073","MoKα","","0.2856","0.1743","","","0.4286","0.4637","","","","","","2.606","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101388","35.456","0.005","35.456","0.005","23.121","0.003","90","","90","","120","","25172","6","113.1","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C49.5 H59 Cl5 Co N2 O2 Si Zr -","- C49.5 H59 Cl5 Co N2 O2 Si Zr -","- C891 H1062 Cl90 Co18 N36 O36 Si18 Zr18 -","18","1","","Kohtaro Osakada; Junpei Kuwabara; Daisuke Takeuchi","Early-Late Heterobimetallic Complexes as Catalyst for Ethylene Polymerization. Cooperative Effect of Two Metal Centers to Afford Highly Branched Polyethylene","Chemical Communications","2006","","36","","","10.1039/b605800k","","","0.7107","MoKα","","","0.1168","","","","0.3644","","","","","","1.419","","","","has coordinates","203912","2020-10-21","18:00:00",""
"7101427","14.8227","0.0013","14.8227","0.0013","37.136","0.005","90","","90","","120","","7066.1","1.2","243","2","243","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C39 H52 B Hg I N6 O3 Se3 -","- C39 H52 B Hg I N6 O3 Se3 -","- C234 H312 B6 Hg6 I6 N36 O18 Se18 -","6","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0734","0.0512","","","0.1315","0.1424","","","","","","1.003","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101434","14.7744","0.0008","14.7744","0.0008","38.319","0.002","90","","90","","120","","7243.7","0.7","243","2","243","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H49 B Co I N9 Se3 -","- C42 H49 B Co I N9 Se3 -","- C252 H294 B6 Co6 I6 N54 Se18 -","6","0.333333","","G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang","Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand","Chemical Communications","2006","","38","","","10.1039/b608078b","","","0.71073","MoKα","","0.0392","0.0307","","","0.0793","0.083","","","","","","1.016","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101575","20.1077","0.0011","20.1077","0.0011","20.234","0.002","90","","90","","120","","7085.1","0.9","294","2","294","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C54 H71 B2 Cd3 F14 N42 O15.5 Si -","- C54 H42 B1.98 Cd3 F13.92 N42 O15.48 Si -","- C162 H126 B5.94 Cd9 F41.76 N126 O46.44 Si3 -","3","0.166667","","Huang, Yong-Quan; Ding, Bin; Song, Hai-Bin; Zhao, Bin; Ren, Peng; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping","A novel 3D porous metal–organic framework based on trinuclear cadmium clusters as a promising luminescent material exhibiting tunable emissions between UV and visible wavelengths","Chemical Communications (Cambridge, United Kingdom)","2006","","47","4906","4908","10.1039/b610185b","","","0.71073","MoKα","","0.0495","0.0413","","","0.1269","0.1357","","","","","","1.009","","","","has coordinates,has disorder","288003","2023-12-04","16:00:42",""
"7101889","34.229","0.002","34.229","0.002","6.4878","0.0006","90","","90","","120","","6583.1","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H17 Br O3 -","- C15 H17 Br O3 -","- C270 H306 Br18 O54 -","18","1","","Xu, Zheng-Hu; Zhu, Sha-Na; Sun, Xiu-Li; Tang, Yong; Dai, Li-Xin","Sidearm effects in the enantioselective cyclopropanation of alkenes with aryldiazoacetates catalyzed by trisoxazoline/Cu(I)","Chemical Communications (Cambridge, United Kingdom)","2007","","19","1960","1962","10.1039/b617967c","","","0.71073","MoKα","","0.0978","0.0782","","","0.1774","0.1826","","","","","","1.134","","","","has coordinates,has disorder","210458","2020-10-21","18:00:00",""
"7102009","27.653","0.008","27.653","0.008","8.536","0.003","90","","90","","120","","5653","3","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C270 H270 N54 -","18","1","","Maeda, Hiromitsu; Hasegawa, Masahiro; Ueda, Atsushi","Hydrogen bonding self-assemblies with 1-D linear, dimeric and hexagonal nanostructures of meso-pyridyl-substituted dipyrromethanes.","Chemical communications (Cambridge, England)","2007","","26","2726","2728","10.1039/b703236f","","","0.71075","MoKα","","0.1214","0.0597","","","0.12","0.144","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102126","18.604","0.003","18.604","0.003","19.756","0.004","90","","90","","120","","5921.7","1.7","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H48 Cu3 N12 O23 -","- C72 H48 Cu3 N12 O23 -","- C216 H144 Cu9 N36 O69 -","3","0.166667","","Luo, Feng; Zheng, Ji-min; Batten, Stuart R","Unprecedented (3,4)-connected metal-organic frameworks (MOFs) with 3-fold interpenetration and considerable solvent-accessible void space.","Chemical communications (Cambridge, England)","2007","","36","3744","3746","10.1039/b706177c","","x-ray","0.71073","MoKα","","0.0737","0.054","","","0.1616","0.1745","","","","","","1.059","","","","has coordinates,has disorder","180123","2020-10-21","18:00:00",""
"7102127","18.5943","0.0016","18.5943","0.0016","19.761","0.003","90","","90","","120","","5916.9","1.2","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H16 Cu N4 O6 -","- C24 H16 Cu N4 O6 -","- C216 H144 Cu9 N36 O54 -","9","0.5","","Luo, Feng; Zheng, Ji-min; Batten, Stuart R","Unprecedented (3,4)-connected metal-organic frameworks (MOFs) with 3-fold interpenetration and considerable solvent-accessible void space.","Chemical communications (Cambridge, England)","2007","","36","3744","3746","10.1039/b706177c","","x-ray","0.71073","MoKα","","0.1136","0.0617","","","0.1714","0.2007","","","","","","1.097","","","","has coordinates","180123","2020-10-21","18:00:00",""
"7102180","20.72","0.003","20.72","0.003","9.729","0.002","90","","90","","120","","3617.3","0.2","20","2","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- C72 F36 -","- C72 F36 -","- C216 F108 -","3","0.166667","","Checińska, Lilianna; Troyanov, Sergey I; Mebs, Stefan; Hübschle, Christian B; Luger, Peter","Examination of intermolecular electronic interactions in the crystal structure of C60(CF3)12 by experimental electron density determination.","Chemical communications (Cambridge, England)","2007","","39","4003","4005","10.1039/b712694h","","","0.71068","MoKα","","0.0305","0.0237","","","","0.0221","","","","","","2.0539","","","","has coordinates","192337","2020-10-21","18:00:00",""
"7102222","34.375","0.002","34.375","0.002","7.2354","0.0006","90","","90","","120","","7404","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H22 Cl2 O6 -","- C15 H22 Cl2 O6 -","- C270 H396 Cl36 O108 -","18","1","","Khan, Faiz Ahmed; Sudheer, Ch.; Soma, Laxminarayana","Lead(IV) acetate: intriguing reactivity profile","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4239","4241","10.1039/b708268a","","","0.71073","MoKα","","0.0664","0.0475","","","0.1242","0.1817","","","","","","1.124","","","","has coordinates","209674","2020-10-21","18:00:00",""
"7102245","31.536","0.005","31.536","0.005","22.246","0.004","90","","90","","120","","19160","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C39 H65.67 Al N2 O4 S Si -","- C38.9998 H65.6662 Al N2 O4 S Si -","- C701.996 H1181.99 Al18 N36 O72 S18 Si18 -","18","1","","Jancik, Vojtech; Rascón-Cruz, Fernando; Cea-Olivares, Raymundo; Toscano, Rubén A","Soluble, reactive and stable - unique aluminosilicate ligands and a heterobimetallic derivative [LAl(SLi)(micro-O)Si(OLi.2thf)(OtBu)2]2.","Chemical communications (Cambridge, England)","2007","","43","4528","4530","10.1039/b707895a","","","0.71073","MoKα","","0.0853","0.0575","","","0.1251","0.1388","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7102291","14.48037","0.00028","14.48037","","9.24483","0.0003","90","","90","","120","","1678.76","0.08","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","Dilithium borohydride amide","","- B H6 Li2 N -","- B H6 Li2 N -","- B18 H108 Li36 N18 -","18","1","","Chater, Philip A; David, William I F; Anderson, Paul A","Synthesis and structure of the new complex hydride Li2BH4NH2.","Chemical communications (Cambridge, England)","2007","","45","4770","4772","10.1039/b711111h","powder diffraction","","0.80162","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102446","24.2612","0.0011","24.2612","0.0011","9.3049","0.0008","90","","90","","120","","4743.1","0.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","BHA","3-tert-Butyl-4-hydroxyanisole","","- C11 H16 O2 -","- C11 H16 O2 -","- C198 H288 O36 -","18","1","","McMahon, Jennifer A; Zaworotko, Michael J; Remenar, Julius F","Polymorphism in butylated hydroxy anisole (BHA).","Chemical communications (Cambridge, England)","2004","","3","278","279","10.1039/b311606a","","","0.71073","MoKα","","0.0552","0.0435","","","0.1185","0.1269","","","","","","0.885","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102488","27.7755","0.0007","27.7755","0.0007","35.2084","0.0013","90","","90","","120","","23523.4","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","(Hydroxy)(nitrilotris(4,6-di-tert -butyl-o- phenolate))titanium(IV).1.33 tetrahydrofuran . 0.5 benzene","","","- C53.33 H80.67 N O5.33 Ti -","- C53.34 H80.68 N O5.33 Ti -","- C960.12 H1452.24 N18 O95.94 Ti18 -","18","1","","Ugrinova, Vesela; Ellis, Gregory A; Brown, Seth N","Remarkable thermodynamic stability toward hydrolysis of tripodal titanium alkoxides.","Chemical communications (Cambridge, England)","2004","","4","468","469","10.1039/b315092e","","","0.71073","MoKα","","0.0965","0.076","","0.2351","0.2117","","","","1.052","1.092","1.092","","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102610","18.149","0.005","18.149","0.005","25.435","0.005","90","","90","","120","","7256","3","293","2","293","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","(Et4N)6(Nb6F6Br6(NCS)6).2Br","","","- C54 H120 Br8 F6 N12 Nb6 S6 -","- C54 H120 Br7.98 F6 N12 Nb6 S6 -","- C162 H360 Br23.94 F18 N36 Nb18 S18 -","3","0.166667","","Naumov, Nikolai G; Cordier, Stephane; Perrin, Christiane","Soluble mu-Fi bridged niobium clusters: synthesis and crystal structures of (Et4N)6[Nb6Fi6Bri6(NCS)a6]Br2 and Cs1.6K2.4[Nb6Fi6Ii6(NCS)a6].","Chemical communications (Cambridge, England)","2004","","9","1126","1127","10.1039/b400668b","","x-ray","0.71069","MoKα","","0.0844","0.048","","","0.1139","0.1301","","","","","","1.041","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102755","38.1017","0.0005","38.1017","0.0005","8.1896","0.0001","90","","90","","120","","10296.3","0.2","200","","200","","","","","","","","?","7","R -3 :H","-R 3","148","","","","- C17 H19 B N6 O2 Si W -","- C17 H19 B N6 O2 Si W -","- C306 H342 B18 N108 O36 Si18 W18 -","18","1","","Dewhurst, Rian D; Hill, Anthony F; Willis, Anthony C","A mercury bis(tricarbido) complex: [Hg{C triple bond C-C triple bond W(CO)2Tp}2(dmso)4](dmso)2 (Tp = hydrotrispyrazolylborate).","Chemical communications (Cambridge, England)","2004","","24","2826","2827","10.1039/b412972e","","","0.71073","MoKα","","0.0347","0.0269","","0.0332","0.0282","0.0282","","","","","","1.1247","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102865","29.42","0.0008","29.42","0.0008","12.6652","0.0006","90","","90","","120","","9493.5","0.6","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H110 Co N18 O41 W12 -","- C114 H108 Co N18 O41 W12 -","- C342 H324 Co3 N54 O123 W36 -","3","0.166667","","Xie, Jingli; Abrahams, Brendan F; Wedd, Anthony G","Facile assembly of hybrid materials containing polyoxometalate cluster anions and organic dye cations: crystal structures and initial spectral characterization.","Chemical communications (Cambridge, England)","2008","","5","576","578","10.1039/b715288d","","","0.71073","MoKα","","0.0486","0.0474","","","0.1044","0.1048","","","","","","1.515","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7102866","29.4039","0.0016","29.4039","0.0016","12.6458","0.0013","90","","90","","120","","9468.6","1.2","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H110 N18 O41 W12 Zn -","- C114 H108 N18 O41 W12 Zn -","- C342 H324 N54 O123 W36 Zn3 -","3","0.166667","","Xie, Jingli; Abrahams, Brendan F; Wedd, Anthony G","Facile assembly of hybrid materials containing polyoxometalate cluster anions and organic dye cations: crystal structures and initial spectral characterization.","Chemical communications (Cambridge, England)","2008","","5","576","578","10.1039/b715288d","","","0.71073","MoKα","","0.0797","0.0794","","","0.177","0.1771","","","","","","1.527","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7102971","44.783","0.006","44.783","0.006","22.093","0.006","90","","90","","120","","38373","12","103","2","85","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C444 H507 N7 O191 Zn16 -","- C443.7 H307.98 O127.5 Zn16 -","- C1331.1 H923.94 O382.5 Zn48 -","3","0.166667","","Ugono, Onome; Moran, Jason P; Holman, K Travis","Closed-surface hexameric metal-organic nanocapsules derived from cavitand ligands.","Chemical communications (Cambridge, England)","2008","","12","1404","1406","10.1039/b715273f","","","0.71073","MoKα","","0.1467","0.0913","","","0.2431","0.2726","","","","","","0.914","","","","has coordinates,has disorder","180131","2020-10-21","18:00:00",""
"7103222","13.5112","0.0004","13.5112","0.0004","28.6753","0.0018","90","","90","","120","","4533.4","0.3","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H37 B In N6 S3 -","- C24 H37 B In N6 S3 -","- C144 H222 B6 In6 N36 S18 -","6","0.333333","","Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G; Parkin, Gerard","Monovalent indium in a sulfur-rich coordination environment: synthesis, structure and reactivity of tris(2-mercapto-1-tert-butylimidazolyl)hydroborato indium, [TmBut]In.","Chemical communications (Cambridge, England)","2008","","28","3305","3307","10.1039/b803037e","","","0.71073","MoKα","","0.0375","0.0313","","","0.1209","0.133","","","","","","1.029","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103357","41.28","0.02","41.28","0.02","9.864","0.004","90","","90","","120","","14556.3","11.5","223.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H15 Cu N O5 -","- C16 H13 Cu N O5 -","- C288 H234 Cu18 N18 O90 -","18","1","","Horike, Satoshi; Hasegawa, Shinpei; Tanaka, Daisuke; Higuchi, Masakazu; Kitagawa, Susumu","Kagomé type extra-large microporous solid based on a paddle-wheel Cu2+ dimer.","Chemical communications (Cambridge, England)","2008","","37","4436","4438","10.1039/b806616g","","","0.7107","MoKα","","","0.083","","","","0.148","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103447","25.7836","0.0011","25.7836","0.0011","6.7474","0.0003","90","","90","","120","","3884.7","0.5","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","2,5-Dioxido-1,4-benzenedicarboxylatodinickel(ii) carbon dioxide adduct","2,5-Dioxido-1,4-benzenedicarboxylatodinickel(II) carbon dioxide adduct","","- C4.668 H Ni O4.336 -","- C4.668 H Ni O4.336 -","- C84.024 H18 Ni18 O78.048 -","18","1","","Dietzel, Pascal D C; Johnsen, Rune E; Fjellvåg, Helmer; Bordiga, Silvia; Groppo, Elena; Chavan, Sachin; Blom, Richard","Adsorption properties and structure of CO2 adsorbed on open coordination sites of metal-organic framework Ni2(dhtp) from gas adsorption, IR spectroscopy and X-ray diffraction.","Chemical communications (Cambridge, England)","2008","","41","5125","5127","10.1039/b810574j","powder diffraction","","0.520054","synchrotron","","","","","","","","","0.0156","3.09","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103451","32.9851","0.0007","32.9851","0.0007","9.0387","0.0004","90","","90","","120","","8516.7","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H24 N8 Zn -","- C44 H24 N8 Zn -","- C396 H216 N72 Zn9 -","9","0.5","","Kühn, Elisabeth; Bulach, Véronique; Hosseini, Mir Wais","Molecular tectonics: control of pore size and polarity in 3-D hexagonal coordination networks based on porphyrins and a zinc cation.","Chemical communications (Cambridge, England)","2008","","41","5104","5106","10.1039/b812831f","","","0.71073","MoKα","","0.1079","0.0609","","","0.145","0.1722","","","","","","1.074","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103452","32.9346","0.0007","32.9346","0.0007","9.1639","0.0004","90","","90","","120","","8608.3","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H28 N8 O2 Zn -","- C44 H24 N8 O2 Zn -","- C396 H216 N72 O18 Zn9 -","9","0.5","","Kühn, Elisabeth; Bulach, Véronique; Hosseini, Mir Wais","Molecular tectonics: control of pore size and polarity in 3-D hexagonal coordination networks based on porphyrins and a zinc cation.","Chemical communications (Cambridge, England)","2008","","41","5104","5106","10.1039/b812831f","","","0.71073","MoKα","","0.0829","0.0623","","","0.1624","0.1781","","","","","","1.052","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103453","32.845","0.0003","32.845","0.0003","9.2054","0.0002","90","","90","","120","","8600.3","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H32 N6 O3 Zn -","- C44 H30 N6 O3 Zn -","- C396 H270 N54 O27 Zn9 -","9","0.5","","Kühn, Elisabeth; Bulach, Véronique; Hosseini, Mir Wais","Molecular tectonics: control of pore size and polarity in 3-D hexagonal coordination networks based on porphyrins and a zinc cation.","Chemical communications (Cambridge, England)","2008","","41","5104","5106","10.1039/b812831f","","","0.71073","MoKα","","0.0717","0.0572","","","0.1584","0.1719","","","","","","1.034","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103454","32.941","0.002","32.941","0.002","9.4384","0.0011","90","","90","","120","","8869.5","1.3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H26 N6 O2 Zn -","- C42 H26 N6 O2 Zn -","- C378 H234 N54 O18 Zn9 -","9","0.5","","Kühn, Elisabeth; Bulach, Véronique; Hosseini, Mir Wais","Molecular tectonics: control of pore size and polarity in 3-D hexagonal coordination networks based on porphyrins and a zinc cation.","Chemical communications (Cambridge, England)","2008","","41","5104","5106","10.1039/b812831f","","","0.71073","MoKα","","0.2053","0.1057","","","0.2487","0.2888","","","","","","1.022","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103455","33.1347","0.0004","33.1347","0.0004","9.1686","0.0003","90","","90","","120","","8717.7","0.3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H28 F6 N6 O2 Zn -","- C44 H24 F6 N6 O2 Zn -","- C396 H216 F54 N54 O18 Zn9 -","9","0.5","","Kühn, Elisabeth; Bulach, Véronique; Hosseini, Mir Wais","Molecular tectonics: control of pore size and polarity in 3-D hexagonal coordination networks based on porphyrins and a zinc cation.","Chemical communications (Cambridge, England)","2008","","41","5104","5106","10.1039/b812831f","","","0.71073","MoKα","","0.116","0.0628","","","0.178","0.2028","","","","","","1.202","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103464","40.045","0.0003","40.045","0.0003","11.2671","0.0001","90","","90","","120","","15647.3","0.2","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","Ti2(N2Npy)2{u-N(NPh2)C(Me)N}2 . 0.8 C6H6","","- C62.8 H88.8 N12 Si4 Ti2 -","- C62.8 H88.8 N12 Si4 Ti2 -","- C565.2 H799.2 N108 Si36 Ti18 -","9","0.5","","Selby, Jonathan D; Schulten, Christian; Schwarz, Andrew D; Stasch, Andreas; Clot, Eric; Jones, Cameron; Mountford, Philip","Cycloaddition reactions of transition metal hydrazides with alkynes and heteroalkynes: coupling of Ti=NNPh2 with PhCCMe, PhCCH, MeCN and tBuCP.","Chemical communications (Cambridge, England)","2008","","41","5101","5103","10.1039/b813911c","","","0.71073","MoKα","","0.0603","0.0377","","0.0586","0.0453","0.0453","","","","","","1.0697","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103551","13.3784","0.0003","13.3784","0.0003","34.0617","0.0012","90","","90","","120","","5279.7","0.2","150","","150","","","","","","","","Costas Milios, CM3009","6","R -3 :H","-R 3","148","","","","- C30 H39 Cl Mn3 N3 O14 -","- C30 H39 Cl Mn3 N3 O14 -","- C180 H234 Cl6 Mn18 N18 O84 -","6","0.333333","","Inglis, Ross; Jones, Leigh F; Karotsis, Georgios; Collins, Anna; Parsons, Simon; Perlepes, Spyros P; Wernsdorfer, Wolfgang; Brechin, Euan K","Enhancing SMM properties via axial distortion of Mn(III)3 clusters.","Chemical communications (Cambridge, England)","2008","","45","5924","5926","10.1039/b811796a","","","0.71073","MoKα","","0.0387","0.0288","","0.0679","0.066","0.0679","","","","","","0.8547","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103610","34.535","0.003","34.535","0.003","39.198","0.004","90","","90","","120","","40486","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C79 H79.33 B15 N15 O20.67 -","- C79.0033 H70.02 B15 N15 O20.67 -","- C1422.06 H1260.36 B270 N270 O372.06 -","18","1","","Salazar-Mendoza, Domingo; Guerrero-Alvarez, Jorge; Höpfl, Herbert","3-Pyridineboronic acid ‒> boroxine ‒> pentadecanuclear boron cage ‒> 3D molecular network: a sequence based on two levels of self-complementary self-assembly.","Chemical communications (Cambridge, England)","2008","","48","6543","6545","10.1039/b814918f","","","0.71073","MoKα","","0.147","0.121","","","0.2929","0.3087","","","","","","1.192","","","","has coordinates,has disorder","180139","2020-10-21","18:00:00",""
"7103663","29.6563","0.0018","29.6563","0.0018","19.187","0.003","90","","90","","120","","14614","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","[(5,3-methylphenylpyrazole)2Zn2(OCH2CH2S)]6","","- C132 H132 N24 O6 S6 Zn12 -","- C132 H132 N24 O6 S6 Zn12 -","- C396 H396 N72 O18 S18 Zn36 -","3","0.166667","","Puerta, David T.; Cohen, Seth M.","Synthesis and structure of the hexameric, dodecanuclear metallamacrocycle [(5-methyl-3-phenylpyrazole)2Zn2(OCH2CH2S)]6","Chemical Communications (Cambridge, United Kingdom)","2003","","11","1278","1279","10.1039/b300453h","","","0.71073","MoKα","","0.0916","0.0634","","","0.1949","0.2001","","","","","","1.009","","","","has coordinates","209691","2020-10-21","18:00:00",""
"7103807","10.974","0.004","10.974","0.004","24.475","0.011","90","","90","","120","","2552.7","1.6","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H27 I3 N9 O0 U -","- C18 I2.99 N9 U -","- C54 I8.97 N27 U3 -","3","0.166667","","Enriquez, Alejandro E.; Matonic, John H.; Scott, Brian L.; Neu, Mary P.","Preparation and structures of homoleptic Pu(III) and U(III) acetonitrile salts","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1892","1893","10.1039/b303558a","","","0.71073","MoKα","","0.0863","0.0737","","","0.1273","0.1296","","","","","","2.052","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103810","14.056","0.0004","14.056","0.0004","25.986","0.0007","90","","90","","120","","4446.2","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H39 N O3 Sn -","- C33.93 H38.92 N O3 Sn -","- C203.58 H233.52 N6 O18 Sn6 -","6","0.333333","","Davidson, Matthew G.; Doherty, Cheryl L.; Johnson, Andrew L.; Mahon, Mary F.","Isolation and characterisation of transition and main group metal complexes supported by hydrogen-bonded zwitterionic polyphenolic ligands","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1832","1833","10.1039/b303618a","","","0.71073","MoKα","","0.0594","0.0354","","","0.074","0.0812","","","","","","1.017","","","","has coordinates,has disorder","210401","2020-10-21","18:00:00",""
"7104029","20.467","0.002","20.467","0.002","40.139","0.006","90","","90","","120","","14561","3","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl cupper(I) tetrafluoroborate hexamer","bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl cupper(I) tetrafluoroborate hexamer","","- C30 H28 B Cu F4 N6 O2 -","- C24 H14 B0.663333 Cu F2.65333 N4 -","- C432 H252 B11.94 Cu18 F47.76 N72 -","18","1","","Dolomanov, Oleg V; Blake, Alexander J; Champness, Neil R; Schröder, Martin; Wilson, Claire","A novel synthetic strategy for hexanuclear supramolecular architectures","Chemical communications (Cambridge, England)","2003","","6","682","683","10.1039/b300605k","","","0.71073","MoKα","","0.127","0.0761","","","0.2204","0.2416","","","","","","0.828","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7104030","20.803","0.003","20.803","0.003","40.125","0.01","90","","90","","120","","15038","5","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl silver tetrafluoroborate hexamer","bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl silver tetrafluoroborate hexamer","","- C33 H35 Ag B F4 N7 O3 -","- C24 H14 Ag B0.5 F2 N4 -","- C432 H252 Ag18 B9 F36 N72 -","18","1","","Dolomanov, Oleg V; Blake, Alexander J; Champness, Neil R; Schröder, Martin; Wilson, Claire","A novel synthetic strategy for hexanuclear supramolecular architectures","Chemical communications (Cambridge, England)","2003","","6","682","683","10.1039/b300605k","","","0.71073","MoKα","","0.122","0.0423","","","0.092","0.103","","","","","","0.61","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7104066","39.6981","0.0004","39.6981","0.0004","9.5923","0.0002","90","","90","","120","","13091.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H21 Cd2 N3 O8 -","- C31.5 H17 Cd2 N3 O8 -","- C567 H306 Cd36 N54 O144 -","18","1","","Wang, Ruihu; Hong, Maochun; Luo, Junhua; Cao, Rong; Weng, Jiabao","A new type of three-dimensional framework constructed from dodecanuclear cadmium(II) macrocycles","Chemical Communications (Cambridge, United Kingdom)","2003","","8","1018","1019","10.1039/b212425d","","","0.71073","MoKα","","0.0659","0.0463","","","0.0947","0.1027","","","","","","1.273","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104076","21.008","0.003","21.008","0.003","12.6941","0.0019","90","","90","","120","","4851.8","1.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H60 Ag8 Cl2 O12 P6 Se12 -","- C24 H60 Ag8 Cl2 O12 P6 Se12 -","- C72 H180 Ag24 Cl6 O36 P18 Se36 -","3","0.166667","","Liu, C.-W.; Hung, Chiu-Mine; Haia, Hsien-Chung; Liaw, Ben-Jie; Liou, Lin-Shu; Tsai, Yi-Fang; Wang, Ju-Chun","Ag8Cl2[Se2P(OEt)2]6: a rare example containing a combination of discrete clusters and chains","Chemical Communications (Cambridge, United Kingdom)","2003","","8","976","977","10.1039/b300887h","","","0.71073","MoKα","","0.1082","0.0612","","","0.1508","0.1749","","","","","","1.033","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7104154","20.1038","0.001","20.1038","0.001","39.313","0.002","90","","90","","120","","13760.1","1.2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C139 H244 Cl9.5 Dy Mn18 N4.5 O75 -","- C126 H150 Cl6.5 Dy Mn18 N4.5 O62 -","- C378 H450 Cl19.5 Dy3 Mn54 N13.5 O186 -","3","0.166667","","Ako, Ayuk M; Mereacre, Valeriu; Clérac, Rodolphe; Wernsdorfer, Wolfgang; Hewitt, Ian J; Anson, Christopher E; Powell, Annie K","A [Mn18Dy] SMM resulting from the targeted replacement of the central MnII in the S = 83/2 [Mn19]-aggregate with DyIII.","Chemical communications (Cambridge, England)","2009","34","5","544","546","10.1039/b814614d","","","0.71073","MoKα","","0.1173","0.0652","","","0.1368","0.1486","","","","","","0.961","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7104233","41.505","0.0009","41.505","0.0009","21.8734","0.0004","90","","90","","120","","32632.3","1.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C53 H59 Ga La N9 O14 -","- C53 H59 Ga La N9 O14 -","- C954 H1062 Ga18 La18 N162 O252 -","18","1","","Albrecht, Markus; Liu, Yufeng; Zhu, Sascha S; Schalley, Christoph A; Fröhlich, Roland","Self-assembly of heterodinuclear triple-stranded helicates: control by coordination number and charge.","Chemical communications (Cambridge, England)","2009","34","10","1195","1197","10.1039/b821819f","","","0.71073","MoKα","","0.127","0.0825","","","0.2167","0.2443","","","","","","1.117","","","","has coordinates,has disorder","180145","2020-10-21","18:00:00",""
"7104355","16.6537","0.0009","16.6537","0.0009","33.4873","0.0018","90","","90","","120","","8043.3","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H84 Cd2 Cl4 N26 O8 -","- C102 H84 Cd2 Cl4 N26 O8 -","- C306 H252 Cd6 Cl12 N78 O24 -","3","0.166667","","Jang, Ji-Jun; Li, Lei; Yang, Tao; Kuang, Dai-Bin; Wang, Wei; Su, Cheng-Yong","Self-assembly of 2D Borromean networks through hydrogen-bonding recognition.","Chemical communications (Cambridge, England)","2009","34","17","2387","2389","10.1039/b820831j","","","0.71073","MoKα","","0.1719","0.0872","","","0.2196","0.2451","","","","","","1.067","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104356","16.541","0.008","16.541","0.008","33.39","0.009","90","","90","","120","","7912","6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H84 Cl4 Mn2 N26 O8 -","- C102 H84 Cl4 Mn2 N26 O8 -","- C306 H252 Cl12 Mn6 N78 O24 -","3","0.166667","","Jang, Ji-Jun; Li, Lei; Yang, Tao; Kuang, Dai-Bin; Wang, Wei; Su, Cheng-Yong","Self-assembly of 2D Borromean networks through hydrogen-bonding recognition.","Chemical communications (Cambridge, England)","2009","34","17","2387","2389","10.1039/b820831j","","","0.71073","MoKα","","0.2663","0.1335","","","0.3076","0.3434","","","","","","1.086","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104357","16.8323","0.0004","16.8323","0.0004","32.6236","0.0014","90","","90","","120","","8004.8","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H98 Cl2 N26 O14 -","- C102 H85.98 Cl2 N26 O13.96 -","- C306 H257.94 Cl6 N78 O41.88 -","3","0.166667","","Jang, Ji-Jun; Li, Lei; Yang, Tao; Kuang, Dai-Bin; Wang, Wei; Su, Cheng-Yong","Self-assembly of 2D Borromean networks through hydrogen-bonding recognition.","Chemical communications (Cambridge, England)","2009","34","17","2387","2389","10.1039/b820831j","","","1.54178","CuKα","","0.1274","0.0959","","","0.2424","0.2571","","","","","","1.017","","","","has coordinates,has disorder","180146","2020-10-21","18:00:00",""
"7104698","46.279","0.002","46.279","0.002","12.467","0.0009","90","","90","","120","","23124","2","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","DiOPr Cal4 Tri Acid Py","","","- C42 H40 N O10.5 -","- C42 H40 N O10.5 -","- C756 H720 N18 O189 -","18","1","","Kennedy, Stuart; Dalgarno, Scott J","Modulation of nanotube packing through the controlled self-assembly of tris-p-carboxylatocalix[4]arenes.","Chemical communications (Cambridge, England)","2009","34","35","5275","5277","10.1039/b909456c","","","0.71073","MoKα","","0.2861","0.1406","","","0.3545","0.4184","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105032","27.226","0.006","27.226","0.006","8.981","0.006","90","","90","","120","","5765.9","4.2","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 Cu N12 -","- C22 H14 Cu N12 -","- C198 H126 Cu9 N108 -","9","0.5","","Liu, Deng; Li, Mian; Li, Dan","Reversible solid-gas chemical equilibrium between a 0-periodic deformable molecular tecton and a 3-periodic coordination architecture.","Chemical communications (Cambridge, England)","2009","","45","6943","6945","10.1039/b911955h","","","0.71073","MoKα","","0.0881","0.0628","","","0.1889","0.2009","","","","","","1.056","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105153","23.895","0.002","23.895","0.002","15.255","0.003","90","","90","","120","","7543.4","1.7","110","2","110","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C342 H414 N18 O54 S18 -","18","1","","Bhargava, Gaurav; Trillo, Beatriz; Araya, Marisel; López, Fernando; Castedo, Luis; Mascareñas, José L","Palladium-catalyzed [3C + 2C + 2C] cycloaddition of enynylidenecyclopropanes: efficient construction of fused 5-7-5 tricyclic systems.","Chemical communications (Cambridge, England)","2009","46","2","270","272","10.1039/b919258a","","x-ray","0.7107","MoKα","","0.0788","0.0421","","","0.0948","0.1113","","","","","","1.006","","","","has coordinates","288178","2023-12-08","09:51:08",""
"7105220","15.7475","0.0008","15.7475","0.0008","25.5829","0.0011","90","","90","","120","","5494.2","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H30 Co Fe N18 -","- C36 H30 Co Fe N18 -","- C216 H180 Co6 Fe6 N108 -","6","0.333333","","Zhuge, Fuyu; Wu, Biao; Yang, Jin; Janiak, Christoph; Tang, Ning; Yang, Xiao-Juan","Microscale hexagonal rods of a charge-assisted second-sphere coordination compound [Co(DABP)3][Fe(CN)6].","Chemical communications (Cambridge, England)","2010","46","7","1121","1123","10.1039/b914216a","","","0.71073","MoKα","","0.1237","0.0468","","","0.1149","0.1483","","","","","","0.994","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7105258","19.31","0.0007","19.31","0.0007","40.62","0.002","90","","90","","120","","13117","1","173.1","","173.1","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C198 H201 F24 N15 O12 P4 Pd7 -","- C192 H192 F23.992 N12 O12 P4 Pd7 -","- C576 H576 F71.976 N36 O36 P12 Pd21 -","3","0.166667","","Asato, Eiji; Kyan, Ayano; Madanbashi, Tomokura; Tamura, Toshihide; Tadokoro, Makoto; Mizuno, Motohiro","The first example of metallocene-like coordination mode of THBQ4−: A mixed-valence heptanucler palladium complex [Pd7(THBQ)2(tben)6](PF6)4","Chemical Communications","2010","46","8","1227","","10.1039/b919854g","","","0.7107","MoKα","","","0.0478","","","","0.1091","","","","","","1.111","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105380","23.7647","0.0006","23.7647","0.0006","25.3824","0.0008","90","","90","","120","","12414.5","0.6","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H156 Cu6 N24 O48 S12 -","- C144 H108 Cu6 N24 O48.01 S12 -","- C432 H324 Cu18 N72 O144.03 S36 -","3","0.166667","","Tanh Jeazet, Harold B; Gloe, Kerstin; Doert, Thomas; Kataeva, Olga N; Jäger, Anne; Geipel, Gerhard; Bernhard, Gert; Büchner, Bernd; Gloe, Karsten","Self-assembly of neutral hexanuclear circular copper(II) meso-helicates: topological control by sulfate ions.","Chemical communications (Cambridge, England)","2010","46","14","2373","2375","10.1039/b925469b","","","0.71073","MoKα","","0.0837","0.0539","","","0.1382","0.1578","","","","","","1.086","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105381","23.4688","0.0003","23.4688","0.0003","25.3619","0.0005","90","","90","","120","","12097.5","0.3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H156 Cu6 N24 O54 S6 -","- C144 H108 Cu6 N24 O54.02 S6 -","- C432 H324 Cu18 N72 O162.06 S18 -","3","0.166667","","Tanh Jeazet, Harold B; Gloe, Kerstin; Doert, Thomas; Kataeva, Olga N; Jäger, Anne; Geipel, Gerhard; Bernhard, Gert; Büchner, Bernd; Gloe, Karsten","Self-assembly of neutral hexanuclear circular copper(II) meso-helicates: topological control by sulfate ions.","Chemical communications (Cambridge, England)","2010","46","14","2373","2375","10.1039/b925469b","","","0.71073","MoKα","","0.0726","0.0479","","","0.1428","0.1528","","","","","","1.08","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105382","23.6595","0.0002","23.6595","0.0002","25.3773","0.0004","90","","90","","120","","12302.3","0.2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C150 H168 Cu6 N24 O48 S6 -","- C150 H120 Cu6 N24 O48.04 S6 -","- C450 H360 Cu18 N72 O144.12 S18 -","3","0.166667","","Tanh Jeazet, Harold B; Gloe, Kerstin; Doert, Thomas; Kataeva, Olga N; Jäger, Anne; Geipel, Gerhard; Bernhard, Gert; Büchner, Bernd; Gloe, Karsten","Self-assembly of neutral hexanuclear circular copper(II) meso-helicates: topological control by sulfate ions.","Chemical communications (Cambridge, England)","2010","46","14","2373","2375","10.1039/b925469b","","","0.71073","MoKα","","0.1078","0.0499","","","0.1382","0.1637","","","","","","0.967","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105732","18.962","0.002","18.962","0.002","14.0112","0.0018","90","","90","","120","","4362.9","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H12 Cd3 O61 P6 U6 -","- C12 H12 Cd3 O61 P6 U6 -","- C36 H36 Cd9 O183 P18 U18 -","3","0.166667","","Andrea Alsobrook; Brad Hauser; Joseph Hupp; Evgeny V.Alekseev; Wulf Depmeier; Thomas Albrecht-Schmitt","Cubic and rhombohedral heterobimetallic networks constructed from uranium, transition metals, and phosphonoacetate: new methods for constructing porous materials","Chem.Commun.","2010","46","","9167","","10.1039/c0cc03507f","","","0.71073","MoKα","","0.0335","0.0253","","","0.0494","0.0519","","","","","","1.044","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105772","17.1496","0.0012","17.1496","","33.798","0.002","90","","90","","120","","8608.5","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C53.27 H47.27 Cl6.82 F3 O3 -","- C53.274 H47.274 Cl6.822 F3 O3 -","- C319.644 H283.644 Cl40.932 F18 O18 -","6","0.333333","","Ho Yong Lee; Andras Olasz; Maren Pink; Hyunsoo Park; Dongwhan Lee","The art of stacking: structural folding and self-assembly of branched p-conjugation assisted by O-H***O and C-H***F hydrogen bonds","Chem.Commun.","2011","47","","481","","10.1039/c0cc02177f","","","0.71073","MoKα","","0.1089","0.0905","","","0.2683","0.296","","","","","","1.059","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105970","26.7783","0.0012","26.7783","","10.9031","0.0004","90","","90","","120","","6770.9","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","4-p-Hydroxyphenyl-2,2,4-trimethylchroman","4-p-Hydroxyphenyl-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0745","0.0479","","","0.1224","0.128","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105971","27.2014","0.001","27.2014","","11.0239","0.0003","90","","90","","120","","7064","0.3","299","2","299","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C56.97 H67.92 O6.99 -","- C341.82 H407.52 O41.94 -","6","0.333333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0762","0.0609","","","0.1786","0.1875","","","","","","1.002","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105972","27.0106","0.0004","27.0106","","10.976","0.0001","90","","90","","120","","6934.95","0.12","182","2","182","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C56.97 H67.92 O6.99 -","- C341.82 H407.52 O41.94 -","6","0.333333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0706","0.0617","","","0.1729","0.1791","","","","","","1.003","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105973","53.9718","0.001","53.9718","","11.0324","0.0003","90","","90","","120","","27831.4","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C56.9925 H67.98 O6.9975 -","- C1367.82 H1631.52 O167.94 -","24","1.33333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.71073","MoKα","","0.0635","0.0501","","","0.1221","0.1272","","","","","","1.005","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105974","53.7098","0.0013","53.7098","","10.9911","0.0003","90","","90","","120","","27458.6","1","15","2","15","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman isopropanol clathrate","","- C57 H68 O7 -","- C57 H68 O7 -","- C1368 H1632 O168 -","24","1.33333","","Jackson J. Lee; Rebecca O. Fuller; Alexandre N. Sobolev; Henrik F. Clausen; Jacob Overgaard; George A. Koutsantonis; Bo B. Iversen; Mark A. Spackman","Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound","Chem.Commun.","2011","47","","2029","","10.1039/c0cc04418k","","","0.41328","synchrotron","","0.0908","0.0669","","","0.1711","0.1811","","","","","","1.057","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7106036","38.231","0.006","38.231","0.006","13.424","0.002","90","","90","","120","","16992","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C228 H240 Cu4 N48 O40 S4 -","- C228 H240 Cu4 N48 O40 S4 -","- C684 H720 Cu12 N144 O120 S12 -","3","0.166667","","Zaiwen Yang; Biao Wu; Xiaojuan Huang; Yanyan Liu; Shaoguang Li; Yana Xia; Chuandong Jia; Xiao-Juan Yang","Sulfate encapsulation in a metal-assisted capsule based on a mono-pyridylurea ligand","Chem.Commun.","2011","47","","2880","","10.1039/c0cc03043k","","","0.71073","MoKα","","0.0959","0.0568","","","0.1113","0.1189","","","","","","1.06","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106037","37.5437","0.0015","37.5437","0.0015","13.517","0.0011","90","","90","","120","","16500","1.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C228 H240 Cu4 N48 O40 S4 -","- C228 H240 Cu4 N48 O39.96 S4 -","- C684 H720 Cu12 N144 O119.88 S12 -","3","0.166667","","Zaiwen Yang; Biao Wu; Xiaojuan Huang; Yanyan Liu; Shaoguang Li; Yana Xia; Chuandong Jia; Xiao-Juan Yang","Sulfate encapsulation in a metal-assisted capsule based on a mono-pyridylurea ligand","Chem.Commun.","2011","47","","2880","","10.1039/c0cc03043k","","","0.71073","MoKα","","0.066","0.0416","","","0.0658","0.0692","","","","","","1.103","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106042","10.6329","0.001","10.6329","0.001","24.569","0.002","90","","90","","120","","2405.6","0.4","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H42 Mg N12 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Daniel Kratzert; Dirk Leusser; Daniel Stern; Jens Meyer; Frank Breher; Dietmar Stalke","Experimental charge density distribution of non-coordinating sp3 carbanions in [Mg{(pz*)3C}2]","Chem.Commun.","2011","47","","2931","","10.1039/c0cc04688d","","","0.71073","MoKα","","0.019","0.016","","","","0.034","0.021","","","","","2.476","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106065","15.5893","0.0014","15.5893","0.0014","19.0929","0.0014","90","","90","","120","","4018.4","0.6","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H22 B N6 O6 Re -","- C27 H22 B N6 O6 Re -","- C162 H132 B6 N36 O36 Re6 -","6","0.333333","","Ahmed Al-Harbi; Wesley Sattler; Aaron Sattler; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-oxo-1-t-butylimidazolyl) and Tris(2-oxo-1-methylbenzimidazolyl) hydroborato Complexes: A New Class of Tripodal Oxygen Donor Ligand","Chem.Commun.","2011","47","","3123","","10.1039/c0cc03943h","","","0.71073","MoKα","","0.0187","0.0167","","","0.041","0.0418","","","","","","1.063","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106180","46.262","0.002","46.262","0.002","8.3856","0.0003","90","","90","","120","","15542.2","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H46.33 Co N4 O8.67 -","- C35 H45 Co N4 O8 -","- C630 H810 Co18 N72 O144 -","18","1","","James W. Leeland; Fraser J. White; Jason B. Love","Hexagonal wheel formation through the hydrogen-bonded assembly of cobalt Pacman complexes","Chem.Commun.","2011","47","","4132","","10.1039/c0cc04883f","","","1.54184","CuKα","","0.0795","0.0669","","","0.1618","0.1669","","","","","","0.968","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106375","39.918","0.004","39.918","0.004","7.7112","0.0008","90","","90","","120","","10641.2","1.9","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H26 Cd4 F12 O23 -","- C38 H16 Cd4 F12 O23 -","- C342 H144 Cd36 F108 O207 -","9","0.5","","Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Ying Guo; Chen Jin; Qi-Zhen Shi","A rod packing microporous metal-organic framework: unprecedented ukv topology, high sorption selectivity and affinity for CO2","Chem.Commun.","2011","47","","5464","","10.1039/c1cc10990a","","","0.71073","MoKα","","0.0544","0.0385","","","0.0901","0.0994","","","","","","1.046","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106451","12.475","0.004","12.475","0.004","26.82","0.007","90","","90","","120","","3614.7","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","(HL)2Fe6Br6","","","- C46 H48 Br6 Fe6 N12 -","- C46 H42 Br6 Fe6 N12 -","- C138 H126 Br18 Fe18 N36 -","3","0.166667","","Harris, T. David; Zhao, Qinliang; Sánchez, Raúl Hernández; Betley, Theodore A.","Expanded redox accessibility via ligand substitution in an octahedral Fe6Br6 cluster""","Chem.Commun.","2011","47","","6344","6346","10.1039/c1cc11561h","","","0.71073","MoKα","","0.0767","0.0482","","","0.1261","0.1469","","","","","","1.083","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106487","33.73","0.004","33.73","0.004","13.4121","0.0018","90","","90","","120","","13215","3","119","2","119","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C19 H18 F12 N6 Ni P2 -","- C19 H18 F12 N6 Ni P2 -","- C342 H324 F216 N108 Ni18 P36 -","18","1","","V. Sara Thoi; Christopher J. Chang","Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water","Chem.Commun.","2011","","","6578","","10.1039/c1cc10449g","","","0.71073","MoKα","","0.0485","0.0406","","","0.1052","0.1099","","","","","","1.101","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106734","35.332","0.007","35.332","0.007","38.836","0.008","90","","90","","120","","41986","15","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H176 Fe4 N16 Si8 U4 -","- C120 H176 Fe4 N16 Si8 U4 -","- C1080 H1584 Fe36 N144 Si72 U36 -","9","0.5","","Marisa J. Monreal; Saeed I. Khan; Jaqueline L. Kiplinger; Paula L. Diaconescu","Molecular quadrangle formation from a diuranium m-e<sup>6</sup>,e<sup>6</sup>-toluene complex","Chem.Commun.","2011","47","","9119","","10.1039/c1cc12367j","","","0.71073","MoKα","","0.0911","0.058","","","0.1442","0.158","","","","","","0.946","","","","has coordinates,has disorder","180171","2020-10-21","18:00:00",""
"7106738","27.085","0.006","27.085","0.006","10.329","0.006","90","","90","","120","","6562","4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H20 Mg N10 -","- C26 H20 Mg N10 -","- C234 H180 Mg9 N90 -","9","0.5","","Jian-Bin Lin; Rui-Biao Lin; Xiao-Ning Cheng; Jie-Peng Zhang; Xiao-Ming Chen","Solvent/Additive-Free Synthesis of Porous/Zeolitic Metal Azolate Frameworks from Metal Oxide/Hydroxide","Chem.Commun.","2011","47","","9185","","10.1039/c1cc12763b","","","0.71073","MoKα","","0.2207","0.0751","","","0.1265","0.1444","","","","","","1","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106739","27.214","0.009","27.214","0.009","10.206","0.006","90","","90","","120","","6546","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H20 N10 Zn -","- C26 H20 N10 Zn -","- C234 H180 N90 Zn9 -","9","0.5","","Jian-Bin Lin; Rui-Biao Lin; Xiao-Ning Cheng; Jie-Peng Zhang; Xiao-Ming Chen","Solvent/Additive-Free Synthesis of Porous/Zeolitic Metal Azolate Frameworks from Metal Oxide/Hydroxide","Chem.Commun.","2011","47","","9185","","10.1039/c1cc12763b","","","0.71073","MoKα","","0.1204","0.068","","","0.1181","0.13","","","","","","1.008","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106779","15.18","0.002","15.18","0.002","27.583","0.006","90","","90","","120","","5504.5","1.6","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C33 H33 N15 -","- C33 H33 N15 -","- C198 H198 N90 -","6","0.333333","","Li-Xia Wang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis of 1,3,5-alternate azacalix[3]pyridine[3]pyrimidine and its complexation with fullerenes via multiple p/p and CH/p interactions","Chem.Commun.","2011","47","","9690","","10.1039/c1cc11514f","","","0.71069","MoKα","","0.11","0.0783","","","0.1914","0.2049","","","","","","1.033","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106866","26.718","0.005","26.718","0.005","7.7553","0.0019","90","","90","","120","","4794.4","1.7","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H62 Cu3 N6 O19 -","- C54 H62.04 Cu3 N6 O19 -","- C162 H186.12 Cu9 N18 O57 -","3","0.166667","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.0576","0.046","","","0.116","0.1236","","","","","","1.039","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106867","26.473","0.004","26.473","0.004","7.635","0.002","90","","90","","120","","4633.9","1.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H48 Cu3 N6 O12 -","- C54 H48 Cu3 N6 O12 -","- C162 H144 Cu9 N18 O36 -","3","0.166667","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.0827","0.0513","","","0.1146","0.1293","","","","","","0.985","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106868","26.642","0.004","26.642","0.004","7.741","0.002","90","","90","","120","","4758.4","1.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H62 Cu3 N6 O19 -","- C54 H62.04 Cu3 N6 O19 -","- C162 H186.12 Cu9 N18 O57 -","3","0.166667","","Gui-Ge Hou; Yue Liu; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","NbO lattice MOFs based on octahedral M(II) and ditopic pyridyl substituted diketonate ligands: structure, encapsulation and guest-driven luminescent property","Chem.Commun.","2011","47","","10731","","10.1039/c1cc14115e","","","0.71073","MoKα","","0.067","0.0463","","","0.1159","0.1225","","","","","","0.936","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7107069","18.4873","0.0004","18.4873","0.0004","25.7549","0.0006","90","","90","","120","","7623.2","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H39 Cu7 I4 N10 -","- C45 H38.97 Cu7 I4 N10 -","- C270 H233.82 Cu42 I24 N60 -","6","0.333333","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jun-Hao Wang; Ju-Rong Yang; Dan Li","When Cu4I4 cubane meets Cu3(Pyrazolate)3 triangle: dynamic interplay between two classical luminophores functioning in a reversiblly thermochromic coordination polymer","Chem.Commun.","2011","47","","12441","","10.1039/c1cc14303d","","","0.7107","MoKα","","0.0552","0.0372","","","0.0709","0.0792","","","","","","1.024","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107070","18.469","0.0004","18.469","0.0004","25.3532","0.0006","90","","90","","120","","7489.5","0.3","100","2","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H39 Cu7 I4 N10 -","- C45 H38.97 Cu7 I4 N10 -","- C270 H233.82 Cu42 I24 N60 -","6","0.333333","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jun-Hao Wang; Ju-Rong Yang; Dan Li","When Cu4I4 cubane meets Cu3(Pyrazolate)3 triangle: dynamic interplay between two classical luminophores functioning in a reversiblly thermochromic coordination polymer","Chem.Commun.","2011","47","","12441","","10.1039/c1cc14303d","","","0.7107","MoKα","","0.0588","0.0402","","","0.0705","0.0811","","","","","","1.077","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107250","31.419","0.005","31.419","0.005","9.403","0.005","90","0.005","90","0.005","120","0.005","8039","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H34 N2 O6 -","- C36 H34 N2 O6 -","- C324 H306 N18 O54 -","9","0.5","","Yong S. Chong; William G. Burns; Brent E. Dial; Ken D. Shimizu","Covalent locking and unlocking of an atropisomeric molecular switch","Chem.Commun.","2012","48","","1296","","10.1039/c2cc16511b","","","0.71069","MoKα","","0.1249","0.0707","","","0.1779","0.1973","","","","","","1.02","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107414","27.978","0.002","27.978","0.002","14.9798","0.001","90","","90","","120","","10154.8","1.2","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C11 H14 Ag Cl N4 O5 S -","- C11 H14 Ag Cl N4 O5 S -","- C198 H252 Ag18 Cl18 N72 O90 S18 -","18","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.1831","0.1058","","","0.3047","0.3373","","","","","","1.124","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107415","28.3911","0.0013","28.3911","0.0013","11.7766","0.0017","90","","90","","120","","8220.8","1.3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.5 H9 Ag Cl2 N4 O4 -","- C9.5 H9 Ag Cl2 N4 O4 -","- C171 H162 Ag18 Cl36 N72 O72 -","18","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.1381","0.0796","","","0.2647","0.295","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107416","28.3534","0.0015","28.3534","0.0015","13.9544","0.0019","90","","90","","120","","9715.2","1.5","150","2","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H14 Ag Cl N4 O5 -","- C12 H14 Ag Cl N4 O5 -","- C216 H252 Ag18 Cl18 N72 O90 -","18","1","","Witold Bloch; Christopher Sumby","Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer","Chem.Commun.","2012","48","","2534","","10.1039/c2cc17440e","","","0.7107","MoKα","","0.205","0.1306","","","0.3826","0.4174","","","","","","1.2","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107446","28.8897","0.0014","28.8897","0.0014","53.152","0.006","90","","90","","120","","38418","5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C342 H277 Cl16 Co8 N75 O66 -","- C342 H273 Cl14.04 Co8 N75 O58.16 -","- C1026 H819 Cl42.12 Co24 N225 O174.48 -","3","0.166667","","Simon Turega; Martina Whitehead; Benjamin R. Hall; Mairi F. Haddow; Christopher A. Hunter; Michael D. Ward","Selective guest recognition by a self-assembled paramagnetic cage complex","Chem. Commun.","2012","48","","2752","","10.1039/c2cc17369g","","","1.54178","CuKα","","0.1124","0.1003","","","0.2655","0.2842","","","","","","1.134","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107531","51.1835","0.0013","51.1835","","16.2681","0.0004","90","","90","","120","","36908.6","1.3","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C71 H58 N6 O10 Pb -","- C71 H58 N6 O10 Pb -","- C1278 H1044 N108 O180 Pb18 -","18","1","","Stephane Le Gac; Btissam Najjari; Luca Fusaro; Thierry Roisnel; Vincent Dorcet; Michel Luhmer; Eric Furet; Jean-Francois Halet; Bernard Boitrel","Translocation-coupled transmetalation at the origin of a dinuclear lead porphyrin complex: implication of a hanging-atop coordination mode","Chem.Commun.","2012","48","","3724","","10.1039/c2cc00067a","","x-ray","0.71073","MoKα","","0.0688","0.0402","","","0.0925","0.0998","","","","","","0.924","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107552","30.408","0.002","30.408","0.002","53.007","0.006","90","","90","","120","","42446","6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C212 H276 Ag6 N30 O18 P12 -","- C212 H269.97 Ag6 N27 O9 P12 -","- C1272 H1619.82 Ag36 N162 O54 P72 -","6","0.333333","","Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James","Selective formation of a polar incomplete coordination cage induced by remote ligand substituents","Chem.Commun.","2012","48","","4061","","10.1039/c2cc17832j","","","0.71073","MoKα","","0.2219","0.1219","","","0.3425","0.376","","","","","","1.006","","","","has coordinates,has disorder","180179","2020-10-21","18:00:00",""
"7107570","22.4652","0.0008","22.4652","0.0008","7.3495","0.0003","90","","90","","120","","3212.2","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H7 Fe N12 -","- C12 H6.99 Fe N12 -","- C72 H41.94 Fe6 N72 -","6","0.333333","","Zheng Yan; Mian Li; Hui-Ling Gao; Xiao-Chun Huang; Dan Li","High-spin versus spin-crossover versus low-spin: symmetry intervention in cooperativity in a 3D polymorphic iron(II)-tetrazole system","Chem.Commun.","2012","48","","3960","","10.1039/c2cc18140a","","","0.71073","MoKα","","0.0525","0.0435","","","0.1099","0.1157","","","","","","1.11","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107609","30.302","0.003","30.302","0.003","41.215","0.004","90","","90","","120","","32774","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C186 H180 F18 Ir6 N24 O24 S6 -","- C186 H156 F18 Ir6 N24 O24 S6 -","- C1116 H936 F108 Ir36 N144 O144 S36 -","6","0.333333","","Tong Wu; Lin-Hong Weng; Guo-Xin Jin","Sunlight induced cycloaddition and host-guest property of self-assembled organometallic macrocycles based on a versatile building block","Chem.Commun.","2012","48","","4435","","10.1039/c2cc30630a","","","0.71073","MoKα","","0.1007","0.0643","","","0.1708","0.1938","","","","","","0.99","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107678","50.222","0.015","50.222","0.015","9.718","0.003","90","","90","","120","","21227","11","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","chloropalladium meso-anthriporphyrin","","","- C57.55 H42.1 Cl3.3 N3 O0.1 Pd -","- C57.55 H41.9 Cl3.3 N3 O0.1 Pd -","- C1035.9 H754.2 Cl59.4 N54 O1.8 Pd18 -","18","1","","Bartosz Szyszko; Lechoslaw Latos-Grazynski; Ludmila Szterenberg","Toward aceneporphyrinoids: synthesis and transformations of palladium(II) meso-anthriporphyrin","Chem.Commun.","2012","48","","5004","","10.1039/c2cc30362k","","","0.71073","MoKα","","0.0813","0.0424","","","0.0922","0.0969","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107776","41.3528","0.0018","41.3528","0.0018","18.2765","0.0015","90","","90","","120","","27067","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C28 H49 Cu4 N17 O19 S2 -","- C25 H28 Cu4 N16 O15 S2 -","- C450 H504 Cu72 N288 O270 S36 -","18","1","","Zhouqing Xu; Qiang Wang; Huijun Li; Wei Meng; Yi Han; Hongwei Hou; Yaoting Fan","Self-assembly of unprecedented [8 + 12] Cu-metallamacrocycle-based 3D metal-organic frameworks","Chem.Commun.","2012","48","","5736","","10.1039/c2cc31590d","","","0.71073","MoKα","","0.1004","0.0552","","","0.1523","0.1649","","","","","","0.998","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107777","34.4325","0.0012","34.4325","0.0012","13.0911","0.0009","90","","90","","120","","13441.4","1.1","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H33 Cu2 N7 O13 S2 -","- C13 H19 Cu2 N7 O7 S2 -","- C234 H342 Cu36 N126 O126 S36 -","18","1","","Zhouqing Xu; Qiang Wang; Huijun Li; Wei Meng; Yi Han; Hongwei Hou; Yaoting Fan","Self-assembly of unprecedented [8 + 12] Cu-metallamacrocycle-based 3D metal-organic frameworks","Chem.Commun.","2012","48","","5736","","10.1039/c2cc31590d","","","0.71073","MoKα","","0.0698","0.0568","","","0.1873","0.1985","","","","","","1.075","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107866","31.4581","0.0018","31.4581","0.0018","8.0818","0.0006","90","","90","","120","","6926.3","0.8","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C342 H360 O36 -","18","1","","Feijun Wang; Mingliang Qu; Xi Lu; Feng Chen; Min Shi","Me3SiI-promoted reaction of salicylic aldehydes with ketones: a facile way to construct benzopyranic [2,3-b]ketals and spiroketals","Chem.Commun.","2012","48","","6259","","10.1039/c2cc32545d","","","0.71073","MoKα","","0.0725","0.0407","","","0.0977","0.1094","","","","","","1.032","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7108061","14.7996","0.0002","14.7996","0.0002","11.1737","0.0003","90","","90","","120","","2119.47","0.07","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Bi6 H18 N6 O27 S6 -","- Bi6 H16 N6 O27 S6 -","- Bi18 H48 N18 O81 S18 -","3","0.166667","","Philip C. Andrews; Madleen Busse; Peter C. Junk; Craig M. Forsyth; Roshani Peiris","Sulfonato-encapsulated bismuth(III) oxido-clusters from Bi2O3 in water under mild conditions","Chem.Commun.","2012","48","","7583","","10.1039/c2cc33495j","","","0.71073","MoKα","","0.0293","0.0251","","","0.0508","0.0523","","","","","","1.148","","","","has coordinates,has disorder","180184","2020-10-21","18:00:00",""
"7108118","20.2892","0.0009","20.2892","0.0009","23.219","0.002","90","","90","","120","","8277.6","0.9","291","2","291","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H104 N14 O19 -","- C120 H104 N14 O19 -","- C360 H312.001 N42 O57 -","3","0.166667","","Chao Deng; Ru Fang; Yangfan Guan; Juli Jiang; Chen Lin; Leyong Wang","Sonication-induced self-assembly of flexible tris(ureidobenzyl)amine: from dimeric aggregates to supramolecular gels","Chem.Commun.","2012","48","","7973","","10.1039/c2cc33408a","","","0.71073","MoKα","","0.0694","0.0479","","","0.1144","0.1226","","","","","","1.031","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108222","8.9636","0.0003","8.9636","0.0003","19.2832","0.0011","90","","90","","120","","1341.76","0.1","190","2","190","2","","","","","","","","4","R -3 :H","-R 3","148","Ca-BTC","","","- C18 H6 Ca3 O12 -","- C18 H6 Ca3 O12 -","- C54 H18 Ca9 O36 -","3","0.166667","","Arijit Mallick; Tanay Kundu; Rahul Banerjee","Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks","Chem.Commun.","2012","48","","8829","","10.1039/c2cc34006b","","","0.71073","MoKα","","0.0468","0.0375","","","0.0874","0.0953","","","","","","1.139","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7108266","21.5759","0.0008","21.5759","0.0008","9.3544","0.0006","90","","90","","120","","3771.2","0.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H13 N2 O2 -","- C6 H13 N2 O2 -","- C108 H234 N36 O36 -","18","1","","Xiaoju Li; Xiahong Xu; Daqiang Yuan; Xiulan Weng","Hexagonal prismatic dodecameric water cluster: a building unit of the five-fold interpenetrating six-connected supramolecular network","Chem.Commun.","2012","48","","9014","","10.1039/c2cc34412b","","","0.71073","MoKα","","0.0653","0.0504","","","0.1421","0.1511","","","","","","1.104","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108315","30.9426","0.0005","30.9426","0.0005","35.5088","0.0013","90","","90","","120","","29442.9","1.3","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C116 H128 Cl6 Gd6 N48 O66 -","- C115.99 H78 Cl6 Gd6 N48 O66 -","- C695.94 H468 Cl36 Gd36 N288 O396 -","6","0.333333","","Cheng He; Xiao Wu; Jichuan Kong; Tao liu; Xiaolin Zhang; Chunying Duan","A hexanuclear gadolinium-organic octahedron as a sensitive MRI contrast agent for selectively imaging glucosamine in aqueous media","Chem.Commun.","2012","48","","9290","","10.1039/c2cc33177b","","","0.71073","MoKα","","0.2465","0.0795","","","0.1853","0.2091","","","","","","1.028","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108325","36.061","0.003","36.061","0.003","24.163","0.003","90","","90","","120","","27212","5","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H27 Cl6 N O14 Zn2 -","- C41 H27 Cl6 N O14 Zn2 -","- C738 H486 Cl108 N18 O252 Zn36 -","18","1","","Phuong V. Dau; Kristine K. Tanabe; Seth M. Cohen","Functional group effects on metal-organic framework topology","Chem.Commun.","2012","48","","9370","","10.1039/c2cc34938h","","","0.71073","MoKα","","0.1539","0.1084","","","0.2983","0.3195","","","","","","1.038","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108523","34.34","0.003","34.34","0.003","19.451","0.002","90","","90","","120","","19864","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C258 H384 N13.33 O129 P8 Zn15 -","- C168 H102 O69 P8 Zn15 -","- C504 H306 O207 P24 Zn45 -","3","0.166667","","Woo Ram Lee; Dae Won Ryu; Won Ju Phang; Ji Hye Park; Chang Seop Hong","Charge effect of foreign metal ions and the crystal growth process in hybridized metal-organic frameworks","Chem.Commun.","2012","48","","10847","","10.1039/c2cc35526d","","","0.71073","MoKα","","0.1529","0.0792","","","0.2103","0.2382","","","","","","0.882","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7108586","14.0075","0.0012","14.0075","0.0012","34.296","0.004","90","","90","","120","","5827.7","1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H39 B F12 P Si4 -","- C30 H39 B F12 P Si4 -","- C180 H234 B6 F72 P6 Si24 -","6","0.333333","","Katsuhiko Takeuchi; Douglas W. Stephan","Silyl-migrations in frustrated Lewis pair chemistry: reactions of (CH3)3Si)3P and B(C6F4H)3 with H2 and CO2","Chem.Commun.","2012","48","","11304","","10.1039/c2cc36470k","","","0.71073","MoKα","","0.0662","0.0567","","","0.1359","0.1461","","","","","","1.061","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108608","35.328","0.005","35.328","0.005","12.311","0.003","90","","90","","120","","13306","4","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H18 N6 O6 -","- C30 H18 N6 O6 -","- C540 H324 N108 O108 -","18","1","","De-Xian Wang; Shi-Xin Fa; Yang Liu; Bao-Yong Hou; Mei-Xiang Wang","Anion-directed assembly of a rectangular supramolecular cage in the solid state with electron-deficient phenoxylated oxacalix[2]arene[2]triazine","Chem.Commun.","2012","48","","11458","","10.1039/c2cc36465d","","","0.71073","MoKα","","0.09","0.0704","","","0.1557","0.1669","","","","","","1.178","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108793","26.9202","0.0006","26.9202","0.0006","34.3435","0.0014","90","","90","","120","","21554.2","1.1","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C41 H53 Cl2 F6 Ir2 N6 P -","- C41 H53 Cl2 F5 Ir2 N6 P0.833333 -","- C738 H954 Cl36 F90 Ir36 N108 P15 -","18","1","","Ramananda Maity; Arnab Rit; Christian Schulte to Brinke; Constantin G. Daniliuc; F. Ekkehardt Hahn","Metal center dependent coordination modes of a tricarbene ligand","Chem.Commun.","2012","49","","1011","","10.1039/c2cc37446c","","","0.71073","MoKα","","0.04","0.0298","","","0.0768","0.0798","","","","","","1.074","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108813","22.5771","0.0008","22.5771","0.0008","39.3024","0.0015","90","","90","","120","","17349.5","1.1","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","palladium-thallium carbonylphosphine hexafluorophosphate","tris(μ~3~-carbonyl)-hexakis(μ~2~-carbonyl)-hexakis (triphenylphosphine)-thallium-nona-palladium hexafluorophosphate tetrahydrofuran-methylenchloride solvate","","- C124.26 H104.52 Cl1.32 F6 O10.65 P7 Pd9 Tl -","- C124.26 H104.52 Cl1.32 F6.12 O10.65 P7.01 Pd9 Tl -","- C745.56 H627.12 Cl7.92 F36.72 O63.9 P42.06 Pd54 Tl6 -","6","0.333333","","Evgueni G. Mednikov; Lawrence F. Dahl","How innocent is thallium(I)? Corrected formulations of [Tl2Pd14(CO)9(PMe3)11][PF6]2 and [TlPd9(CO)9(PPh3)6][PF6] clusters previously reported as corresponding Au2Pd14 and AuPd9 clusters","Chemical communications (Cambridge, England)","2013","49","11","1085","1087","10.1039/c2cc37959g","","","0.71073","MoKα","","0.0739","0.0526","","","0.1311","0.1495","","","","","","1.029","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108869","31.864","0.005","31.864","0.005","12.846","0.003","90","","90","","120","","11295","4","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C138 H116 N6 O46 Zn6 -","- C138 H116.02 N6 O46 Zn6 -","- C414 H348.06 N18 O138 Zn18 -","3","0.166667","","Gui-lei Liu; Yong-jie Qin; Lei Jing; Gui-yuan Wei; Hui Li","Two novel MOF-74 analogs exhibiting unique luminescent selectivity","Chemical communications (Cambridge, England)","2013","49","17","1699","1701","10.1039/c2cc37140e","","","0.71073","MoKα","","0.074","0.0659","","","0.174","0.1809","","","","","","1.06","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108870","31.8565","0.0009","31.8565","0.0009","12.6269","0.0006","90","","90","","120","","11097.5","0.7","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H36 N2 O15 Zn2 -","- C47 H36 N2 O15.006 Zn2 -","- C423 H324 N18 O135.054 Zn18 -","9","0.5","","Gui-lei Liu; Yong-jie Qin; Lei Jing; Gui-yuan Wei; Hui Li","Two novel MOF-74 analogs exhibiting unique luminescent selectivity","Chemical communications (Cambridge, England)","2013","49","17","1699","1701","10.1039/c2cc37140e","","","0.71073","MoKα","","0.0829","0.0789","","","0.1844","0.187","","","","","","1.083","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7109273","34.4341","0.001","34.4341","0.001","11.4555","0.0004","90","","90","","120","","11763.1","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27.33 H26.33 Cl N2 O2 P4 -","- C27 H26 N2 O2 P4 -","- C486 H468 N36 O36 P72 -","18","1","","Caleb D. Martin; Cory M. Weinstein; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Exploring the reactivity of white phosphorus with electrophilic carbenes: synthesis of a P4 cage and P8 clusters","Chem.Commun.","2013","49","","4486","","10.1039/c3cc42041h","","","0.71073","MoKα","","0.109","0.0645","","","0.1355","0.1495","","","","","","1.077","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109348","20.4631","0.0002","20.4631","0.0002","16.2871","0.0011","90","","90","","120","","5906.3","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H108 O18 Zn12 -","- C54 H108 O18 Zn12 -","- C162 H324 O54 Zn36 -","3","0.166667","","Kamil Sokolowski; Wojciech Bury; Iwona Justyniak; Anna M. Cieslak; Malgorzata Wolska; Katarzyna Soltys; Igor Dziecielewski; Janusz Lewinski","Activation of CO2 by tBuZnOH species: efficient routes to novel nanomaterials based on zinc carbonates","Chem.Commun.","2013","49","","5271","","10.1039/c3cc41639a","","","0.71073","MoKα","","0.0515","0.0391","","","0.0786","0.0827","","","","","","1.04","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109503","32.5859","0.0019","32.5859","0.0019","13.4651","0.0016","90","","90","","120","","12382.3","1.8","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C80 H142 Cu12 Gd6 N20 O90 -","- C80.244 H96 Cu12 Gd6 N17.878 O67.878 -","- C240.732 H288 Cu36 Gd18 N53.634 O203.634 -","3","0.166667","","Jun-Liang Liu; Yan-Cong Chen; Quan-Wen Li; Silvia Gomez-Coca; Daniel Aravena; Eliseo Ruiz; Wei-Quan Lin; Ji-Dong Leng; Ming-Liang Tong","Two 3d-4f nanomagnets formed via a two-step in situ reaction of picolinaldehyde","Chem.Commun.","2013","49","","6549","","10.1039/c3cc43200a","","","0.71073","MoKα","","0.0912","0.0732","","","0.1472","0.1549","","","","","","1.009","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109872","16.1077","0.0007","16.1077","0.0007","68.397","0.004","90","","90","","120","","15368.6","1.3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H84 O2 Si8 W2 -","- C31 H84 O2 Si8 W2 -","- C372 H1008 O24 Si96 W24 -","12","0.666667","","Laurel A. Morton; Maozhong Miao; Tabitha M. Callaway; Tianniu Chen; Shu-Jian Chen; Albert A. Tuinman; Xianghua Yu; Zheng Lu; Zi-Ling Xue","Reactions of d0 tungsten alkylidyne complexes with O2 or H2O. Formation of an oxo siloxy complex through unusual silyl migrations","Chem.Commun.","2013","49","","9555","","10.1039/c3cc46014b","","","0.71073","MoKα","","0.0648","0.0306","","","0.0664","0.085","","","","","","0.877","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109873","33.5208","0.0019","33.5208","0.0019","24.994","0.003","90","","90","","120","","24322","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C228 H352 N96 Ni12 O42 W6 -","- C228 H351.98 N96 Ni12 O42 W6 -","- C684 H1055.94 N288 Ni36 O126 W18 -","3","0.166667","","Dao-Peng Zhang; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Water-controlled synthesis and single-crystal structural transformations of a cyanide-bridged W(IV)-Ni(II) molecular wheel complex and 3D networks","Chem.Commun.","2013","49","","9582","","10.1039/c3cc46063k","","","0.71073","MoKα","","0.0573","0.035","","","0.0896","0.1056","","","","","","1.1","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7110018","31.468","0.006","31.468","0.009","22.212","0.005","90","","90","","120","0.019","19048","9","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H49 Au N2 O3 -","- C31 H47 Au N2 O3 -","- C558 H846 Au18 N36 O54 -","18","1","","Alba Collado; Adrian Gomez-Suarez; Yoshihiro Oonishi; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis, characterisation, and oxygen atom transfer reactions involving the first gold(I)-alkylperoxo complexes","Chem.Commun.","2013","49","","10745","","10.1039/c3cc47030j","","","0.71075","MoKα","","","0.0916","","","","0.2501","","","","","","1.156","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110151","29","0.004","29","0.004","5.8505","0.0008","90","","90","","120","","4261.1","1","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_36%CO2","","","- C12.05 H10 O2.11 -","- C12.0533 H10 O2.10667 -","- C216.96 H180 O37.92 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.103","0.0522","","","0.1072","0.1278","","","","","","1.026","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110152","28.906","0.01","28.906","0.01","5.862","0.002","90","","90","","120","","4242","3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_73%CO2","","","- C12.12 H10 O2.24 -","- C12.1217 H10 O2.24333 -","- C218.19 H180 O40.38 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0897","0.05","","","0.1255","0.1473","","","","","","1.014","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110153","28.908","0.006","28.908","0.006","5.8899","0.0012","90","","90","","120","","4262.6","1.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_CO2","","","- C12.17 H10 O2.33 -","- C12.1667 H10 O2.33333 -","- C219 H180 O42 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0537","0.0393","","","0.1012","0.11","","","","","","1.032","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110154","29.0785","0.0018","29.0785","0.0018","5.854","0.0004","90","","90","","120","","4286.7","0.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_vac_100K","","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0577","0.043","","","0.1092","0.1194","","","","","","1.035","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110155","29.2571","0.0016","29.2571","0.0016","5.9378","0.0003","90","","90","","120","","4401.7","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","2_vac_293K","","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0966","0.0506","","","0.1192","0.1451","","","","","","0.999","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110204","25.2302","0.0007","25.2302","0.0007","10.3026","0.0006","90","","90","","120","","5679.6","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C270 H252 O36 -","18","1","","Kazuhiro Hata; Zhiheng He; Constantin Gabriel Daniliuc; Kenichiro Itami; Armido Studer","Synthesis of dihydrobenzo[b]furans by diastereoselective acyloxyarylation","Chem.Commun.","2014","50","","463","","10.1039/c3cc47350c","","","1.54178","CuKα","","0.0503","0.0411","","","0.0971","0.1031","","","","","","1.038","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110285","21.6325","0.0003","21.6325","0.0003","48.8452","0.0012","90","","90","","120","","19795.5","0.6","150","1","150","1","","","","","","","","10","R -3 :H","-R 3","148","","","","- C230 H180 F6 Ir6 N6 O12 P12 Re6 S2 Te8 -","- C228 H180 Ir6 N6 O6 P12 Re6 Te8 -","- C684 H540 Ir18 N18 O18 P36 Re18 Te24 -","3","0.166667","","Kim, Youngmee; Kim, Sehye; Kim, Sung-Jin; Lee, Myung Ki; Kim, Mieock; Lee, Hyungeui; Chin, Chong Shik","[Re6Te8(CN)6][{Ir(CO)(PPh3)2}6](OTf)2 : a new Re6 cluster-supported iridium(i) compound","Chemical Communications","2004","","15","1692","1693","10.1039/b403995e","","","0.71073","MoKα","","0.0861","0.0591","","","0.1839","0.2042","","","","","","1.371","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110317","16.54","0.006","16.54","0.006","5.432","0.003","90","","90","","120","","1286.9","1","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H6 N O3 -","- C9 H9 O3.527 -","- C54 H54 O21.162 -","6","0.333333","","Arulsamy, Navamoney; Bohle, D. Scott; Butikofer, Jeffrey L.; Stephens, Peter W.; Yee, Gordon T.","Spatiotemporal defined release of nitric oxide","Chemical Communications","2004","","16","1856","1857","10.1039/b404728a","","","0.71073","MoKα","","0.0382","0.0363","","","0.0945","0.0959","","","","","","1.055","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110444","32.4214","0.001","32.4214","0.001","73.249","0.003","90","","90","","120","","66680","4","183","2","183","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H872 Mo132 N42 Na30 O814 -","- C30 Mo132 O694 -","- C90 Mo396 O2082 -","3","0.166667","","Müller, Achim; Fedin, Vladimir P.; Kuhlmann, Christoph; Bögge, Hartmut; Schmidtmann, Marc","A hydrogen-bonded cluster with ‘onion-type’ structure, encapsulated and induced by a spherical cluster shell: [(H2O)n⊂ MoVI72MoV60O372(HCO2)30(H2O)72]42−","Chemical Communications","1999","","10","927","","10.1039/a809856e","","","0.71073","MoKα","","0.172","0.0784","","0.3061","0.2237","","","","0.992","1.132","1.132","","","","","has coordinates","190298","2020-10-21","18:00:00",""
"7110490","11.8154","0.0007","11.8154","0.0007","17.7571","0.0007","90","","90","","120","","2146.8","0.2","200","","","","","","","","","","","3","R -3 :H","-R 3","148","9-germanyltriptycene","tribenzobarellenegermane","","- C20 H16 Ge -","- C20 H16 Ge -","- C120 H96 Ge6 -","6","0.333333","","Brynda, Marcin; Geoffroy, Michel; Bernardinelli, Gérald","Air-stable crystalline primary phosphines and germanes: synthesis and crystal structures of dibenzobarellenephosphine and tribenzobarellenegermane","Chemical Communications","1999","","11","961","","10.1039/a901083a","","","1.54183","CuKα","","","0.086","","","","0.06","","","","","","5.835","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110491","11.7919","0.0007","11.7919","0.0007","17.5871","0.0008","90","","90","","120","","2117.8","0.2","170","","","","","","","","","","","2","R -3 :H","-R 3","148","9-methyltriptycene","tribenzobarellenemethane","","- C21 H16 -","- C21 H16 -","- C126 H96 -","6","0.333333","","Brynda, Marcin; Geoffroy, Michel; Bernardinelli, Gérald","Air-stable crystalline primary phosphines and germanes: synthesis and crystal structures of dibenzobarellenephosphine and tribenzobarellenegermane","Chemical Communications","1999","","11","961","","10.1039/a901083a","","","1.54183","CuKα","","","0.038","","","","0.036","","","","","","4.803","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110494","13.451","0.0008","13.451","0.0008","13.9408","0.0012","90","","90","","120","","2184.4","0.3","158","","158","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H26 O13 Si8 -","- C15.98 O13.02 Si8 -","- C47.94 O39.06 Si24 -","3","0.166667","","Feher, Frank J.; Wyndham, Kevin D.; Baldwin, Richard K.; Soulivong, Daravong; Ziller, Joseph W.; Lichtenhan, Joseph D.; Lichtenhan, Joseph D.","Methods for effecting monofunctionalization of (CH2CH)8Si8O12","Chemical Communications","1999","","14","1289","","10.1039/a901308c","","","0.71073","MoKα","","0.1122","0.0995","","","0.3092","0.3246","","","","","","1.05","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110549","22.7866","0.0012","22.7866","0.0012","12.8738","0.0009","90","","90","","120","","5788.9","0.6","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H84 Ag7 O12 P6 Se12.5 -","- C36 Ag6.994 O12 P6 Se12.497 -","- C108 Ag20.982 O36 P18 Se37.491 -","3","0.166667","","Liu, C. W.; Shang, Iu-Jie; Wang, Ju-Chung; Keng, Tai-Chiun","Metal dialkyl diselenophosphates:1 a rare example of co-crystallization with clusters, Ag8(μ8-Se)[Se2P(OPri)2]6 and Ag6[Se2P(OPri)2]6, superimposing in a trigonal lattice†","Chemical Communications","1999","","11","995","","10.1039/a902429h","","","0.71073","MoKα","","0.0446","0.0382","","0.0992","","0.0943","","","1.069","","","1.082","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110617","21.592","0.003","21.592","0.003","36.839","0.007","90","","90","","120","","14874","4","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","Ca7-Cluster-Dimer","","","- C54 H116 Ca7 I6.5 O21.5 -","- C54 H116 Ca7 I6.5 O21.5 -","- C324 H696 Ca42 I39 O129 -","6","0.333333","","Fromm, Katharina M.","Synthesis and crystal structure of Li[{Ca7(μ3-OH)8I6(thf)12}2(μ-I)]·3THF, a unique H-bound dimer of a Ca7-cluster on the way to sol‒gels","Chemical Communications","1999","","17","1659","","10.1039/a904560k","","","0.71073","MoKα","","0.1208","0.0668","","","0.1716","0.2057","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110719","14.423","0.0016","14.423","0.0016","50.468","0.008","90","","90","","120","","9092","2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C106.6 H163.2 Cl17.2 Na6 O6 -","- C106.58 H158 Cl17.18 Na6 O6 -","- C319.74 H474 Cl51.54 Na18 O18 -","3","0.166667","","Dinger, Maarten B.; Scott, Michael J.","Selective binding of substrates using sodium salts of linked C3 symmetric aryl oxides","Chemical Communications","1999","","24","2525","","10.1039/a907476g","","","0.71073","MoKα","","0.0755","0.0681","","","0.182","0.1928","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110848","30.603","0.002","30.603","0.002","46.202","0.005","90","","90","","120","","37473","5","220","2","220","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C193.5 H240.5 Cl22.5 N30 Ni13 O65 -","- C151 H169.5 Cl22.5 N30 Ni13 O48 -","- C906 H1017 Cl135 N180 Ni78 O288 -","6","0.333333","","Graham, Alasdair; Meier, Stephanie; Parsons, Simon; Winpenny, Richard E. P.","Changing cage structures through inter-ligand repulsions","Chemical Communications","2000","","10","811","","10.1039/b000385i","","","1.54184","CuKα","","0.1569","0.0794","","0.2245","0.1824","","","","0.886","1.161","1.161","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7110949","22.5232","0.0002","22.5232","0.0002","20.8835","0.0002","90","","90","","120","","9174.75","0.14","123","1","123","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H78 Ga6 O9 -","- C171 H198 Ga18 O20.166 -","- C1026 H1188 Ga108 O120.996 -","6","0.333333","","Nichols, Peter J.; Papadopoulos, Stavroula; Raston, Colin L.","Reaction of tris-arylgallium(iii) with water: biaryl coupling versus Ga‒C hydrolysis","Chemical Communications","2000","","14","1227","","10.1039/b002422h","","","0.7107","MoKα","","0.0611","0.0611","","0.0599","","0.0599","","","4.55","","","4.55","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110959","24.521","0.004","24.521","0.004","20.201","0.004","90","","90","","120","","10519","3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","(3-mesityl-1-(2-picolyl)-imidazolin-2-ylidene) palladium methyl bromide","","- C19 H22 Br N3 Pd -","- C19 H22 Br N3 Pd -","- C342 H396 Br18 N54 Pd18 -","18","1","","Tulloch, Arran A. D.; Danopoulos, Andreas A.; Cafferkey, Sean M.; Kleinhenz, Sven; Hursthouse, Michael B.; Tooze, Robert P.","Pyridine functionalised N-heterocyclic carbene complexes of palladium","Chemical Communications","2000","","14","1247","","10.1039/b002645j","","","0.71073","MoKα","","0.0636","0.0439","","","0.1072","0.1142","","","","","","1.066","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7111066","39.6517","0.0003","39.6517","0.0003","9.7469","0.0001","90","","90","","120","","13271.5","0.2","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H47 N3 Zr -","- C33 H47 N3 Zr -","- C594 H846 N54 Zr18 -","18","1","","Giesbrecht, Garth R.; Shafir, Alex; Arnold, John","Zirconium complexes of a tacn-derived amido ligand and ring-opening to form a new diamido-amino pincer","Chemical Communications","2000","","21","2135","","10.1039/b005675h","","","0.7107","MoKalpha","","0.0428","0.0236","","0.0315","0.028","","","","","1.008","1.008","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111261","28.453","0.005","28.453","0.005","10.024","0.003","90","","90","","120","","7028","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H44 O8 S0.44 -","- C26 H30 O7.94 S4 -","- C234 H270 O71.46 S36 -","9","0.5","","Purse, Byron W.; Shivanyuk, Alexander; Rebek, Julius","Resorcin[6]arene as a building block for tubular crystalline state architectures","Chemical Communications","2002","","22","2612","","10.1039/b208189j","","","0.71073","MoKα","","0.2173","0.1632","","","0.4352","0.4641","","","","","","1.494","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111262","24.7866","0.0017","24.7866","0.0017","9.7751","0.0009","90","","90","","120","","5201","0.7","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H96 O18 -","- C72 H96 O18 -","- C216 H288 O54 -","3","0.166667","","Purse, Byron W.; Shivanyuk, Alexander; Rebek, Julius","Resorcin[6]arene as a building block for tubular crystalline state architectures","Chemical Communications","2002","","22","2612","","10.1039/b208189j","","","0.71073","MoKα","","0.0579","0.0479","","","0.1194","0.1266","","","","","","1.045","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111278","15.8023","0.0011","15.8023","0.0011","34.803","0.002","90","","90","","120","","7526.4","0.9","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C80 H88 Br12 Mn8 N24 O4 -","- C79.92 H87.84 Br12 Mn8 N24 O3.98 -","- C239.76 H263.52 Br36 Mn24 N72 O11.94 -","3","0.166667","","Alvarez, Carmen Soria; Bond, Andrew D.; Cave, Dale; Mosquera, Marta E. G.; Harron, Eilís A.; Layfield, Richard A.; McPartlin, Mary; Rawson, Jeremy M.; Wood, Paul T.; Wright, Dominic S.","Syntheses and magnetic properties of hexanuclear [Cp2Mn3(L1)4]2 and octanuclear [Mn8(L2)12(μ4-O)2] (L1 = 2-HNC5H5N, L2 = 2-NH-3-Br-5-MeC5H3N, Cp = C5H5)","Chemical Communications","2002","","24","2980","2981","10.1039/b209496g","","","0.71073","MoKα","","0.0948","0.0547","","","0.1092","0.1267","","","","","","1.034","","","","has coordinates,has disorder","180226","2020-10-21","18:00:00",""
"7111378","23.7142","0.0016","23.7142","0.0016","38.246","0.005","90","","90","","120","","18627","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H348 Mn12 N48 O60 -","- C216.036 H186 Mn12 N48 O60.012 -","- C648.108 H558 Mn36 N144 O180.036 -","3","0.166667","","John, Rohith P.; Lee, Kyungjae; Lah, Myoung Soo","Novel 36-membered dodecanuclear manganese metalladiazamacrocycle","Chemical Communications","2004","","23","2660","2661","10.1039/b407668k","","","0.71073","MoKα","","0.1229","0.0591","","","0.149","0.1744","","","","","","0.936","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111384","32.8976","0.0008","32.8976","0.0008","74.076","0.003","90","","90","","120","","69428","4","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H934 Mo132 N77 O844 Pr7 S30 -","- C20 Mo132 N40.2 O799 Pr4.082 S30 -","- C60 Mo396 N120.6 O2397 Pr12.246 S90 -","3","0.166667","","Müller, Achim; Zhou, Yunshan; Zhang, Lijuan; Bögge, Hartmut; Schmidtmann, Marc; Dressel, Martin; van Slageren, Joris","En route to coordination chemistry under confined conditions in a porous capsule: Pr3+ with different coordination shells","Chemical Communications","2004","","18","2038","2039","10.1039/b407753a","","","0.71073","MoKα","","0.0643","0.046","","","0.1328","0.1537","","","","","","1.115","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111425","29.477","0.003","29.477","0.003","22.178","0.004","90","","90","","120","","16689","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C154 H220 N6 Ni32 O56 Pt24 -","- C153.98 H219.96 N6 Ni32.04 O56 Pt24.002 -","- C461.94 H659.88 N18 Ni96.12 O168 Pt72.006 -","3","0.166667","","Femoni, Cristina; Iapalucci, M. Carmela; Longoni, Giuliano; Svensson, Per H.","New high-nuclearity Ni?Pt carbonyl clusters: synthesis and X-ray structure of the ordered [HNi24Pt17(CO)46]5? and the substitutionally Ni/Pt disordered [Ni32Pt24(CO)56]6? cluster anions","Chemical Communications","2004","","20","2274","2275","10.1039/b409522g","","","0.71073","MoKα","","0.2363","0.0655","","","0.1613","0.2012","","","","","","0.81","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111427","25.283","0.017","25.283","0.017","10.962","0.011","90","","90","","120","","6068","8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23.33 H30 Fe N10.67 S2 -","- C23.3267 H30.04 Fe N10.66 S2 -","- C209.94 H270.36 Fe9 N95.94 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.1016","0.0574","","","0.1323","0.1674","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111428","25.2831","0.0014","25.2831","0.0014","10.9463","0.0013","90","","90","","120","","6059.8","0.9","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H28 Fe N10 S2 -","- C22 H28 Fe N10 S2 -","- C198 H252 Fe9 N90 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.0822","0.0421","","","0.0851","0.1008","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111429","25.3021","0.0014","25.3021","0.0014","10.9672","0.0013","90","","90","","120","","6080.5","0.9","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.55 H28.82 Fe N10.27 S2 -","- C22.5487 H28.8244 Fe N10.274 S2 -","- C202.938 H259.42 Fe9 N92.466 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.0699","0.0369","","","0.0714","0.0858","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111430","25.39","0.005","25.39","0.005","10.986","0.005","90","0.005","90","0.005","120","0.005","6133","3","375","2","375","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.8 H29.2 Fe N10.4 S2 -","- C22.8033 H29.2 Fe N10.402 S2 -","- C205.23 H262.8 Fe9 N93.618 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71069","MoKα","","0.1513","0.0695","","","0.1061","0.1358","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111431","25.501","0.002","25.501","0.002","11.0385","0.0018","90","","90","","120","","6216.6","1.2","375","2","375","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.66 H29 Fe N10.33 S2 -","- C22.664 H28.996 Fe N10.332 S2 -","- C203.976 H260.964 Fe9 N92.988 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.1365","0.0592","","","0.1031","0.138","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111432","25.4548","0.0018","25.4548","0.0018","11.0215","0.0015","90","","90","","120","","6184.6","1","375","2","375","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.59 H28.88 Fe N10.29 S2 -","- C22.5873 H28.876 Fe N10.294 S2 -","- C203.286 H259.884 Fe9 N92.646 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.1275","0.056","","","0.1006","0.1356","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111738","36.4925","0.0004","36.4925","0.0004","16.5404","0.0003","90","","90","","120","","19075.8","0.5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39.17 H51.33 Cl0.33 N5 O14 -","- C39.17 H51.34 Cl0.34 N5 O14 -","- C705.06 H924.12 Cl6.12 N90 O252 -","18","1","","Cao, Li-Ping; Meng, Xiang-Gao; Ding, Jiao-Yang; Chen, Yun-Feng; Gao, Meng; Wu, Yan-Dong; Li, Yi-Tao; Wu, An-Xin; Isaacs, Lyle","Nanotubular non-covalent macrocycle within non-covalent macrocycle assembly: (MeOH)12 encapsulated in a molecular clip cyclododecamer","Chemical Communications","2010","46","25","4508","4510","10.1039/c0cc00677g","","","0.71073","MoKα","","0.1128","0.0769","","","0.2046","0.2262","","","","","","0.971","","","","has coordinates,has disorder","180231","2020-10-21","18:00:00",""
"7111842","31.7325","0.0008","31.7325","0.0008","13.6585","0.0007","90","","90","","120","","11910.8","0.7","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H186 Cu6 N30 O36 -","- C144 H186 Cu6 N30 O36 -","- C432 H558 Cu18 N90 O108 -","3","0.166667","","Gareth O. Lloyd; Jonathan W. Steed","Supramolecular assembly in a Janus-type urea system","Chem.Commun.","2014","50","","1426","","10.1039/c3cc48603f","","","0.71073","MoKα","","0.1489","0.053","","","0.114","0.1434","","","","","","0.811","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112141","26.497","0.003","26.497","0.003","12.1761","0.0019","90","","90","","120","","7403.3","1.5","165","2","165","2","","","","","","","","7","R -3 :H","-R 3","148","Tugsten sulfide cyano cluster","hexa sodium octakis(mu!3$-sulfido)-hexakis(cyano)-hexa-tungsten-octadecakis(dimethylsulfide)solvate","","- C42 H108 N6 Na6 O18 S26 W6 -","- C42.012 H108.036 N6 Na6 O18.006 S26.006 W6 -","- C126.036 H324.108 N18 Na18 O54.018 S78.018 W18 -","3","0.166667","","Jin, Song; DiSalvo, Francis J.","Novel octahedral tungsten sulfidocyanide cluster anion [W6S8(CN)6]6‒","Chemical Communications","2001","","17","1586","1587","10.1039/b104161b","","","0.71073","MoKα","","0.0314","0.0249","","","0.0563","0.0576","","","","","","1.572","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112192","36.2356","","36.2356","","11.6336","","90","","90","","120","","13228.7","","95","","95","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C247 H195 Cl3 N12 -","- C246.998 H180 Cl3 N12 -","- C740.994 H540 Cl9 N36 -","3","0.166667","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.7107","MoKα","","","0.0573","","","","0.0985","","","","","","1.052","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112748","15.906","0.003","15.906","0.003","10.6715","0.0017","90","","90","","120","","2338.2","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H38 B2 Co N18 O12 -","- C12 H38 B2 Co N18 O12 -","- C36 H114 B6 Co3 N54 O36 -","3","0.166667","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0391","0.0269","","","0.0585","0.0648","","","","","","1.066","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112749","15.8445","0.0013","15.8445","0.0013","10.5951","0.0009","90","","90","","120","","2303.5","0.3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H38 B2 Fe N18 O12 -","- C12 H38 B2 Fe N18 O12 -","- C36 H114 B6 Fe3 N54 O36 -","3","0.166667","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0311","0.0274","","","0.0672","0.0691","","","","","","1.063","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112750","15.9039","0.0008","15.9039","0.0008","10.6402","0.0006","90","","90","","120","","2330.7","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H38 B2 N18 Ni O12 -","- C12 H38 B2 N18 Ni O12 -","- C36 H114 B6 N54 Ni3 O36 -","3","0.166667","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0254","0.0249","","","0.1082","0.1088","","","","","","1.029","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112805","27.0553","0.0015","27.0553","0.0015","63.159","0.004","90","","90","","120","","40038","4","185","2","185","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C126 H222 Cu24 N144 O321 S36 Si8 W96 -","- C126 H216 Cu24 N144 O321 S36 Si8 W96 -","- C378 H648 Cu72 N432 O963 S108 Si24 W288 -","3","0.166667","","Wang, Xiuli; Hu, Hailiang; Liu, Guocheng; Lin, Hongyan; Tian, Aixiang","Self-assembly of nanometre-scale metallacalix[4]arene building blocks and Keggin units to a novel (3,4)-connected 3D self-penetrating framework.","Chemical communications (Cambridge, England)","2010","46","35","6485","6487","10.1039/c0cc01412e","","","0.71073","MoKα","","0.0532","0.0384","","","0.081","0.0853","","","","","","1.061","","","","has coordinates,has disorder","180242","2020-10-21","18:00:00",""
"7112928","26.8078","0.0012","26.8078","0.0012","10.8706","0.001","90","","90","","120","","6765.6","0.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrachloride clathrate","","","- C109 H120 Cl4 O12 -","- C109 H120 Cl4 O12 -","- C327 H360 Cl12 O36 -","3","0.166667","","Jacobs, Tia; Bredenkamp, Martin W.; Neethling, Pieter H.; Rohwer, Erich G.; Barbour, Leonard J.","Templated polar order of a guest in a quasiracemic organic host.","Chemical communications (Cambridge, England)","2010","46","44","8341","8343","10.1039/c0cc02695f","","","0.71073","MoKα","","0.0655","0.0515","","","0.1288","0.1357","","","","","","1.037","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112929","26.632","0.0019","26.632","0.0019","12.0349","0.0017","90","","90","","120","","7392.3","1.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","4-<i>p</i>-Mercaptophenyl-2,2,4-Trimethylchroman carbon tetrachloride clathrate","","- C110 H120 Cl8 O6 S6 -","- C110 H120 Cl8 O6 S6 -","- C330 H360 Cl24 O18 S18 -","3","0.166667","","Jacobs, Tia; Bredenkamp, Martin W.; Neethling, Pieter H.; Rohwer, Erich G.; Barbour, Leonard J.","Templated polar order of a guest in a quasiracemic organic host.","Chemical communications (Cambridge, England)","2010","46","44","8341","8343","10.1039/c0cc02695f","","","0.71073","MoKα","","0.0738","0.0651","","","0.1855","0.1919","","","","","","1.063","","","","has coordinates,has disorder","194623","2020-10-21","18:00:00",""
"7112984","28.1842","0.0003","28.1842","0.0003","46.3608","0.0006","90","","90","","120","","31892.8","0.6","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C285 H345 Cl51 Co24 N36 O38 S24 -","- C281.96 H333.96 Cl41.88 Co24 N36 O38 S24 -","- C845.88 H1001.88 Cl125.64 Co72 N108 O114 S72 -","3","0.166667","","Bi, Yanfeng; Xu, Guancheng; Liao, Wuping; Du, Shangchao; Wang, Xinwu; Deng, Ruiping; Zhang, Hongjie; Gao, Song","Making a [Co24] metallamacrocycle from the shuttlecock-like tetranuclear cobalt-calixarene building blocks.","Chemical communications (Cambridge, England)","2010","46","34","6362","6364","10.1039/c0cc01844a","","","0.71073","MoKα","","0.0833","0.0656","","","0.2024","0.2142","","","","","","1.006","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7113017","19.264","0.003","19.264","0.003","23.188","0.005","90","","90","","120","","7452","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C116 H116 N6 O18 -","- C116 H116 N6 O18 -","- C348 H348 N18 O54 -","3","0.166667","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Design and construction of an organic crystal with a novel interpenetrated n-Borromean linked topology.","Chemical communications (Cambridge, England)","2010","46","34","6299","6301","10.1039/c0cc01491e","","","0.71073","MoKα","","0.0862","0.081","","","0.2037","0.208","","","","","","1.196","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113404","48.415","0.001","48.415","0.001","10.6278","0.0002","90","","90","","120","","21574.2","0.7","120","1","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H47 Gd N8 O9 -","- C45 H44 Gd N8 O9 -","- C810 H792 Gd18 N144 O162 -","18","1","","Sénéchal, Katell; Toupet, Loïc; Ledoux, Isabelle; Zyss, Joseph; Le Bozec, Hubert; Maury, Olivier","First lanthanide dipolar complexes for second-order nonlinear optics.","Chemical communications (Cambridge, England)","2004","","19","2180","2181","10.1039/b407073a","","","0.71069","MoKα","","0.183","0.0944","","","0.2424","0.3029","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7113413","21.217","0.003","21.217","0.003","35.704","0.005","90","","90","","120","","13919","3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C131 H214.8 Br9.2 Mn19 N6 O71.8 -","- C120 H138.8 Br9.2004 Mn19 N6 O60.8002 -","- C360 H416.4 Br27.6012 Mn57 N18 O182.401 -","3","0.166667","","Ayuk M. Ako; Yanhua Lan; Oliver Hampe; Eduard Cremades; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction","Chem.Commun.","2014","50","","5847","","10.1039/C4CC01264J","","","0.8","synchrotron","","0.0833","0.0632","","","0.1837","0.2013","","","","","","1.084","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7114120","22.954","0.001","22.954","0.001","24.968","0.001","90","","90","","120","","11392.8","0.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C56 H67.33 N6 O0.67 -","- C56 H67.3467 N6 O0.666667 -","- C504 H606.12 N54 O6 -","9","0.5","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71073","MoKα","","0.1828","0.0864","","","0.2335","0.2743","","","","","","1.018","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114121","23.75","0.03","23.75","0.03","24.2","0.03","90","","90","","120","","11822","3","293","2","293","2","","","","","","","see text","5","R -3 :H","-R 3","148","TRIMER","1,1,3,3,5,5-meso-hexamethyl-2,2,4,4,6,6-meso-hexaphenyl-calix[6]pyrrole","","- C27.67 H28 Cl0.67 N2 O -","- C27.6667 H28 Cl0.663333 N2 O -","- C498 H504 Cl11.94 N36 O18 -","18","1","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71069","MoKα","","0.2152","0.0922","","0.2402","0.1807","","","","1.089","1.357","1.357","","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114122","23.517","0.001","23.517","0.001","24.148","0.001","90","","90","","120","","11565.8","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C76.5 H70 Cl9.5 N6.5 O1.5 -","- C77.52 H70.02 Cl9.5 N7.5 O1.52 -","- C465.12 H420.12 Cl57 N45 O9.12 -","6","0.333333","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71073","MoKα","","0.1464","0.0989","","","0.2322","0.2571","","","","","","1.079","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114123","22.586","0.0006","22.586","0.0008","24.556","0.0008","90","0.003","90","0.004","120","0.001","10848.4","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C76 H78 N6 O4 -","- C76 H77.97 N6 O3.99 -","- C456 H467.82 N36 O23.94 -","6","0.333333","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71073","MoKα","","0.1365","0.0806","","","0.1774","0.2031","","","","","","1.112","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114124","23.3603","0.0013","23.3603","0.0013","24.217","0.0017","90","","90","","120","","11444.8","1.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C76.5 H69 Cl9 N6.5 O1.5 -","- C77.02 H71.55 Cl9 N6.5 O2.02 -","- C462.12 H429.3 Cl54 N39 O12.12 -","6","0.333333","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71073","MoKα","","0.1226","0.101","","","0.2664","0.2829","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114125","23.51","0.001","23.51","0.001","24.122","0.002","90","","90","","120","","11546.5","1.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C77 H71.5 Cl9 N6.5 O2 -","- C77.02 H71.55 Cl9 N6.5 O2.02 -","- C462.12 H429.3 Cl54 N39 O12.12 -","6","0.333333","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71073","MoKα","","0.1511","0.0966","","","0.2504","0.2836","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114127","23.756","0.001","23.756","0.001","24.078","0.001","90","","90","","120","","11767.9","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C162 H168 N12 O8 -","- C162 H168 N12 O12 -","- C486 H504 N36 O36 -","3","0.166667","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71073","MoKα","","0.2348","0.1091","","","0.2614","0.3101","","","","","","1.031","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114128","23.422","0.005","23.422","","24.103","0.006","90","","90","","120","","11451","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C150 H138 Cl18 N12 O10 -","- C150 H138 Cl18 N12 O10 -","- C450 H414 Cl54 N36 O30 -","3","0.166667","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Botoshansky, Mark; Suwinska, Kinga; Eichen, Yoav","Self-assembled calix[6]pyrrole capsules: solid-state encapsulation of different guests in preorganized calix[6]pyrrole capsules","Chemical Communications","2002","","7","726","","10.1039/b111281n","","","0.71073","MoKα","","0.1579","0.0929","","","0.1998","0.2354","","","","","","1.048","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114253","14.8927","0.0004","14.8927","0.0004","16.0178","0.0006","90","","90","","120","","3076.67","0.16","173","2","173","2","","","","","","","synthesized by authors","6","R -3 :H","-R 3","148","","","","- C30 H72 Li6 N8 P2 Si2 -","- C30 H72 Li6 N8 P2 Si2 -","- C90 H216 Li18 N24 P6 Si6 -","3","0.166667","","Armstrong, Andrea; Chivers, Tristram; Krahn, Mark; Parvez, Masood; Schatte, Gabriele","Syntheses and structures of an unsolvated tetrakisimidophosphate {Li3[P(NBut)3(NSiMe3)]}2 and the face-sharing double-cubane {Li2(THF)[P(O)(NBut)2(NHBut)]}2","Chemical Communications","2002","","20","2332","","10.1039/b207197e","","","0.71069","MoKα","","0.0501","0.0384","","","0.1138","0.1215","","","","","","1.022","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7114254","14.795","0.0004","14.795","0.0004","16.3978","0.0004","90","","90","","120","","3108.47","0.14","173","2","173","2","","","","","","","synthesized by authors","5","R -3 :H","-R 3","148","","","","- C15 H39 N4 P Si -","- C15 H39 N4 P Si -","- C90 H234 N24 P6 Si6 -","6","0.333333","","Armstrong, Andrea; Chivers, Tristram; Krahn, Mark; Parvez, Masood; Schatte, Gabriele","Syntheses and structures of an unsolvated tetrakisimidophosphate {Li3[P(NBut)3(NSiMe3)]}2 and the face-sharing double-cubane {Li2(THF)[P(O)(NBut)2(NHBut)]}2","Chemical Communications","2002","","20","2332","","10.1039/b207197e","","","0.71073","MoKα","","0.045","0.0361","","","0.1025","0.1075","","","","","","1.098","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114290","34.132","0.003","34.132","0.003","8.694","0.001","90","","90","","120","","8771.5","1.5","300","2","300","2","","","","","","","synthesis as described -# -#","4","R -3 :H","-R 3","148","Platinum-compound","","","- C25 H18 N2 Pt -","- C25 H18 N2 Pt -","- C450 H324 N36 Pt18 -","18","1","","Lu, Wei; Mi, Bao-Xiu; Chan, Michael C. W.; Hui, Zheng; Zhu, Nianyong; Lee, Shuit-Tong; Che, Chi-Ming","[(C⁁N⁁N)Pt(CC)nR] (HC⁁N⁁N = 6-aryl-2,2′-bipyridine, n = 1‒4, R = aryl, SiMe3) as a new class of light-emitting materials and their applications in electrophosphorescent devicesElectronic supplementary information (ESI) available: General experimental procedure, analytical and spectral characterizations, OLED fabrication and performance. See http://www.rsc.org/suppdata/cc/b1/b108793b/","Chemical Communications","2002","","3","206","","10.1039/b108793b","","x-ray","0.71073","MoKα","","0.0552","0.0356","","","0.095","0.1154","","","","","","1.077","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114533","14.195","0.002","14.195","0.002","20.941","0.005","90","","90","","120","","3654.3","1.1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","2,4,6-Tris-(4-nitrophenoxy)-1,3,5-triazine, Benzene solvate","","- C48 H30 N12 O18 -","- C48 H27 N12 O18 -","- C144 H81 N36 O54 -","3","0.166667","","Jetti, Ram K. R.; Thallapally, Praveen K.; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C. W.","2,4,6-Tris(4-nitrophenoxy)-1,3,5-triazine: a hexagonal host framework stabilised by the NO2-trimer supramolecular synthon","Chemical Communications","2002","","9","952","","10.1039/b200152g","","","0.71073","MoKα","","0.2345","0.1519","","","0.3102","0.3574","","","","","","1.873","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114535","14.66","0.0008","14.66","0.0008","20.2098","0.0016","90","","90","","120","","3761.5","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","2,4,6-Tris-(4-nitrophenoxy)-1,3,5-triazine, Hexachlorobenzene solvate","","- C27 H12 Cl6 N6 O9 -","- C48 H24 Cl6 N12 O18 -","- C144 H72 Cl18 N36 O54 -","3","0.166667","","Jetti, Ram K. R.; Thallapally, Praveen K.; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C. W.","2,4,6-Tris(4-nitrophenoxy)-1,3,5-triazine: a hexagonal host framework stabilised by the NO2-trimer supramolecular synthon","Chemical Communications","2002","","9","952","","10.1039/b200152g","","","0.71073","MoKα","","0.0575","0.0478","","","0.1453","0.1541","","","","","","1.094","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7114714","34.84","0.02","34.84","0.02","24.04","0.03","90","","90","","120","","25271","4","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","C-isobutylpyrogallol[4]arene . 4(MeOH)","","","- C48 H72 O16 -","- C44 H44 O12 -","- C792 H792 O216 -","18","1","","Atwood, Jerry L.; Barbour, Leonard J.; Jerga, Agoston","Hydrogen-bonded molecular capsules are stable in polar media","Chemical Communications","2001","","22","2376","","10.1039/b106250f","","","0.71073","MoKα","","0.2604","0.1482","","","0.3622","0.4166","","","","","","0.967","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114737","29.33","0.001","29.33","0.001","18.879","0.001","90","","90","","120","","14064.8","1","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","trans-bis(1,3-dimesityl-imidazol-2-ylidine)dichlorodioxouranium(VI)","","- C66 H96 Cl2 N4 O8 U -","- C42 H48 Cl2 N4 O2 U -","- C378 H432 Cl18 N36 O18 U9 -","9","0.5","","Oldham Jr., Warren J.; Oldham, Susan M.; Smith, Wayne H.; Costa, David A.; Scott, Brian L.; Abney, Kent D.","Synthesis and structure of N-heterocyclic carbene complexes of uranyl dichloride","Chemical Communications","2001","","15","1348","","10.1039/b102649f","","","0.71073","MoKα","","0.0848","0.0656","","","0.1311","0.1374","","","","","","1.147","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114955","22.563","0.002","22.563","0.002","23.803","0.001","90","","90","","120","","10494.4","1.4","230","2","230","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C51 H99 Cl Li N15 P6 -","- C51 H99 Cl Li N15 P6 -","- C306 H594 Cl6 Li6 N90 P36 -","6","0.333333","","Bond, Andrew D.; Doyle, Emma L.; Kidd, Sara J.; Woods, Anthony D.; Wright, Dominic S.","Cooperative cation and anion coordination by a bifunctional imidophosphorane ligand framework; syntheses and structures of [LiCl{ButNHP(μ-NBut)2PNH(2-py)}3] and [{ButNP(μ-NBut)2PN(2-py)} Li2·{Li(ButN)2P}]","Chemical Communications","2001","","8","777","","10.1039/b010093p","","","0.71069","MoKα","","0.1816","0.0655","","","0.1353","0.1763","","","","","","1.01","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00",""
"7115120","34.5455","0.0006","34.5455","0.0006","16.7221","0.0002","90","","90","","120","","17282.4","0.5","293","2","293","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","sep699","","","- C18 H36 Cl2 P4 Pt Se4 -","- C18 H36 Cl2 P4 Pt Se4 -","- C324 H648 Cl36 P72 Pt18 Se72 -","18","1","","Hitchcock, Peter B.; Nixon, John F.; Sakarya, Nurgün","Syntheses of the novel cage compounds P3Se3C3But3 and P3Se4C3But3 and an unusual insertion reaction of [PtCl2(PMe3)] into the Se‒Se bond of the latter to give the six-coordinate Pt(iv) complex [PtCl2(PMe3)P3Se4C3But3]","Chemical Communications","2000","","18","1745","","10.1039/b005123n","","x-ray","0.71073","MoKα","","0.0692","0.0386","","","0.0825","0.095","","","","","","1.036","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115158","32.223","0.0019","32.223","0.0019","20.8273","0.0018","90","","90","","120","","18728","2","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C51 H30 Ag3 Cl6 N14.92 O12 -","- C51 H30 Ag3 Cl6 N14.99 O12 -","- C612 H360 Ag36 Cl72 N179.88 O144 -","12","0.666667","","Bu, Xian-He; Tanaka, Kentaro; Shionoya, Mitsuhiko; Biradha, Kumar; Yamaguchi, Tadashi; Nishimura, Mayumi; Ito, Tasuku","A novel polymeric AgI complex consisting of two three-dimensional networks which are enantiometric and interpenetrating","Chemical Communications","2000","","19","1953","","10.1039/b003183f","","","0.71073","MoKα","","0.1764","0.0848","","","0.2331","0.264","","","","","","1.369","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115252","23.372","0.004","23.372","0.004","42.956","0.008","90","","90","","120","","20321","6","220","2","220","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H61.5 N3 O6.75 P6 Tb -","- C72 H60 N3 O6.75 P6 Tb -","- C864 H720 N36 O81 P72 Tb12 -","12","0.666667","","Magennis, Steven W.; Parsons, Simon; Pikramenou, Zoe; Corval, Anne; Derek Woollins, J.","Imidodiphosphinate ligands as antenna units in luminescent lanthanide complexes","Chemical Communications","1999","","1","61","","10.1039/a808046a","","","0.71073","MoKα","","0.0965","0.0624","","","0.1492","0.1744","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115330","19.8098","0.0006","19.8098","0.0006","14.692","0.0005","90","","90","","120","","4993.1","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7.5 H15 N0.75 O0.75 Zn0.75 -","- C7.5 H15 N0.75 O0.75 Zn0.75 -","- C180 H360 N18 O18 Zn18 -","24","1.33333","","Phillip Jochmann; Douglas W. Stephan","The synthesis and structure of [Zn(TEMPO)2]2 and [Zn(mu-H)(mu^2^-mu^1^:mu^1^-TEMPO)]6","Chem.Commun.","2014","50","","8395","","10.1039/C4cc03256J","","","0.71073","MoKα","","0.0313","0.0288","","","0.0768","0.0778","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115341","14.997","0.003","14.997","0.003","52.244","0.016","90","","90","","120","","10176","4","113.15","","113.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H47.5 Co7 N2.5 O29 -","- C47.94 H6 Co7 O25.02 -","- C287.64 H36 Co42 O150.12 -","6","0.333333","","Ya-Min Li; Hui-Jie Lun; Chang-Yu Xiao; Yan-Qing Xu; Ling Wu; Jing-He Yang; Jing-Yang Niu; Sheng-Chang Xiang","A bilayer triangular lattice with crown-like Co7 spin cluster SBUs exhibiting high spin frustration","Chem.Commun.","2014","50","","8558","","10.1039/C4cc02910K","","","0.71073","MoKα","","0.0672","0.065","","","0.1912","0.1941","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115397","22.059","0.005","22.059","0.005","14.679","0.003","90","","90","","120","","6186","2","296","","296","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12.33333 H14.33333 Cl N2 O S -","- C12.3333 H14.3333 Cl N2 O S -","- C222 H258 Cl18 N36 O18 S18 -","18","1","","Hideo Ikota; Takayuki Ishida; Chihiro Tsukano; Yoshiji Takemoto","Synthesis of 3,3-disubstituted indoline-2-thiones catalysed by an N-heterocyclic carbene","Chem.Commun.","2014","50","","8871","","10.1039/C4cc04047C","","","0.71075","MoKα","","","0.0918","","","","0.2761","","","","","","1.049","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115708","22.261","","22.261","","47.421","","90","","90","","120","","20351.2","","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C180 H270 Ag55 Mo6 O60 -","- C180 H270 Ag55 Mo6 O60 -","- C540 H810 Ag165 Mo18 O180 -","3","0.166667","","Kun Zhou; Yun Geng; Li-Kai Yan; Xin-Long Wang; Xian-Chun Liu; Guo-Gang Shan; Kui-Zhan Shao; Zhong-Min Su; Ying-Ning Yu","An ultrastable {Ag55Mo6} nanocluster with a Ag-centered multishell structure","Chem.Commun.","2014","50","","11934","","10.1039/C4cc05893C","","","0.71073","MoKα","","0.0803","0.0592","","","0.1633","0.1753","","","","","","1.054","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115720","27.371","0.003","27.371","0.003","10.3756","0.0012","90","","90","","120","","6731.7","1.3","296","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","organometallic complex","","- C26 H30 N4 O10 Pd3 -","- C26 H30 N4 O10 Pd3 -","- C234 H270 N36 O90 Pd27 -","9","0.5","","Sandeep Pimparkar; Masilamani Jeganmohan","Palladium-catalyzed cyclization of benzamides with arynes: application to the synthesis of phenaglydon and N-methylcrinasiadine","Chem.Commun.","2014","50","","12116","","10.1039/C4cc05252H","","","0.71073","MoKα","","0.0438","0.0347","","","0.1176","0.1287","","","","","","1.053","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115960","18.569","0.003","18.569","0.003","40.907","0.008","90","","90","","120","","12215","4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H8 Cu N2 O6 -","- C14 H8 Cu N2 O6 -","- C252 H144 Cu18 N36 O108 -","18","1","","Ying Xiong; Yan-Zhong Fan; Rui Yang; Sha Chen; Mei Pan; Ji-Jun Jiang; Cheng-Yong Su","Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation","Chem.Commun.","2014","50","","14631","","10.1039/C4cc06697A","","","1.54178","CuKα","","0.1096","0.0761","","","0.2375","0.2652","","","","","","0.999","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115961","18.9171","0.0015","18.9171","0.0015","37.995","0.005","90","","90","","120","","11775","2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C252 H144 Cu18 N36 O90 -","18","1","","Ying Xiong; Yan-Zhong Fan; Rui Yang; Sha Chen; Mei Pan; Ji-Jun Jiang; Cheng-Yong Su","Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation","Chem.Commun.","2014","50","","14631","","10.1039/C4cc06697A","","","1.54178","CuKα","","0.1023","0.0895","","","0.2516","0.2704","","","","","","1.039","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115981","60.6741","0.0015","60.6741","","5.12775","0.00027","90","","90","","120","","16348","1","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","UPG-1","","- C48 N6 O28 P6 Zr -","- C48 N6 O28 P6 Zr -","- C432 N54 O252 P54 Zr9 -","9","0.5","","Marco Taddei; Ferdinando Costantino; Fabio Marmottini; Angiolina Comotti; Piero Sozzani; Riccardo Vivani","The first route to highly stable crystalline microporous zirconium phosphonate metal-organic frameworks","Chem.Commun.","2014","50","","14831","","10.1039/C4cc06223J","powder diffraction","x-ray","1.5406","Kα","","","","","","","","0.10976","","5.17","","","","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116140","17.6479","0.0013","17.6479","0.0013","31.002","0.002","90","","90","","120","","8361.9","1","106.8","0.5","106.8","0.5","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H71 Eu N3 O29.5 S -","- C42 H33 Eu N3 O11.97 S0.99 -","- C252 H198 Eu6 N18 O71.82 S5.94 -","6","0.333333","","Jian-Ke Sun; Cheng Chen; Li-Xuan Cai; Cai-Xia Ren; Bin Tan; Jie Zhang","Mechanical grinding of a single-crystalline metal-organic framework triggered emission with tunable violet-to-orange luminescence","Chem.Commun.","2014","50","","15956","","10.1039/C4cc08316D","","","0.71073","MoKα","","0.1333","0.0981","","","0.2244","0.243","","","","","","1.09","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116424","34.6494","0.0007","34.6494","0.0007","16.6624","0.0004","90","","90","","120","","17324.5","0.6","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","Compound3a","","- C40.67 H53.33 N5 O4.17 Rh -","- C40.6668 H53.3336 N5 O4.1667 Rh -","- C732.002 H960.005 N90 O75.0006 Rh18 -","18","1","","Eva Jurgens; Barbara Wucher; Frank Rominger; Karl W. Tornroos; Doris Kunz","Selective rearrangement of terminal epoxides into methylketones catalysed by a nucleophilic rhodium-NHC-pincer complex","Chem.Commun.","2015","51","","1897","","10.1039/C4cc07154A","","","0.71073","MoKα","","0.1427","0.1148","","","0.2441","0.258","","","","","","1.186","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7117181","25.9051","0.0015","25.9051","0.0015","20.4603","0.0016","90","","90","","120","","11890.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H44 Cu7 I8 N8 -","- C24 H44 Cu7 I8 N8 -","- C216 H396 Cu63 I72 N72 -","9","0.5","","Yao Kang; Wei-Hui Fang; Lei Zhang; Jian Zhang","A structure-directing method to prepare semiconductive zeolitic cluster-organic frameworks with Cu3I4 building units","Chem.Commun.","2015","51","","8994","","10.1039/C5cc02598B","","","0.71073","MoKα","","0.107","0.0631","","","0.1478","0.1676","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117290","13.896","0.003","13.896","0.003","20.034","0.004","90","","90","","120","","3350.3","1.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C42 H42 P6 -","- C42 H42 P6 -","- C126 H126 P18 -","3","0.166667","","Heidi Schneider; David Schmidt; Udo Radius","The reductive P-P coupling of primary and secondary phosphines mediated by N-heterocyclic carbenes","Chem.Commun.","2015","51","","10138","","10.1039/C5cc02517F","","","0.71073","MoKα","","0.0483","0.0423","","","0.1229","0.1256","","","","","","1.123","","","","has coordinates,has disorder","139043","2020-10-21","18:00:00",""
"7117488","6.915","","6.915","","36.939","","90","","90","","120","","1529.68","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(Re (C O)3 I3)2 Re","","- C6 I6 O6 Re3 -","- C6 I6 O6 Re3 -","- C18 I18 O18 Re9 -","3","0.166667","","Calderazzo, F.; Vitali, D.; Marchetti, F.; Poli, R.; Zanazzi, P.F.","Synthesis and molecular structure of mixed-valence compounds of rhenium obtained by di-diodine oxidation of rhenium(I) carbonyl complexes; X-Ray crystal structure of Re3 I6 (C O)6","Journal of the Chemical Society. Chemical Communications (1972-)","1981","1981","","893","894","","","","","","","","","","","","","","","","","","","","","","has coordinates","148627","2020-10-21","18:00:00",""
"7117520","19.058","0.012","19.058","0.012","20.787","0.014","90","","90","","120","","6538","7","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C144 H42 O6 P2 -","- C144 H42 O6 P2 -","- C432 H126 O18 P6 -","3","0.166667","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.1077","0.0499","","","0.1117","0.1401","","","","","","1.023","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117640","14.4445","0.0006","14.4445","0.0006","34.0453","0.001","90","","90","","120","","6151.7","0.4","173","0.2","173","0.2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H17 N O5 Pb -","- C11 H17 N O5 Pb -","- C198 H306 N18 O90 Pb18 -","18","1","","Saet Byeol Kim; Dong Woo Lee; Suk-Kyu Chang; Kang Min Ok","Pb3[C6(CH3)3(CO2)3H6]2[DMF]3: first layered Pb-Kemp's triacid complex","Chem.Commun.","2015","51","","13166","","10.1039/C5cc05360A","","","0.71073","MoKα","","0.1398","0.0465","","","0.0625","0.0778","","","","","","0.771","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117880","35.2807","0.0014","35.2807","0.0014","10.4598","0.0004","90","","90","","120","","11275.3","0.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C113.67 H108 Cl11 I12 N24 Pd6 -","- C113.5 H108 Cl11.04 I12 N24 Pd6 -","- C340.5 H324 Cl33.12 I36 N72 Pd18 -","3","0.166667","","Maity, Ramananda; Mekic, Amel; van der Meer, Margarethe; Verma, Amit; Sarkar, Biprajit","Triply cyclometalated trinuclear iridium(iii) and trinuclear palladium(ii) complexes with a tri-mesoionic carbene ligand.","Chemical communications (Cambridge, England)","2015","51","82","15106","15109","10.1039/c5cc05506g","","","0.71073","MoKα","","0.0572","0.0418","","","0.0957","0.1034","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118178","14.8737","0.0004","14.8737","0.0004","24.3175","0.0008","90","","90","","120","","4658.9","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","[Li(DME)3]2[Th(C6H5)6]","","- C60 H90 Li2 O12 Th -","- C60 H90 Li2 O12 Th -","- C180 H270 Li6 O36 Th3 -","3","0.166667","","Pedrick, Elizabeth A.; Hrobárik, Peter; Seaman, Lani A.; Wu, Guang; Hayton, Trevor W.","Synthesis, structure and bonding of hexaphenyl thorium(iv): observation of a non-octahedral structure.","Chemical communications (Cambridge, England)","2015","52","4","689","692","10.1039/c5cc08265j","","","0.71073","MoKα","","0.0451","0.0338","","","0.0655","0.07","","","","","","1.047","","","","has coordinates","171842","2020-10-21","18:00:00",""
"7118224","54.6374","0.0005","54.6374","0.0005","8.9458","0.0001","90","","90","","120","","23127.6","0.4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C41 H33 Cd Cl0 I2 N3 O6 -","- C41 H33 Cd I2 N3 O6 -","- C738 H594 Cd18 I36 N54 O108 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.0955","0.0465","","","0.1117","0.1236","","","","","","0.889","","","","has coordinates","175874","2020-10-21","18:00:00",""
"7118225","54.5811","0.001","54.5811","0.001","8.9081","0.0002","90","","90","","120","","22982.7","0.8","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42.17 H36 Br Cd I2 N3 O6.33 -","- C42.1666 H35.9998 Br Cd I2 N3 O6.3333 -","- C758.999 H647.996 Br18 Cd18 I36 N54 O113.999 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.0998","0.0634","","","0.1916","0.2088","","","","","","1.01","","","","has coordinates","175874","2020-10-21","18:00:00",""
"7118226","54.772","0.0011","54.772","0.0011","8.8733","0.0002","90","","90","","120","","23053.3","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H35 Cd I4 N3 O6 -","- C42 H35 Cd I4 N3 O6 -","- C756 H630 Cd18 I72 N54 O108 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.2068","0.111","","","0.3318","0.3636","","","","","","1.09","","","","has coordinates,has disorder","175874","2020-10-21","18:00:00",""
"7118227","54.8819","0.0011","54.8819","0.0011","8.8759","0.0002","90","","90","","120","","23152.7","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C41 H33 Cd I2 N3 O6 -","- C41 H33 Cd I2 N3 O6 -","- C738 H594 Cd18 I36 N54 O108 -","18","1","","Kim, Jeong Gyun; Noh, Tae Hwan; Cho, Yoonjung; Park, Jin Kyoon; Jung, Ok-Sang","A triple-function nanotube as a reactant reservoir, reaction platform, and byproduct scavenger for photo-cyclopropanation.","Chemical communications (Cambridge, England)","2016","52","12","2545","2548","10.1039/c5cc09967f","","","0.71073","MoKα","","0.1169","0.061","","","0.1412","0.1536","","","","","","0.884","","","","has coordinates","175874","2020-10-21","18:00:00",""
"7118303","13.3984","0.0011","13.3984","0.0011","27.542","0.002","90","","90","","120","","4281.9","0.6","130","2","130","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H38 B N6 S3 Zn -","- C24 H38 B N6 S3 Zn -","- C144 H228 B6 N36 S18 Zn6 -","6","0.333333","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Rauch, Michael; Owen, Jonathan S.; Parkin, Gerard","Synthesis, structure and reactivity of [Tm(Bu(t))]ZnH, a monomeric terminal zinc hydride compound in a sulfur-rich coordination environment: access to a heterobimetallic compound.","Chemical communications (Cambridge, England)","2016","52","11","2358","2361","10.1039/c5cc08915h","","","0.71073","MoKα","","0.0651","0.0373","","","0.0739","0.0799","","","","","","1.005","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7118365","25.299","0.0012","25.299","0.0012","166.828","0.003","90","","90","","120","","92471","6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C186 H102 N8 O71 S3 Zn20 -","- C186 H102 N8 O71 S3 Zn20 -","- C1116 H612 N48 O426 S18 Zn120 -","6","0.333333","","Xie, Wei; He, Wen-Wen; Du, Dong-Ying; Li, Shun-Li; Qin, Jun-Sheng; Su, Zhong-Min; Sun, Chun-Yi; Lan, Ya-Qian","A stable Alq3@MOF composite for white-light emission.","Chemical communications (Cambridge, England)","2016","52","16","3288","3291","10.1039/c5cc08703a","","","0.71073","MoKα","","0.1591","0.0726","","","0.1917","0.2151","","","","","","1.029","","","","has coordinates,has disorder","177672","2020-10-21","18:00:00",""
"7118390","11.1202","","11.1202","","20.6376","","90","","90","","120","","2210.12","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Cs Er6 I12 C","","- C Cs Er6 I12 -","- C Cs Er6 I12 -","- C3 Cs3 Er18 I36 -","3","0.166667","","Artelt, H.M.; Meyer, G.","Synthesis and Crystal Structures of two new reduced Iodides of Erbium with isolated monomeric and dimeric Clusters, Cs Er6C I12 and Cs ER10(C2)I18","Journal of the Chemical Society. Chemical Communications (1972-)","1992","1992","","1320","1321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118478","14.8737","0.0004","14.8737","0.0004","24.3175","0.0008","90","","90","","120","","4658.9","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","[Li(DME)3]2[Th(C6H5)6]","","- C60 H90 Li2 O12 Th -","- C60 H90 Li2 O12 Th -","- C180 H270 Li6 O36 Th3 -","3","0.166667","","Elizabeth A. Pedrick; Peter Hrobarik; Lani A. Seaman; Guang Wu; Trevor W. Hayton","Synthesis, structure and bonding of hexaphenyl thorium(IV): observation of a non-octahedral structure","Chem.Commun.","2016","52","","689","","","","","0.71073","MoKα","","0.0451","0.0338","","","0.0655","0.07","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118697","30.549","","30.549","","11.026","","90","","90","","120","","8911.33","","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C49 H32 Cl2 N4 -","- C48 H30 N4 -","- C432 H270 N36 -","9","0.5","","Feng, Cunfang; Wang, Kai; Xu, Yuanxiang; Liu, Liqun; Zou, Bo; Lu, Ping","Unique piezochromic fluorescence behavior of organic crystal of carbazole-substituted CNDSB.","Chemical communications (Cambridge, England)","2016","52","19","3836","3839","10.1039/c5cc09152g","","","0.71069","MoKα","","0.0791","0.0568","","","0.1875","0.2098","","","","","","1.098","","","","has coordinates","204120","2020-10-21","18:00:00",""
"7118860","23.108","0.003","23.108","0.003","56.327","0.011","90","","90","","120","","26048","7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C232.5 H275.5 Cl8 Cu32 N67.5 O57 -","- C222.654 H237.09 Cl8 Cu32 N64.218 O42 -","- C667.962 H711.27 Cl24 Cu96 N192.654 O126 -","3","0.166667","","Feng, Sisi; Jia, Fei; Lu, Liping; Li, Zhongping; Zhang, Shuo","An unusual 32-membered copper(ii) metallomacrocube based on a Cu4O3X cubic core: photocatalytic, electrocatalytic, and magnetic properties.","Chemical communications (Cambridge, England)","2016","52","23","4294","4297","10.1039/c6cc00399k","","","0.72","synchrotron","","0.1204","0.078","","","0.231","0.2585","","","","","","0.996","","","","has coordinates,has disorder","178124","2020-10-21","18:00:00",""
"7119154","25.7542","0.0003","25.7542","0.0003","6.755","0.0003","90","","90","","120","","3880.18","0.18","200","","200","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Ne0.46 Ni O3 -","- C4 H Ne0.4605 Ni O3 -","- C72 H18 Ne8.289 Ni18 O54 -","18","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.028","0.028","","0.0412","0.0412","","","","3.13","","","","","","","has coordinates","275240","2022-05-09","00:44:05",""
"7119155","25.7611","0.0004","25.7611","0.0004","6.7565","0.0003","90","","90","","120","","3883.12","0.19","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Ne1.045 Ni O3 -","- C4 H Ne1.04417 Ni O3 -","- C72 H18 Ne18.795 Ni18 O54 -","18","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.0424","0.0424","","0.0558","0.0558","","","","3.26","","","","","","","has coordinates","275240","2022-05-09","00:44:06",""
"7119158","25.7522","0.0003","25.7522","0.0003","6.7576","0.0003","90","","90","","120","","3881.07","0.18","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Ne0.223 Ni O3 -","- C4 H Ne0.223 Ni O3 -","- C72 H18 Ne4.014 Ni18 O54 -","18","1","","Wood, Peter A.; Sarjeant, Amy A.; Yakovenko, Andrey A.; Ward, Suzanna C.; Groom, Colin R.","Capturing neon – the first experimental structure of neon trapped within a metal-organic environment","Chemical Communications (Cambridge, United Kingdom)","2016","52","65","10048","10051","10.1039/c6cc04808k","powder diffraction","x-ray","0.72768","synchrotron","","0.0217","0.0217","","0.036","0.036","","","","3.5","","","","","","","has coordinates","275240","2022-05-09","00:44:06",""
"7119482","44.874","0.004","44.874","0.004","42.074","0.005","90","","90","","120","","73373","13","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","InOF-9","","- C72 H40 In2 O16 -","- C72 H40 In2 O16 -","- C1296 H720 In36 O288 -","18","1","","Panpan; Yu; Qipeng; Li; Yue; Hu; Nannan; Liu; Lijie; Zhang; Kongzhao; Su; Jinjie; Qian; Shaoming; Huang; Maochun; Hong","Cuboctahedron-based indium-organic frameworks for gas sorption and selective cation exchange","Chem.Commun.","2016","52","","7978","","","","","0.71073","MoKα","","0.1337","0.0845","","","0.2307","0.2533","","","","","","0.945","","","","has coordinates","190518","2020-10-21","18:00:00",""
"7119567","25.3","0.004","25.3","0.004","64.395","0.013","90","","90","","120","","35696","11","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","lanthanide tetrahedron","Eu4L6","","- C180 H132 Eu4 F36 N36 O63 S12 -","- C180.001 H132 Eu4 F36.003 N36 O63.003 S12.001 -","- C1080.01 H792 Eu24 F216.018 N216 O378.018 S72.006 -","6","0.333333","","Liu, Cui-Lian; Zhou, Li-Peng; Tripathy, Debakanta; Sun, Qing-Fu","Self-assembly of stable luminescent lanthanide supramolecular M4L6 cages with sensing properties toward nitroaromatics.","Chemical communications (Cambridge, England)","2017","53","16","2459","2462","10.1039/c7cc00189d","","","0.97944","synchrotron","","0.1032","0.0965","","","0.2999","0.3103","","","","","","1.444","","","","has coordinates","193682","2020-10-21","18:00:00",""
"7119628","18.8982","0.0009","18.8982","0.0009","28.7167","0.0014","90","","90","","120","","8881.9","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H120 B2 O7 Si8 -","- C144 H120 B2 O7 Si8 -","- C432 H360 B6 O21 Si24 -","3","0.166667","","Chatterjee, Basujit; Gunanathan, Chidambaram","Ruthenium-catalysed multicomponent synthesis of borasiloxanes.","Chemical communications (Cambridge, England)","2017","53","16","2515","2518","10.1039/c7cc00787f","","","0.71073","MoKα","","0.0546","0.0475","","","0.1149","0.1197","","","","","","1.102","","","","has coordinates","193679","2020-10-21","18:00:00",""
"7120315","45.724","0.007","45.724","0.007","10.778","0.002","90","","90","","120","","19514","6","95","2","95","2","","","","","","","copper nitrate, dinitrobiphenyl dicarboxylic acid","5","R -3 :H","-R 3","148","CuNbO-2","CuNbO-2","","- C22 H24 Cu N4 O10 -","- C22 H24 Cu N4 O10 -","- C396 H432 Cu18 N72 O180 -","18","1","","McDonald, Kyle Andrew; Ko, Nakeun; Noh, Kyungkyou; Bennion, Jonathan C.; Kim, Jaheon; Matzger, Adam","Thermal Decomposition Pathways of Nitro-functionalized Metal-Organic Frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC03354K","","","0.8","synchrotron","","0.1055","0.0998","","","0.3196","0.3247","","","","","","1.51","","","","has coordinates,has disorder","198055","2020-10-21","18:00:00",""
"7120422","11.4","0.003","11.4","0.003","42.6593","0.001","90","","90","","120","","4801.2","1.8","263","2","263","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H29 N3 O6 -","- C39.93 H28.92 N3 O6 -","- C239.58 H173.52 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0869","0.0751","","","0.2178","0.2242","","","","","","1.282","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120423","11.1835","0.0005","11.1835","0.0005","44.034","0.003","90","","90","","120","","4769.5","0.4","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H24 F3 N3 O6 -","- C39 H24 F3 N3 O6 -","- C234 H144 F18 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0411","0.036","","","0.1041","0.1086","","","","","","1.159","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120425","11.1609","0.0011","11.1609","0.0011","42.683","0.006","90","","90","","120","","4604.5","0.9","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H27 N3 O6 -","- C39 H27 N3 O6 -","- C234 H162 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0684","0.0669","","","0.1141","0.1147","","","","","","1.356","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120426","11.3405","0.0013","11.3405","0.0013","43.872","0.008","90","","90","","120","","4886.3","1.2","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H23 Cl F3 N3 O6 -","- C38.94 H22.95 Cl0.99 F3 N3 O6 -","- C233.64 H137.7 Cl5.94 F18 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.1222","0.0806","","","0.2126","0.2524","","","","","","1.077","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120428","11.2723","0.0014","11.2723","0.0014","42.445","0.008","90","","90","","120","","4670.7","1.2","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H26 Cl N3 O6 -","- C38.94 H25.95 Cl0.99 N3 O6 -","- C233.64 H155.7 Cl5.94 N18 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.1","0.0907","","","0.1867","0.1926","","","","","","1.33","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120429","11.1856","0.0006","11.1856","0.0006","42.522","0.003","90","","90","","120","","4607.5","0.5","113","2","113","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H26 N4 O6 -","- C38.1 H26.1 N4.02 O6 -","- C228.6 H156.6 N24.12 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0554","0.0487","","","0.1217","0.1268","","","","","","1.127","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120432","11.1691","0.0008","11.1691","0.0008","44.161","0.004","90","","90","","120","","4771","0.6","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H23 F3 N4 O6 -","- C37.95 H22.95 F3 N3.99 O6 -","- C227.7 H137.7 F18 N23.94 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0556","0.0523","","","0.1373","0.1401","","","","","","1.118","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120434","11.279","0.008","11.279","0.008","42.69","0.03","90","","90","","120","","4703","6","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H28 N4 O6 -","- C38.94 H27.93 N3.99 O6 -","- C233.64 H167.58 N23.94 O36 -","6","0.333333","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0629","0.0582","","","0.1589","0.1632","","","","","","1.122","","","","has coordinates,has disorder","198655","2020-10-21","18:00:00",""
"7120856","27.7386","0.0006","27.7386","0.0006","54.2411","0.0013","90","","90","","120","","36143.3","1.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C74 H64 F12 Ir2 N8 O17 S4 -","- C73.6667 H62 F11 Ir2 N8 O16 S3.66667 -","- C1326 H1116 F198 Ir36 N144 O288 S66 -","18","1","","Liu, Naifang; Huang, Shengli; Liu, Xiaogang; Luo, He-Kuan; Hor, T. S. Andy","Self-assembled [2]Catenane in Trapezodial Metallacycles with [Cp*Ir]-Corner","Chemical Communications","2017","","","","","10.1039/C7CC08009C","","","1.54178","CuKα","","0.0729","0.0631","","","0.1697","0.1825","","","","","","0.955","","","","has coordinates,has disorder","202935","2020-10-21","18:00:00",""
"7120860","28.521","0.0007","28.521","0.0007","9.6037","0.0003","90","","90","","120","","6765.5","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H7 Br Cu N6 -","- C8 H7 Br Cu N6 -","- C144 H126 Br18 Cu18 N108 -","18","1","","Liu, Jie; Du, Jia-Jia; Wu, Yuan; Zhao, Yi-Fang; Zhou, Xiao-Ping; Li, Dan","From Helix to Helical Pores: Solid-state Crystalline Conversions Triggered by Gas-Solid Reactions","Chemical Communications","2017","","","","","10.1039/C7CC07510C","","","1.54184","CuKα","","0.037","0.035","","","0.0836","0.0846","","","","","","1.075","","","","has coordinates,has disorder","202988","2020-10-21","18:00:00",""
"7120861","27.9457","0.0007","27.9457","0.0007","9.7132","0.0002","90","","90","","120","","6569.4","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H7 Cl Cu N6 -","- C8 H7 Cl Cu N6 -","- C144 H126 Cl18 Cu18 N108 -","18","1","","Liu, Jie; Du, Jia-Jia; Wu, Yuan; Zhao, Yi-Fang; Zhou, Xiao-Ping; Li, Dan","From Helix to Helical Pores: Solid-state Crystalline Conversions Triggered by Gas-Solid Reactions","Chemical Communications","2017","","","","","10.1039/C7CC07510C","","","1.54184","CuKα","","0.0401","0.0379","","","0.106","0.1077","","","","","","1.057","","","","has coordinates,has disorder","202988","2020-10-21","18:00:00",""
"7120934","19.093","0.004","19.093","0.004","19.869","0.009","90","","90","","120","","6273","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.5 H13.5 N1.5 O13 Zn4 -","- C31.5 H13.5 N1.5 O13 Zn4 -","- C189 H81 N9 O78 Zn24 -","6","0.333333","","Zhou, Hui-Fang; Liu, Bo; Hou, Lei; Zhang, Wen-Yan; Wang, Yao-Yu","Rational construction of a stable Zn<sub>4</sub>O-based MOF for highly efficient CO<sub>2</sub> capture and conversion.","Chemical communications (Cambridge, England)","2018","54","5","456","459","10.1039/c7cc08473k","","","0.71073","MoKα","","0.1412","0.1103","","","0.3168","0.3408","","","","","","1.268","","","","has coordinates,has disorder","228147","2020-10-21","18:00:00",""
"7121336","47.432","0.007","47.432","0.007","13.658","0.003","90","","90","","120","","26611","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H45.5 N7.5 O11.5 Zn -","- C23 H17 N2 O7 Zn -","- C414 H306 N36 O126 Zn18 -","18","1","","Zhou, Yue; Yao, Shuo; Ma, Yali; Li, Guanghua; Huo, Qisheng; Liu, Yunling","An anionic single-walled metal-organic nanotube with an armchair (3,3) topology as an extremely smart adsorbent for the effective and selective adsorption of cationic carcinogenic dyes.","Chemical communications (Cambridge, England)","2018","54","24","3006","3009","10.1039/c8cc00542g","","","0.71073","MoKα","","0.1215","0.0661","","","0.1745","0.1925","","","","","","0.93","","","","has coordinates,has disorder","227997","2020-10-21","18:00:00",""
"7121725","22.3483","0.0004","22.3483","0.0004","8.0031","0.0001","90","","90","","120","","3461.61","0.1","100.1","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","pillar[6]pyridinium hexachloride salt hydrate","","","- C36 H36 Cl6 N6 O10 -","- C36 H36 Cl6 N6 O9.9996 -","- C108 H108 Cl18 N18 O29.9988 -","3","0.166667","","Kosiorek, Sandra; Butkiewicz, Helena; Danylyuk, Oksana; Sashuk, Volodymyr","Pillar[6]pyridinium: a hexagonally shaped molecular box that selectively recognizes multicharged anionic species.","Chemical communications (Cambridge, England)","2018","54","49","6316","6319","10.1039/c8cc03353f","","","1.54184","CuKα","","0.0401","0.04","","","0.1095","0.1096","","","","","","1.088","","","","has coordinates,has disorder","228495","2020-10-21","18:00:00",""
"7121861","26.1757","0.0005","26.1757","0.0005","31.6025","0.0009","90","","90","","120","","18752","0.7","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C42 H40 N4 -","- C42 H40 N4 -","- C756 H720 N72 -","18","1","","Dutta, Ranjan; Firmansyah, Dikhi; Kim, Jihoon; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","Unexpected halide anion binding modes in meso-bis-ethynyl picket-calix[4]pyrroles: effects of meso-π (ethynyl) extension.","Chemical communications (Cambridge, England)","2018","54","57","7936","7939","10.1039/c8cc04393k","","x-ray","0.71073","MoKα","","0.1929","0.1056","","","0.2558","0.3099","","","","","","1.017","","","","has coordinates","228265","2020-10-21","18:00:00",""
"7121903","14.537","0.009","14.537","0.009","9.815","0.013","90","","90","","120","","1796","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Hg Na7 S12 Sb5 -","- Hg1.02 Na7 S12 Sb4.98 -","- Hg3.06 Na21 S36 Sb14.94 -","3","0.166667","","Wu, Kui; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Remarkable multimember-ring configurations in a new family of Na<sub>7</sub>M<sup>II</sup>Sb<sub>5</sub>S<sub>12</sub> (M<sup>II</sup> = Zn, Cd, Hg) exhibiting various three-dimensional tunnel structures.","Chemical communications (Cambridge, England)","2018","54","59","8269","8272","10.1039/c8cc04639e","","","0.71073","MoKα","","0.0408","0.0355","","","0.0849","0.0882","","","","","","1.123","","","","has coordinates","228553","2020-10-21","18:00:00",""
"7121904","14.531","0.002","14.531","0.002","9.845","0.003","90","","90","","120","","1800.3","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd Na7 S12 Sb5 -","- Cd1.02 Na7 S12 Sb4.98 -","- Cd3.06 Na21 S36 Sb14.94 -","3","0.166667","","Wu, Kui; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Remarkable multimember-ring configurations in a new family of Na<sub>7</sub>M<sup>II</sup>Sb<sub>5</sub>S<sub>12</sub> (M<sup>II</sup> = Zn, Cd, Hg) exhibiting various three-dimensional tunnel structures.","Chemical communications (Cambridge, England)","2018","54","59","8269","8272","10.1039/c8cc04639e","","","0.71073","MoKα","","0.0487","0.0336","","","0.0613","0.0686","","","","","","1.047","","","","has coordinates","228553","2020-10-21","18:00:00",""
"7121905","14.4964","0.0012","14.4964","0.0012","9.8156","0.0017","90","","90","","120","","1786.4","0.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Na7 S12 Sb5 Zn -","- Na7 S12 Sb4.98 Zn1.02 -","- Na21 S36 Sb14.94 Zn3.06 -","3","0.166667","","Wu, Kui; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Remarkable multimember-ring configurations in a new family of Na<sub>7</sub>M<sup>II</sup>Sb<sub>5</sub>S<sub>12</sub> (M<sup>II</sup> = Zn, Cd, Hg) exhibiting various three-dimensional tunnel structures.","Chemical communications (Cambridge, England)","2018","54","59","8269","8272","10.1039/c8cc04639e","","","0.71073","MoKα","","0.0265","0.0233","","","0.0432","0.0442","","","","","","1.152","","","","has coordinates","228553","2020-10-21","18:00:00",""
"7121989","11.349","0.002","11.349","0.002","38.211","0.007","90","","90","","120","","4262.2","1.3","90","2","90","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H62 Cl2 Co3 N12 O8 -","- C56 H61.9992 Cl2 Co3 N12 O7.9998 -","- C168 H185.998 Cl6 Co9 N36 O23.9994 -","3","0.166667","","Mitsuhashi, Ryoji; Pedersen, Kasper S.; Ueda, Takaaki; Suzuki, Takayoshi; Bendix, Jesper; Mikuriya, Masahiro","Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand.","Chemical communications (Cambridge, England)","2018","54","64","8869","8872","10.1039/c8cc04756a","","","0.71073","MoKα","","0.0725","0.0603","","","0.1559","0.1645","","","","","","1.142","","","","has coordinates,has disorder","228230","2020-10-21","18:00:00",""
"7122078","21.982","0.0005","21.982","0.0005","10.3781","0.0003","90","","90","","120","","4342.93","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42.5 H29 N3 O0.5 -","- C42.5001 H29.0004 N3 O0.5001 -","- C255.001 H174.002 N18 O3.0006 -","6","0.333333","","Ou, Arnold; Guédin, Aurore; Skelton, Brian W.; Amrane, Samir; Evans, Cameron W.; Norret, Marck; Iyer, K. Swaminathan; Mergny, Jean-Louis; Smith, Nicole M.","Multicarbazole scaffolds for selective G-quadruplex binding.","Chemical communications (Cambridge, England)","2018","54","69","9647","9650","10.1039/c8cc03945c","","x-ray","1.54184","CuKα","","0.0506","0.0402","","","0.1053","0.1116","","","","","","1.074","","","","has coordinates,has disorder","228210","2020-10-21","18:00:00",""
"7122189","47.5183","0.0006","47.5183","","25.9584","0.0002","90","","90","","120","","50761","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C63 H101 N Na2 O64 S8 Y2 -","- C63 H69 N Na2.00333 O63.97 S8 Y2 -","- C1134 H1242 N18 Na36.06 O1151.46 S144 Y36 -","18","1","","Ling, Irene; Kumari, Harshita; Mirzamani, Marzieh; Sobolev, Alexandre N.; Garvey, Christopher J.; Atwood, Jerry L.; Raston, Colin L.","Phase dependent structural perturbation of a robust multicomponent assembled icosahedral array.","Chemical communications (Cambridge, England)","2018","54","77","10824","10827","10.1039/c8cc05650a","","","1.54178","CuKα","","0.107","0.0979","","","0.2801","0.29","","","","","","1.319","","","","has coordinates,has disorder","228073","2020-10-21","18:00:00",""
"7122425","23.39","0.007","23.39","0.007","13.909","0.005","90","","90","","120","","6590","4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C7 H0 N7 O1.17 S2 Zn -","- C7 N7 O1.16667 S2 Zn -","- C126 N126 O21 S36 Zn18 -","18","1","","Gai, Yanli; Chen, Xitong; Yang, Huajun; Wang, Yanxiang; Bu, Xianhui; Feng, Pingyun","A new strategy for constructing a disulfide-functionalized ZIF-8 analogue using structure-directing ligand-ligand covalent interaction.","Chemical communications (Cambridge, England)","2018","54","85","12109","12112","10.1039/c8cc07064d","","","0.71073","MoKα","","0.0761","0.0588","","","0.1686","0.1848","","","","","","1.077","","","","has coordinates,has disorder","228377","2020-10-21","18:00:00",""
"7122668","47.685","0.005","47.685","0.005","12.1985","0.0016","90","","90","","120","","24022","5","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C118.5 H128 N10 O2 P4 Ru2 -","- C108 H112 N10 O2 P4 Ru2 -","- C972 H1008 N90 O18 P36 Ru18 -","9","0.5","","Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki","Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage","Chemical Communications","2018","","","","","10.1039/C8CC08384C","","","0.71075","MoKα","","0.0745","0.0649","","","0.18","0.1914","","","","","","1.057","","","","has coordinates,has disorder","212256","2020-10-21","18:00:00",""
"7122747","34.015","0.013","34.015","0.013","8.9339","0.0018","90","","90","","120","","8952","5","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C72 H120 Br6 Cd6 Co6 N12 O42 S12 -","- C72 H120 Br6 Cd6 Co6 N12 O42 S12 -","- C216 H360 Br18 Cd18 Co18 N36 O126 S36 -","3","0.166667","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0748","0.0575","","","0.1036","0.1089","","","","","","1.165","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7122749","34.458","0.005","34.458","0.005","9.1227","0.0006","90","","90","","120","","9381","2","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C72 H156 Cd6 Co6 I6 N12 O42 S12 -","- C72 H156 Cd6 Co6 I6 N12 O42 S12 -","- C216 H468 Cd18 Co18 I18 N36 O126 S36 -","3","0.166667","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0236","0.0212","","","0.0476","0.0485","","","","","","1.14","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7122751","34.066","0.012","34.066","0.012","8.8283","0.0016","90","","90","","120","","8873","5","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C72 H156 Cd6 Cl6 Co6 N12 O42 S12 -","- C72 H120 Cd6 Cl6 Co6 N12 O42 S12 -","- C216 H360 Cd18 Cl18 Co18 N36 O126 S36 -","3","0.166667","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0534","0.0462","","","0.1113","0.1149","","","","","","1.12","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7123386","27.684","0.005","27.684","0.005","18.006","0.005","90","","90","","120","","11951","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H18 O11 Zn2 -","- C20 H18 O11 Zn2 -","- C360 H324 O198 Zn36 -","18","1","","Hu, Han; Zhu, Jiaxing; Yang, Feilong; Chen, Zhenxia; Deng, Mingli; Weng, Linhong; Ling, Yun; Zhou, Yaming","A robust etb-type metal-organic framework showing polarity-exclusive adsorption of acetone over methanol for their azeotropic mixture.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc02439e","","","0.71073","MoKα","","0.0496","0.0408","","","0.1162","0.1205","","","","","","1.018","","","","has coordinates","214923","2020-10-21","18:00:00",""
"7123388","27.66","0.007","27.66","0.007","17.978","0.005","90","","90","","120","","11912","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H20 O11 Zn2 -","- C22 H17.972 O11 Zn2 -","- C396 H323.496 O198 Zn36 -","18","1","","Hu, Han; Zhu, Jiaxing; Yang, Feilong; Chen, Zhenxia; Deng, Mingli; Weng, Linhong; Ling, Yun; Zhou, Yaming","A robust etb-type metal-organic framework showing polarity-exclusive adsorption of acetone over methanol for their azeotropic mixture.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c9cc02439e","","","1.34139","GaKα","","0.0492","0.0421","","","0.1227","0.1287","","","","","","1.101","","","","has coordinates,has disorder","214923","2020-10-21","18:00:00",""
"7123419","33.6076","0.0016","33.6076","0.0016","8.271","0.0005","90","","90","","120","","8090.3","0.7","273","","273","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H16 As2 Cl2 F10 Pt -","- C36 H16 As2 Cl2 F10 Pt -","- C324 H144 As18 Cl18 F90 Pt9 -","9","0.5","","Sasaki, Hiroshi; Imoto, Hiroaki; Kitao, Takashi; Uemura, Takashi; Yumura, Takashi; Naka, Kensuke","Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching of Luminescence and Porosity","Chemical Communications","2019","","","","","10.1039/C9CC02309G","","","0.71075","MoKα","","0.0466","0.0402","","","0.0986","0.1029","","","","","","1.058","","","","has coordinates","215019","2020-10-21","18:00:00",""
"7123420","34.32","0.003","34.32","0.003","8.6005","0.001","90","","90","","120","","8773","1.5","273","","273","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H16 As2 F10 I2 Pt -","- C36 H16 As2 F10 I2 Pt -","- C324 H144 As18 F90 I18 Pt9 -","9","0.5","","Sasaki, Hiroshi; Imoto, Hiroaki; Kitao, Takashi; Uemura, Takashi; Yumura, Takashi; Naka, Kensuke","Fluorinated Porous Molecular Crystals: Vapor-Triggered On-Off Switching of Luminescence and Porosity","Chemical Communications","2019","","","","","10.1039/C9CC02309G","","","0.71075","MoKα","","0.0377","0.0332","","","0.0846","0.0881","","","","","","1.027","","","","has coordinates","215019","2020-10-21","18:00:00",""
"7123560","23.1283","0.001","23.1283","0.001","30.459","0.002","90","","90","","120","","14110.2","1.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H110 Ba13 Cl34 N10 O70 Sb36 -","- Ba13 Cl34 O54 Sb36 -","- Ba39 Cl102 O162 Sb108 -","3","0.166667","","Wu, Zhao-Feng; Hu, Bing; Fu, Zhi-hua; Wang, Hao; Xu, Gang; Gong, Liaokuo; Zou, Guo-Dong; Huang, Xiao-ying; Li, Jing","[Ba13Sb36Cl34O54]8-: High-nuclearity cluster for the assembly of nanocluster-based compounds","Chemical Communications","2019","","","","","10.1039/C9CC02145K","","","0.71073","MoKα","","0.1195","0.0639","","","0.1301","0.157","","","","","","1.075","","","","has coordinates","215591","2020-10-21","18:00:00",""
"7123684","28.694","0.003","28.694","0.003","36.141","0.005","90","","90","","120","","25770","5","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H140 N18 O49 S25 Zn25 -","- C90 H82.53 N18 O24 S25 Zn25 -","- C540 H495.18 N108 O144 S150 Zn150 -","6","0.333333","","Xue, Chaozhuang; Zhang, Jiaxu; Wang, Xiang; Gu, Meng; Zhu, Yuanmin; Li, Dong-Sheng; Guo, Jun; Liu, Yang; Wu, Tao","Light-Triggered Evolution of Molecular Cluster toward Sub-nanoscale Heterojunction with High Interface Density","Chemical Communications","2019","","","","","10.1039/C9CC03873F","","","0.71073","MoKα","","0.043","0.0351","","","0.0833","0.0884","","","","","","1.057","","","","has coordinates,has disorder","216079","2020-10-21","18:00:00",""
"7123833","23.604","0.004","23.604","0.004","10.803","0.006","90","","90","","120","","5213","3","296.2","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C78 H84 O6 -","- C78 H84 O6 -","- C234 H252 O18 -","3","0.166667","","Youichi Hosokawa; Takeshi Kawase; Masaji Oda","8,16,24,32,40,48-Hexamethoxy[2.6]metacyclophane-1,9,17,25,33,41-hexayne: a novel near-planar ammonium selective ionophore","Chemical Communications","2001","19","","1948","1949","10.1039/B104325K","","","0.7107","MoKα","","","0.0603","","","","0.1352","","","","","","1.01","","","","has coordinates","216960","2020-10-21","18:00:00",""
"7124458","29.828","0.003","29.828","0.003","24.556","0.003","90","","90","","120","","18921","4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H48 N32 O16 -","- C48 H48 N32 O16 -","- C432 H432 N288 O144 -","9","0.5","","Chen, Li-Xia; Liu, Ming; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jinxin; Zhu, Bixue; Tao, Zhu","Outer surface interaction to drive cucurbit[8]uril-based supramolecular frameworks: possible application in gold recovery","Chemical Communications","2019","","","","","10.1039/C9CC07147D","","x-ray","0.71073","MoKα","","0.0822","0.0516","","","0.1351","0.1456","","","","","","1.081","","","","has coordinates","225405","2020-10-21","18:00:00",""
"7124560","24.4801","0.001","24.4801","0.001","29.1304","0.0019","90","","90","","120","","15118.3","1.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H18 I6 O13 Zn4 -","- C42 H18 I6 O13 Zn4 -","- C252 H108 I36 O78 Zn24 -","6","0.333333","","Babarao, Ravichandar; Coghlan, Campbell J.; Rankine, Damien; Bloch, Witold M.; Gransbury, Gemma K.; Sato, Hiroshi; Kitagawa, Susumu; Sumby, Christopher J.; Hill, Matthew R.; Doonan, Christian J.","Does functionalisation enhance CO2 uptake in interpenetrated MOFs? An examination of the IRMOF-9 series.","Chemical communications (Cambridge, England)","2014","50","24","3238","3241","10.1039/c4cc00700j","","","0.71073","MoKα","","0.1047","0.0758","","","0.2237","0.2417","","","","","","1.043","","","","has coordinates,has disorder","232733","2020-10-21","18:00:00",""
"7124941","24.722","0.004","24.722","0.004","13.524","0.002","90","","90","","120","","7158","2","93","","93","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C41 H38 N4 O2 -","- C41 H38 N4 O2 -","- C369 H342 N36 O18 -","9","0.5","","Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.","Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.","Chemical communications (Cambridge, England)","2016","52","71","10747","10750","10.1039/c6cc05747k","","","0.71069","MoKα","","0.0735","0.0636","","","0.1746","0.1846","","","","","","1.051","","","","has coordinates","234367","2020-10-21","18:00:00",""
"7125056","13.4468","0.0003","13.4468","0.0003","53.0891","0.0012","90","","90","","120","","8313.3","0.3","150","2","150","2","","","","","","","synthesized chemically by authors","8","R -3 :H","-R 3","148","","[syn,syn,syn-5,10,15-tris(3-pyridyl)-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluorene]rhenium(I)tricarbonyl hexafluorophosphate","","- C68 H53 Cl60 F6 N3 O3 P Re -","- C48 H33 F6 N3 O3 P Re -","- C288 H198 F36 N18 O18 P6 Re6 -","6","0.333333","","Norouzi-Arasi, Hassan; Pal, Amlan K.; Nag, Samik; Chartrand, Daniel; Hanan, Garry S.","Synthesis and photophysical properties of C<sub>3</sub>-symmetric tris(pyridyl)truxene scaffolds of Ru(ii) and Re(i).","Chemical communications (Cambridge, England)","2016","52","82","12159","12162","10.1039/c6cc06496e","","","1.54178","CuKα","","0.0585","0.0531","","","0.1444","0.1479","","","","","","1.087","","","","has coordinates","234473","2020-10-21","18:00:00",""
"7125404","17.8304","0.0014","17.8304","0.0014","36.593","0.017","90","","90","","120","","10075","5","108.05","0.1","108.05","0.1","","","","","","","","5","R -3 :H","-R 3","148","1,2-oxaphosphinine 2-oxide","rel-(2R,3S,4R)-2-ethoxy-4,6-diphenyl-3-(4-(trifluoromethyl)phenyl)-3,4-dihydro-1,2-oxaphosphinine 2-oxide","","- C25 H22 F3 O3 P -","- C25 H22 F3 O3 P -","- C450 H396 F54 O54 P18 -","18","1","","Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi","Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.","Chemical communications (Cambridge, England)","2019","55","87","13124","13127","10.1039/c9cc06352h","","x-ray","0.71073","MoKα","","0.0702","0.0494","","","0.0996","0.1102","","","","","","1.03","","","","has coordinates,has disorder","237857","2020-10-21","18:00:00",""
"7125517","13.4892","0.0018","13.4892","0.0018","14.984","0.003","90","","90","","120","","2361.2","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C1.71 H0 Co N0.71 O3.43 P0.86 -","- C1.71429 Co0.967429 N0.714286 O3.42857 P0.851143 -","- C36 Co20.316 N15 O72 P17.874 -","21","1.16667","","Neeraj, S.; Forster, P. M.; Rao, C. N. R.; Cheetham, A. K.","A new route for the synthesis of open-framework metal phosphates using organophosphates","Chemical Communications","2001","","24","2716","","10.1039/b107898b","","","0.71073","MoKα","","0.1037","0.0664","","","0.1592","0.1796","","","","","","1.032","","","","has coordinates","243980","2020-10-21","18:00:00",""
"7125548","13.979","0.002","13.979","","23.869","0.003","90","","90","","120","","4039.4","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H16.5 Fe0.5 O9 S1.5 -","- C6 H16.5 Fe0.5 O9 S1.5 -","- C72 H198 Fe6 O108 S18 -","12","0.666667","","Dalrymple, Sean A.; Parvez, Masood; Shimizu, George K. H.","Supramolecular encapsulation of hexaaquo metal ions by second sphere coordination","Chemical Communications","2001","","24","2672","","10.1039/b110129n","","","0.71069","MoKα","","0.0411","0.0276","","","0.0726","0.0791","","","","","","1.057","","","","has coordinates","244006","2020-10-21","18:00:00",""
"7125887","51.495","0.0014","51.495","0.0014","48.469","0.003","90","","90","","120","","111308","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C922 H1222 N150 O268 Zn24 -","- C720 H504 N96 O144 Zn24 -","- C2160 H1512 N288 O432 Zn72 -","3","0.166667","","Pei, Wen-Yuan; Yang, Jin; Wu, Hui; Zhou, Wei; Yang, Ying-Wei; Ma, Jian-Fang","A calix[4]resorcinarene-based giant coordination cage: controlled assembly and iodine uptake.","Chemical communications (Cambridge, England)","2020","56","16","2491","2494","10.1039/d0cc00157k","","","0.71073","MoKα","","0.2286","0.1049","","","0.3039","0.3981","","","","","","1.077","","","","has coordinates,has disorder","248815","2020-10-21","18:00:00",""
"7125946","29.802","0.004","29.802","0.004","68.496","0.014","90","","90","","120","","52685","15","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C396 H378 N48 O78 Pd6 S12 -","- C396 H378 N48 O78 Pd6 S12 -","- C1188 H1134 N144 O234 Pd18 S36 -","3","0.166667","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.9","synchrotron","","0.2036","0.1499","","","0.4205","0.4504","","","","","","1.852","","","","has coordinates,has disorder","250180","2020-10-21","18:00:00",""
"7125948","29.879","0.004","29.879","0.004","68.309","0.014","90","","90","","120","","52813","15","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C420 H426 N48 O78 Pd6 S12 -","- C420 H426 N48 O78 Pd6 S12 -","- C1260 H1278 N144 O234 Pd18 S36 -","3","0.166667","","Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang","Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants.","Chemical communications (Cambridge, England)","2020","56","19","2841","2844","10.1039/c9cc09742b","","","0.75","synchrotron","","0.2257","0.1295","","","0.3671","0.4149","","","","","","1.122","","","","has coordinates","250180","2020-10-21","18:00:00",""
"7125966","18.3819","0.0008","18.3819","0.0008","35.5789","0.0018","90","","90","","120","","10411.3","0.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C82 H171.4 N26 O59.6 P6 -","- C82 H120 N26 O59.6 P6 -","- C246 H360 N78 O178.8 P18 -","3","0.166667","","Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Supramolecular traps for highly phosphorylated inositol sources of phosphorus.","Chemical communications (Cambridge, England)","2020","56","22","3269","3272","10.1039/c9cc09321d","","","1.54178","CuKα","","0.2191","0.1584","","","0.3512","0.3915","","","","","","1.064","","","","has coordinates","250166","2020-10-21","18:00:00",""
"7126094","13.4577","0.0003","13.4577","0.0003","20.3224","0.0004","90","","90","","120","","3187.48","0.12","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H48 Co8 K N8 O12 S2 -","- C26 H54 Co8 N8 O12 S3 -","- C78 H162 Co24 N24 O36 S9 -","3","0.166667","","Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming","Tetrahedral μ<sub>4</sub>-chloride and in situ generated octahedral μ<sub>6</sub>-sulfide templating Co<sub>8</sub> complexes with different distortions of the cube.","Chemical communications (Cambridge, England)","2020","56","30","4236","4239","10.1039/d0cc01320j","","","0.71073","MoKα","","0.048","0.0371","","","0.1199","0.1492","","","","","","1.242","","","","has coordinates","251569","2020-10-21","18:00:00",""
"7126409","11.453","0.0015","11.453","0.0015","22.637","0.003","90","","90","","120","","2571.5","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H28 Br12 Cu6 N4 Pb -","- C12 H28 Br12 Cu6 N4 Pb -","- C36 H84 Br36 Cu18 N12 Pb3 -","3","0.166667","","Jing, Chang-Qing; Wu, Jia-Hang; Cao, Yao-Yao; Che, Hang-Xin; Zhao, Xian-Mei; Yue, Meng; Liao, Yuan-Yuan; Yue, Cheng-Yang; Lei, Xiao-Wu","A three-dimensional cuprous lead bromide framework with highly efficient and stable thermochromic luminescence properties.","Chemical communications (Cambridge, England)","2020","56","44","5925","5928","10.1039/d0cc01779e","","","0.71073","MoKα","","0.0305","0.026","","","0.0616","0.063","","","","","","1.101","","","","has coordinates","252684","2020-10-21","18:00:00",""
"7126808","46.5535","0.0003","46.5535","0.0003","18.2299","0.0002","90","","90","","120","","34215.2","0.5","100","0.2","100","0.2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H214 Ca10 N10 Si4 -","- C102 H214 Ca10 N10 Si4 -","- C918 H1926 Ca90 N90 Si36 -","9","0.5","","Martin, Johannes; Eyselein, Jonathan; Langer, Jens; Elsen, Holger; Harder, Sjoerd","Large decanuclear calcium and strontium hydride clusters.","Chemical communications (Cambridge, England)","2020","56","64","9178","9181","10.1039/d0cc04330c","","x-ray","1.54184","CuKα","","0.0491","0.0442","","","0.1152","0.1209","","","","","","1.056","","","","has coordinates,has disorder","255967","2020-10-21","18:00:00",""
"7126816","21.265","0.002","21.265","0.002","69.25","0.008","90","","90","","120","","27119","5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H162 Cu12 N12 O48 -","- C204 H162 Cu12 N12 O48 -","- C612 H486 Cu36 N36 O144 -","3","0.166667","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1543","0.088","","","0.2481","0.2803","","","","","","1.151","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126817","26.357","0.006","26.357","0.006","56.276","0.013","90","","90","","120","","33857","13","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C828 H612 Mo36 N36 O180 -","- C828 H612 Mo36 N36 O180 -","- C828 H612 Mo36 N36 O180 -","1","0.0555556","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.1041","0.0949","","","0.306","0.318","","","","","","1.356","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7126820","35.9602","0.0019","35.9602","0.0019","36.207","0.002","90","","90","","120","","40548","4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C384 H216 Cu12 N24 O60 -","- C384 H216 Cu12 N24 O60 -","- C1152 H648 Cu36 N72 O180 -","3","0.166667","","Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.","Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.","Chemical communications (Cambridge, England)","2020","56","65","9352","9355","10.1039/d0cc03910a","","","1.54178","CuKα","","0.2874","0.175","","","0.4446","0.5072","","","","","","1.697","","","","has coordinates","256025","2020-10-21","18:00:00",""
"7127065","45.615","0.002","45.615","0.002","12.3835","0.0006","90","","90","","120","","22314.6","1.8","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C176 H172 N6 O12 S6 -","- C162 H156 N6 O12 S6 -","- C972 H936 N36 O72 S36 -","6","0.333333","","Andrés Castán, José María; Dalinot, Clément; Dayneko, Sergey; Abad Galan, Laura; Simón Marqués, Pablo; Alévêque, Olivier; Allain, Magali; Maury, Olivier; Favereau, Ludovic; Blanchard, Philippe; Welch, Gregory C.; Cabanetos, Clément","Synthesis, characterization and use of benzothioxanthene imide based dimers.","Chemical communications (Cambridge, England)","2020","56","70","10131","10134","10.1039/d0cc04556j","","","1.54184","CuKα","","0.1641","0.1118","","","0.3372","0.3908","","","","","","1.208","","","","has coordinates,has disorder","255946","2020-10-21","18:00:00",""
"7127300","30.2541","0.0005","30.2541","0.0005","10.0134","0.0002","90","","90","","120","","7937.4","0.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0262","0.0239","","","0.0625","0.0634","","","","","","1.079","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127301","30.4714","0.0003","30.4714","0.0003","10.0419","0.0001","90","","90","","120","","8074.79","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H14.33 N3 O2.67 Pt -","- C19 H13 N3 O2.6666 Pt -","- C342 H234 N54 O47.9988 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0216","0.0212","","","0.0579","0.0582","","","","","","1.142","","","","has coordinates,has disorder","260677","2021-01-07","04:50:51",""
"7127302","30.402","0.002","30.402","0.002","10.0404","0.0008","90","","90","","120","","8036.9","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C342 H234 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","x-ray","1.54184","CuKα","","0.0959","0.0719","","","0.1495","0.1599","","","","","","1.086","","","","has coordinates","260677","2021-01-07","04:50:51",""
"7127303","30.2896","0.0003","30.2896","0.0003","10.057","0.0001","90","","90","","120","","7990.72","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Schneider, Matthew L.; Linder-Patton, Oliver M; Bloch, Witold M.","A covalent deprotection strategy for assembling supramolecular coordination polymers from metal-organic cages.","Chemical communications (Cambridge, England)","2020","56","85","12969","12972","10.1039/d0cc05349j","","","1.54184","CuKα","","0.027","0.0259","","","0.0735","0.0742","","","","","","1.092","","","","has coordinates,has disorder","260677","2021-01-07","04:50:51",""
"7127315","30.2541","0.0005","30.2541","0.0005","10.0134","0.0002","90","","90","","120","","7937.4","0.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0262","0.0239","","","0.0625","0.0634","","","","","","1.079","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127316","30.4714","0.0003","30.4714","0.0003","10.0419","0.0001","90","","90","","120","","8074.79","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H14.33 N3 O2.67 Pt -","- C19 H13 N3 O2.6666 Pt -","- C342 H234 N54 O47.9988 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0216","0.0212","","","0.0579","0.0582","","","","","","1.142","","","","has coordinates,has disorder","260676","2021-01-07","04:50:19",""
"7127317","30.402","0.002","30.402","0.002","10.0404","0.0008","90","","90","","120","","8036.9","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 N3 O2 Pt -","- C19 H13 N3 O2 Pt -","- C342 H234 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","x-ray","1.54184","CuKα","","0.0959","0.0719","","","0.1495","0.1599","","","","","","1.086","","","","has coordinates","260676","2021-01-07","04:50:19",""
"7127318","30.2896","0.0003","30.2896","0.0003","10.057","0.0001","90","","90","","120","","7990.72","0.14","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 N3 O2 Pt -","- C21 H17 N3 O2 Pt -","- C378 H306 N54 O36 Pt18 -","18","1","","Kimura, Mari; Yoshida, Masaki; Fujii, Sho; Miura, Atsushi; Ueno, Kosei; Shigeta, Yasuhiro; Kobayashi, Atsushi; Kato, Masako","Liquid-liquid interface-promoted formation of a porous molecular crystal based on a luminescent platinum(II) complex.","Chemical communications (Cambridge, England)","2020","56","85","12989","12992","10.1039/d0cc04164e","","","1.54184","CuKα","","0.027","0.0259","","","0.0735","0.0742","","","","","","1.092","","","","has coordinates,has disorder","260676","2021-01-07","04:50:19",""
"7127491","13.0721","0.0003","13.0721","0.0003","63.6995","0.0019","90","","90","","120","","9426.6","0.4","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C119 H110 Cl4 Fe6 N12 O47 Zn4 -","- C119 H90 Cl4 Fe6 N12 O46.998 Zn4 -","- C357 H270 Cl12 Fe18 N36 O140.994 Zn12 -","3","0.166667","","Yang, Chao; Wang, Shenyu; Sai, Fusheng; Liu, Dingqi; Sun, Fuxing; Gu, Yu; Wu, Gang","Pentanuclear clusters resembling the cubane-dangler connectivity in the native oxygen-evolving center of photosystem II.","Chemical communications (Cambridge, England)","2021","57","1","113","116","10.1039/d0cc07050e","","","0.71073","MoKα","","0.053","0.0406","","","0.0957","0.1016","","","","","","1.031","","","","has coordinates,has disorder","261526","2021-02-04","22:27:58",""
"7127492","13.1328","0.0003","13.1328","0.0003","63.2624","0.0019","90","","90","","120","","9449.1","0.4","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C119 H110 Cl4 Fe6 Mn4 N12 O47 -","- C119 H90 Cl4 Fe6 Mn4 N12 O46.9998 -","- C357 H270 Cl12 Fe18 Mn12 N36 O140.999 -","3","0.166667","","Yang, Chao; Wang, Shenyu; Sai, Fusheng; Liu, Dingqi; Sun, Fuxing; Gu, Yu; Wu, Gang","Pentanuclear clusters resembling the cubane-dangler connectivity in the native oxygen-evolving center of photosystem II.","Chemical communications (Cambridge, England)","2021","57","1","113","116","10.1039/d0cc07050e","","","0.71073","MoKα","","0.0689","0.0526","","","0.13","0.1388","","","","","","1.081","","","","has coordinates,has disorder","261526","2021-02-04","22:27:58",""
"7127776","42.2108","0.0009","42.2108","0.0009","9.038","0.0003","90","","90","","120","","13946","0.6","150","0.1","150","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C194 H194 F194 Ir194 N194 O P -","- C468 H396 F180 Ir18 N126 P18 -","- C468 H396 F180 Ir18 N126 P18 -","1","0.0555556","","Yang, Jing; Fang, Hao-Ji; Cao, Qian; Mao, Zong-Wan","The design of cyclometalated iridium(iii)-metformin complexes for hypoxic cancer treatment.","Chemical communications (Cambridge, England)","2021","57","9","1093","1096","10.1039/d0cc07104h","","","0.71073","MoKα","","0.0811","0.0654","","","0.1534","0.164","","","","","","1.012","","","","has coordinates","261562","2021-02-04","22:43:46",""
"7127778","22.2753","0.0009","22.2753","0.0009","8.6405","0.0004","90","","90","","120","","3712.9","0.3","225","2","225","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H51 Br6 N12 O12 Sb -","- C36 H51 Br6 N12 O12 Sb -","- C108 H153 Br18 N36 O36 Sb3 -","3","0.166667","","Lin, Fang; Wang, Hao; Lin, Haoran; Liu, Wei; Li, Jing","An antimony based organic-inorganic hybrid coating material with high quantum efficiency and thermal quenching effect.","Chemical communications (Cambridge, England)","2021","57","14","1754","1757","10.1039/d0cc07392j","","","1.34139","GaKα","","0.0542","0.054","","","0.1649","0.165","","","","","","1.124","","","","has coordinates","262498","2021-03-05","01:21:37",""
"7127852","29.299","0.0012","29.299","0.0012","26.3901","0.0014","90","","90","","120","","19619","1.5","185","2","185.31","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C H Au Cl N O -","- C2.57143 H3.46428 Au0.107143 Cl0.428571 N1.71429 O1.32143 -","- C432 H581.999 Au18 Cl72 N288 O222 -","168","9.33333","","Song, Xianmeng; Cao, Minna; Chen, Ruru; Wang, Huimin; Li, Hongfang; Cao, Rong","Enhanced selectivity and stability towards CO<sub>2</sub> reduction of sub-5 nm Au NPs derived from supramolecular assembly.","Chemical communications (Cambridge, England)","2021","57","20","2491","2494","10.1039/d0cc08353d","","","0.71073","MoKα","","0.0676","0.0453","","","0.1157","0.1268","","","","","","1.026","","","","has coordinates","263644","2021-04-05","14:01:30",""
"7127960","25.0072","0.0012","25.0072","0.0012","55.114","0.002","90","","90","","120","","29849","2","298.3","1","298.3","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C309 H276 Cl32 Mn40 N150 O33 -","- C309 H276 Cl32 Mn40 N150 O33 -","- C927 H828 Cl96 Mn120 N450 O99 -","3","0.166667","","Wu, Tai-Xue; Tao, Ye; He, Qiu-Ju; Li, Hai-Ye; Bian, He-Dong; Huang, Fu-Ping","Constructing an unprecedented {Mn<sup>II</sup><sub>38</sub>} matryoshka doll with a [Mn<sub>18</sub>(CO<sub>3</sub>)<sub>9</sub>] inorganic core and magnetocaloric effect.","Chemical communications (Cambridge, England)","2021","57","22","2732","2735","10.1039/d0cc07884k","","x-ray","1.54184","CuKα","","0.1854","0.1009","","","0.2738","0.3433","","","","","","1.027","","","","has coordinates,has disorder","263620","2021-04-05","13:53:23",""
"7127988","32.8416","0.0015","32.8416","0.0015","9.779","0.0005","90","","90","","120","","9134.3","0.8","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 Cl N2 O6 -","- C21 H17 Cl N2 O6 -","- C378 H306 Cl18 N36 O108 -","18","1","","Duan, Jindian; Mao, Yiyang; Xian, Anmei; Rong, Binsen; Xu, Gaochen; Li, Zhenjiang; Zhao, Lili; Zhu, Ning; Guo, Kai","Copper-catalyzed regioselective [3+2] annulation of malonate-tethered acyl oximes with isatins.","Chemical communications (Cambridge, England)","2021","57","27","3379","3382","10.1039/d0cc07995b","","","0.71073","MoKα","","0.0759","0.051","","","0.1348","0.1552","","","","","","1.017","","","","has coordinates","263628","2021-04-05","13:55:31",""
"7128154","33.345","0.004","33.345","0.004","17.251","0.003","90","","90","","120","","16611","4","100","","100","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C37 H33 B F3 N7 O2 S Zn -","- C37 H33 B F3 N7 O2 S Zn -","- C666 H594 B18 F54 N126 O36 S18 Zn18 -","18","1","","Prosser, Kathleen E.; Kohlbrand, Alysia J.; Seo, Hyeonglim; Kalaj, Mark; Cohen, Seth M.","<sup>19</sup>F-Tagged metal binding pharmacophores for NMR screening of metalloenzymes.","Chemical communications (Cambridge, England)","2021","57","40","4934","4937","10.1039/d1cc01231b","","","0.71073","MoKα","","0.0585","0.0392","","","0.0906","0.0995","","","","","","1.03","","","","has coordinates","265882","2021-06-05","17:28:28",""
"7128447","19.1878","0.0009","19.1878","0.0009","15.6298","0.0014","90","","90","","120","","4983.5","0.6","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","[(Cp*)ScMe]3(CH)","","","- C34 H55 Sc3 -","- C34 H55 Sc3 -","- C204 H330 Sc18 -","6","0.333333","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.047","0.041","","","0.1118","0.1176","","","","","","1.069","","","","has coordinates","267011","2021-07-05","16:15:32",""
"7128507","47.954","0.002","47.954","0.002","13.5821","0.001","90","","90","","120","","27049","3","90","","90","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C51.37 H64.89 N O6.63 -","- C51.369 H64.886 N O6.633 -","- C924.642 H1167.95 N18 O119.394 -","18","1","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.","Chemical communications (Cambridge, England)","2021","57","57","6983","6986","10.1039/d1cc02691g","","","0.71073","MoKα","","0.145","0.1069","","","0.2897","0.3237","","","","","","1.035","","","","has coordinates,has disorder","268544","2021-09-06","09:12:29",""
"7128527","13.184","0.004","13.184","0.004","25.133","0.01","90","","90","","120","","3783","2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H13 F15 N5 V -","- C24 H13 F15 N5 V -","- C144 H78 F90 N30 V6 -","6","0.333333","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.2272","0.0836","","","0.0632","0.0814","","","","","","1.093","","","","has coordinates","268517","2021-09-06","09:05:40",""
"7128528","36.734","0.014","36.734","0.014","27.197","0.01","90","","90","","120","","31783","2","100","2","100.03","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H14 B F25 K N6 V -","- C36 H14 B F25 K N6 V -","- C648 H252 B18 F450 K18 N108 V18 -","18","1","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.2326","0.0846","","","0.2049","0.2798","","","","","","0.852","","","","has coordinates","268517","2021-09-06","09:05:49",""
"7128597","20.185","0.003","20.185","0.003","21.625","0.005","90","","90","","120","","7630","2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H17 F N2 O2 S2 -","- C16 H17 F N2 O2 S2 -","- C288 H306 F18 N36 O36 S36 -","18","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0934","0.0546","","","0.1106","0.1225","","","","","","0.974","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128759","15.1578","0.0005","15.1578","0.0005","31.4738","0.0012","90","","90","","120","","6262.6","0.4","120","0.2","120","0.2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H97 Cl8 Fe15 N8 O39 -","- C48 H97.0002 Cl8 Fe15 N8 O39.0002 -","- C144 H291.001 Cl24 Fe45 N24 O117.001 -","3","0.166667","","Cutler, Daniel J.; Singh, Mukesh K.; Nichol, Gary S.; Evangelisti, Marco; Schnack, Jürgen; Cronin, Leroy; Brechin, Euan K.","[Fe<sub>15</sub>]: a frustrated, centred tetrakis hexahedron.","Chemical communications (Cambridge, England)","2021","57","71","8925","8928","10.1039/d1cc03919a","","x-ray","0.71073","MoKα","","0.0756","0.0646","","","0.1348","0.14","","","","","","1.134","","","","has coordinates,has disorder","269661","2021-10-06","14:01:55",""
"7129114","27.561","0.001","27.561","0.001","17.9581","0.0006","90","","90","","120","","11813.6","0.7","233","","233","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 I2 O11 Zn2 -","- C20 H16 I2 O11 Zn2 -","- C360 H288 I36 O198 Zn36 -","18","1","","Harada, Yuki; Kusaka, Shinpei; Nakajo, Toshinobu; Kumagai, Jun; Kim, Cho Rong; Shim, Joo Young; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Stabilization of Radical Active Species in a MOF Nanospace to Exploit Unique Reaction Pathways","Chemical Communications","2021","","","","","10.1039/D1CC04267J","","x-ray","0.71073","MoKα","","0.1167","0.1068","","","0.3737","0.3887","","","","","","1.823","","","","has coordinates,has disorder","269951","2021-10-14","21:56:42",""
"7129210","42.7113","0.0009","42.7113","0.0009","58.4319","0.0008","90","","90","","120","","92314","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C107.75 H145.85 Mn23 N13.25 O68.05 -","- C107.75 H130 Mn23 N13.25 O68.05 -","- C1939.5 H2340 Mn414 N238.5 O1224.9 -","18","1","","Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","High nuclearity structurally – related Mn supertetrahedral T4 aggregates","Chemical Communications","2021","","","","","10.1039/D1CC01815A","","","0.71073","MoKα","","0.0973","0.072","","","0.2171","0.2433","","","","","","1.037","","","","has coordinates,has disorder","270528","2021-11-08","22:57:20",""
"7129473","12.6733","0.0001","12.6733","0.0001","17.5398","0.0002","90","","90","","120","","2439.69","0.04","100","0.1","100","0.1","","","","","","","","8","R -3 :H","-R 3","148","","","","- C32 H24 B2 F6 N6 O6 Ru S2 -","- C31.9998 H24 B2 F5.9994 N6 O5.9994 Ru S1.9998 -","- C95.9994 H72 B6 F17.9982 N18 O17.9982 Ru3 S5.9994 -","3","0.166667","","Goura, Joydeb; McQuade, James; Shimoyama, Daisuke; Lalancette, Roger A.; Sheridan, John B.; Jaekle, Frieder","Electrophilic and Nucleophilic Displacement Reactions at the Bridgehead Borons of Tris(pyridyl)borate Scorpionate Complexes","Chemical Communications","2022","","","","","10.1039/D1CC06181J","","x-ray","1.54184","CuKα","","0.0336","0.0335","","","0.0938","0.0939","","","","","","1.131","","","","has coordinates,has disorder","271622","2021-12-24","23:09:59",""
"7129475","35.524","0.0004","35.524","0.0004","9.9139","0.0001","90","","90","","120","","10834.7","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 N6 Ru -","- C50 H50 B2 N6 Ru -","- C450 H450 B18 N54 Ru9 -","9","0.5","","Goura, Joydeb; McQuade, James; Shimoyama, Daisuke; Lalancette, Roger A.; Sheridan, John B.; Jaekle, Frieder","Electrophilic and Nucleophilic Displacement Reactions at the Bridgehead Borons of Tris(pyridyl)borate Scorpionate Complexes","Chemical Communications","2022","","","","","10.1039/D1CC06181J","","","1.54178","CuKα","","0.0403","0.0343","","","0.0905","0.0919","","","","","","1.023","","","","has coordinates","271622","2021-12-24","23:10:13",""
"7129919","32.3438","0.0003","32.3438","0.0003","18.034","0.00019","90","","90","","120","","16338.2","0.3","100","2","100.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H96 Cu24 F72 O72 -","- C204 H96 Cu24 F72 O72 -","- C612 H288 Cu72 F216 O216 -","3","0.166667","","Guo, You-Shi; Zhan, Shun-Ze; Zhong, Jia-Jing; Lu, Weigang; Ng, Seik Weng; Li, Dan","Regioisomeric Core-shell Cuprofullerene C60@Cu24","Chemical Communications","2022","","","","","10.1039/D2CC00683A","","","1.54184","CuKα","","0.0445","0.0411","","","0.121","0.1237","","","","","","1.04","","","","has coordinates","274329","2022-04-04","21:54:50",""
"7130336","26.59","","26.59","","43.61","","90","","90","","120","","26702.6","","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C228 H264 N12 O66 Rh12 -","- C228 H264 N12 O66 Rh12 -","- C684 H792 N36 O198 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82653","synchrotron","","0.1042","0.0806","","","0.2688","0.297","","","","","","1.058","","","","has coordinates","276785","2022-07-22","22:08:23",""
"7130337","28.4941","0.0002","28.4941","0.0002","46.495","0.0005","90","","90","","120","","32692.4","0.5","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H168 N18 O72 Rh12 -","- C204 H168 N18 O72 Rh12 -","- C612 H504 N54 O216 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1821","0.1742","","","0.4732","0.5059","","","","","","2.486","","","","has coordinates","276785","2022-07-22","22:08:23",""
"7130338","33.9017","0.0002","33.9017","0.0002","23.6843","0.0007","90","","90","","120","","23574","0.7","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C234 H252 N24 O60 Rh12 -","- C234 H252 N24 O60 Rh12 -","- C702 H756 N72 O180 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1094","0.0806","","","0.2342","0.2602","","","","","","0.985","","","","has coordinates,has disorder","276785","2022-07-22","22:08:23",""
"7130339","29.1065","0.0005","29.1065","0.0005","56.2463","0.0009","90","","90","","120","","41267.2","1.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H120 N6 O66 Rh12 -","- C204 H120 N6 O66 Rh12 -","- C612 H360 N18 O198 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.0864","0.0648","","","0.2102","0.2286","","","","","","1.029","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130394","33.158","0.0013","33.158","0.0013","31.9101","0.0017","90","","90","","120","","30383","2","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C370 H456 N20 O60 Ti12 -","- C358 H437.999 N14 O60 Ti12 -","- C1074 H1314 N42 O180 Ti36 -","3","0.166667","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","0.71073","MoKα","","0.1211","0.0733","","","0.1856","0.2075","","","","","","0.977","","","","has coordinates,has disorder","276923","2022-07-25","21:55:58",""
"7130872","21.14","0.0007","21.14","0.0007","67.0247","0.0016","90","","90","","120","","25940.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","C1","","- C120.39 H94.58 Cl8 Fe4 N28.2 O32.99 -","- C120.372 H94.5492 Cl7.998 Fe4 N28.186 O32.992 -","- C722.232 H567.295 Cl47.988 Fe24 N169.116 O197.952 -","6","0.333333","","Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.","Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron","Chemical Communications","2022","","","","","10.1039/D2CC04624E","","x-ray","0.6889","Synchrotron","","0.1947","0.1384","","","0.3692","0.4153","","","","","","1.244","","","","has coordinates,has disorder","278628","2022-10-18","21:59:08",""
"7130926","31.2235","0.0003","31.2235","0.0003","15.7464","0.0001","90","","90","","120","","13294.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C102 H92 N6 O15 -","- C96 H81.75 N3 O15 -","- C576 H490.5 N18 O90 -","6","0.333333","","Liu, Ao; Meng, Xin; Shen, Chen-Chen; Zhang, Zhi-Yuan; Li, Chunju","Facile synthesis of heterogeneous macrocycles for intramolecular energy transfer","Chemical Communications","2022","","","","","10.1039/D2CC04673C","","","1.54184","CuKα","","0.0397","0.0359","","","0.095","0.0971","","","","","","1.049","","","","has coordinates,has disorder","278819","2022-10-26","22:17:48",""
"7131499","17.7435","0.0007","17.7435","0.0007","71.981","0.002","90","","90","","120","","19625.8","1.2","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H120 Cl2 N9 O20 Zr6 -","- C120 H120 Cl2 N9 O20 Zr6 -","- C720 H720 Cl12 N54 O120 Zr36 -","6","0.333333","","Nakajo, Toshinobu; Kusaka, Shinpei; Hiraoka, Haruka; Nomura, Kohei; Matsubara, Noriaki; Baba, Rintaro; Yoshida, Yuki; Nakamoto, Kosuke; Honma, Masakazu; Iguchi, Hiroaki; Uchihashi, Takayuki; Abe, Hiroshi; Matsuda, Ryotaro","Creation of single molecular conjugates of metal-organic cages and DNA.","Chemical communications (Cambridge, England)","2023","59","33","4974","4977","10.1039/d3cc00460k","","x-ray","0.71073","MoKα","","0.1272","0.0758","","","0.2167","0.2533","","","","","","1.045","","","","has coordinates,has disorder","283028","2023-05-05","00:06:56",""
"7131500","18.984","0.001","18.984","0.001","51.415","0.002","90","","90","","120","","16047.1","1.3","297","","297","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H96 Cl2 N9 O20 Zr6 -","- C84 H96 Cl2 N9 O20 Zr6 -","- C504 H576 Cl12 N54 O120 Zr36 -","6","0.333333","","Nakajo, Toshinobu; Kusaka, Shinpei; Hiraoka, Haruka; Nomura, Kohei; Matsubara, Noriaki; Baba, Rintaro; Yoshida, Yuki; Nakamoto, Kosuke; Honma, Masakazu; Iguchi, Hiroaki; Uchihashi, Takayuki; Abe, Hiroshi; Matsuda, Ryotaro","Creation of single molecular conjugates of metal-organic cages and DNA.","Chemical communications (Cambridge, England)","2023","59","33","4974","4977","10.1039/d3cc00460k","","x-ray","0.71073","MoKα","","0.1963","0.0772","","","0.1825","0.2389","","","","","","0.928","","","","has coordinates,has disorder","283028","2023-05-05","00:06:59",""
"7131739","23.399","0.0007","23.399","0.0007","57.171","0.004","90","","90","","120","","27108","2","90.15","","90.15","","","","","","","","","7","R -3 :H","-R 3","148","","Cu58","","- C270 H414 B Cu58 F4 P8 S36 -","- C270 H414 B2 Cu58 F8 P8 S36 -","- C810 H1242 B6 Cu174 F24 P24 S108 -","3","0.166667","","Biswas, Sourav; Hossain, Sakiat; Kosaka, Taiga; Sakai, Jin; Arima, Daichi; Niihori, Yoshiki; Mitsui, Masaaki; Jiang, De-en; Das, Saikat; Wang, Song; Negishi, Yuichi","Nested Keplerian architecture of [Cu58H20(SPr)36(PPh3)8]2+ nanocluster","Chemical Communications","2023","","","","","10.1039/D3CC01811C","","","0.71073","MoKα","","0.1114","0.0587","","","0.1672","0.2028","","","","","","1.064","","","","has coordinates","284539","2023-06-29","07:55:16",""
"7131925","30.0348","0.0004","30.0348","0.0004","38.1116","0.0009","90","","90","","120","","29774","0.9","123.02","0.1","123.02","0.1","","","","","","","","8","R -3 :H","-R 3","148","","","","- C344.4 H412.8 Br32 Cl4.8 Cu32 Fe6 N6 P30 -","- C344.4 H412.8 Br32 Cl4.8 Cu31.9996 Fe6 N6 P30 -","- C1033.2 H1238.4 Br96 Cl14.4 Cu95.9988 Fe18 N18 P90 -","3","0.166667","","Heinl, Sebastian; Peresypkina, Eugenia V.; Kremer, Werner; Scheer, Manfred","A lens-shaped supramolecule based on the bulky pentaphosphaferrocene [CpBIGFe(η5-P5)] and CuBr2","Chemical Communications","2023","","","","","10.1039/D3CC03244B","","","1.54178","CuKα","","0.0552","0.0492","","","0.1553","0.1581","","","","","","1.07","","","","has coordinates,has disorder","285351","2023-07-26","21:56:31",""
"7132311","21.0331","0.0002","21.0331","0.0002","58.251","0.0012","90","","90","","120","","22317.2","0.5","150","0.2","150","0.2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C153 H147 F27 N51 O27 Pb6 S9 -","- C153 H147 F27 N51 O27 Pb6 S9 -","- C459 H441 F81 N153 O81 Pb18 S27 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","0.71073","MoKα","","0.0986","0.0515","","","0.1425","0.1623","","","","","","1.016","","","","has coordinates,has disorder","287473","2023-11-07","23:00:36",""
"7132312","21.0435","0.0006","21.0435","0.0006","58.507","0.003","90","","90","","120","","22437.5","1.5","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C146 H138 F30 N48 O24 P Pb6 S8 -","- C146 H138 F30 N48 O24 P Pb6 S8 -","- C438 H414 F90 N144 O72 P3 Pb18 S24 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","0.71073","MoKα","","0.0478","0.0403","","","0.1171","0.122","","","","","","1.01","","","","has coordinates,has disorder","287473","2023-11-07","23:00:37",""
"7132313","21.1054","0.0002","21.1054","0.0002","51.1319","0.001","90","","90","","120","","19724.7","0.5","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C141 H132 F36 N48 O36 Pb6 S12 -","- C141 H132 F36 N48 O36 Pb6 S12 -","- C423 H396 F108 N144 O108 Pb18 S36 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","1.34143","GaKα","","0.1044","0.08","","","0.2498","0.273","","","","","","1.043","","","","has coordinates,has disorder","287473","2023-11-07","23:00:37",""
"7132315","21.1133","0.0006","21.1133","0.0006","51.25","0.003","90","","90","","120","","19785","1.4","120","2","120","2","","","","","","","","12","R -3 :H","-R 3","148","","","","- C134 H132 F30 N48 O24 P Pb6 S8 en lv so t -","- C134 H132 F30 N48 O24 P Pb6 S8 -","- C402 H396 F90 N144 O72 P3 Pb18 S24 -","3","0.166667","","Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail","Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc00137g","","","0.71073","MoKα","","0.0486","0.0395","","","0.1097","0.1158","","","","","","1.024","","","","has coordinates,has disorder","287473","2023-11-07","23:00:37",""
"7132771","37.3204","0.0019","37.3204","0.0019","9.7227","0.0006","90","","90","","120","","11727.6","1.1","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26.68 H32.49 N6 O1.56 -","- C26.686 H32.496 N6 O1.562 -","- C480.348 H584.928 N108 O28.116 -","18","1","","Kang, Xiang; Zhang, Mingtao; Tang, Weiwei; Gong, Junbo","Growth ""self-inhibition"" of irbesartan desmotrope: surface intra-annular tautomer inter-conversion is the culprit.","Chemical communications (Cambridge, England)","2024","60","26","3511","3514","10.1039/d3cc06170a","","x-ray","1.54184","CuKα","","0.0782","0.0615","","","0.1628","0.1719","","","","","","1.06","","","","has coordinates,has disorder","291533","2024-05-05","01:03:05",""
"7132961","37.256","0.006","37.256","0.006","5.1212","0.0011","90","","90","","120","","6155.9","1.9","170","","170","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H34 S2 -","- C34 H34 S2 -","- C306 H306 S18 -","9","0.5","","Su, Yangzhe; Wang, Min; Xu, Jianping; Chen, Weinan; Zhou, Gang","C-H Arylation of Thiopyran Derivatives with Aryl Halides","Chemical Communications","2024","","","","","10.1039/D4CC00719K","","","0.71073","MoKα","","0.1364","0.0694","","","0.1313","0.1663","","","","","","1.046","","","","has coordinates","291232","2024-04-16","22:04:56",""
"7151006","23.2536","0.001","23.2536","0.001","17.77","0.0011","90","","90","","120","","8321.4","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H16 N5 O2.33 -","- C21 H16 N5 O2.33333 -","- C378 H288 N90 O42 -","18","1","","Guan, Xiao-Yang; Shi, Min","A convenient three-component reaction leading to the synthesis of polysubstituted cyclohexene derivatives","Organic & Biomolecular Chemistry","2008","6","19","3616","3620","10.1039/b810299f","","","0.71073","MoKα","","0.0744","0.0514","","","0.133","0.1418","","","","","","1.02","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151798","18.7761","0.0016","18.7761","0.0016","43.329","0.004","90","","90","","120","","13229","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H19 N O -","- C9 H19 N O -","- C486 H1026 N54 O54 -","54","3","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0781","0.042","","","0.0861","0.0993","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151874","26.535","0.003","26.535","0.003","13.671","0.002","90","","90","","120","","8336.2","1.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","1-hydroxy2,4, 6-triiphenylpiperazine","1-hydroxy2,4, 6-triiphenylpiperazine","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C396 H396 N36 O18 -","18","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","0.71073","MoKα","","0.0993","0.0615","","","0.1764","0.1962","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152810","23.896","0.007","23.896","0.007","30.268","0.009","90","","90","","120","","14968","8","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C112 H102 Cl4 N6 O6 S6 -","- C112 H102 Cl4 N6 O6 S6 -","- C672 H612 Cl24 N36 O36 S36 -","6","0.333333","","Sharma, Sanyog; Hundal, Maninder Singh; Hundal, Geeta","Dual channel chromo/fluorogenic chemosensors for cyanide and fluoride ions‒an example of in situ acid catalysis of the Strecker reaction for cyanide ion chemodosimetry.","Organic & biomolecular chemistry","2013","11","4","654","661","10.1039/c2ob27096j","","","0.71069","MoKα","","0.126","0.0683","","","0.2042","0.2613","","","","","","0.996","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7153252","20.3573","0.0004","20.3573","0.0004","31.9361","0.0012","90","","90","","120","","11461.8","0.5","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","04srv178 - HY/5/35-Fr50-r","","","- C23 H34 O5 P2 -","- C23 H34 O5 P2 -","- C414 H612 O90 P36 -","18","1","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.0637","0.0455","","","0.101","0.1088","","","","","","1.046","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153357","26.389","0.002","26.389","0.002","23.753","0.001","90","","90","","120","","14325","1.6","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C36 H40 N6 O2 -","- C36 H33 N6 O2 -","- C648 H594 N108 O36 -","18","1","","Seillan, Claire; Marsal, Philippe; Siri, Olivier","New class of highly stable nonaromatic tautomers.","Organic & biomolecular chemistry","2010","8","17","3882","3887","10.1039/c003450a","","","0.71073","MoKα","","0.2421","0.1161","","","0.2621","0.3356","","","","","","1.022","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153563","32.2169","0.001","32.2169","0.001","20.2356","0.0013","90","","90","","120","","18189.2","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H36 Cl N2 O3 Rh -","- C37 H36 Cl N2 O3 Rh -","- C666 H648 Cl18 N36 O54 Rh18 -","18","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.1191","0.0472","","","0.0838","0.0877","","","","","","0.994","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153816","27.7895","0.0008","27.7895","0.0008","8.9482","0.0003","90","","90","","120","","5984.5","0.3","120","1","120","1","","","","","","","see text","4","R -3 :H","-R 3","148","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C306 H252 N36 O18 -","18","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0679","0.0509","","","0.1518","0.1644","","","","","","1.083","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153891","34.5934","0.0006","34.5934","0.0006","8.2566","0.0003","90","","90","","120","","8556.9","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H42 N2 O6 Rh2 -","- C38 H42 N2 O6 Rh2 -","- C342 H378 N18 O54 Rh18 -","9","0.5","","Lam, Hon-Wah; Man, Ka-Yi; Chan, Wai-Wing; Zhou, Zhongyuan; Yu, Wing-Yiu","Rhodium(iii)-catalyzed formal oxidative [4 + 1] cycloaddition of benzohydroxamic acids and α-diazoesters. A facile synthesis of functionalized benzolactams.","Organic & biomolecular chemistry","2014","12","24","4112","4116","10.1039/c4ob00512k","","","0.71073","MoKα","","0.0885","0.0649","","","0.1959","0.2312","","","","","","1.004","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7154762","19.6192","0.0013","19.6192","0.0013","22.6973","0.0015","90","","90","","120","","7566","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H22 Br6 N3 -","- C8 H19 Br3.5 N3 -","- C144 H342 Br63 N54 -","18","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0547","0.045","","","0.1347","0.1404","","","","","","1.095","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154966","19.3483","0.0006","19.3483","0.0006","6.2252","0.0003","90","","90","","120","","2018.22","0.13","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C35 H23 N -","- C35.04 H23.04 N0.96 -","- C105.12 H69.12 N2.88 -","3","0.166667","","Van Raden, J. M.; Darzi, E. R.; Zakharov, L. N.; Jasti, R.","Synthesis and characterization of a highly strained donor-acceptor nanohoop.","Organic & biomolecular chemistry","2016","14","24","5721","5727","10.1039/c6ob00133e","","","1.54178","CuKα","","0.0562","0.0422","","","0.0967","0.1013","","","","","","1.075","","","","has coordinates","183765","2020-10-21","18:00:00",""
"7155997","24.68","0.0009","24.68","0.0009","101.978","0.005","90","","90","","120","","53793","4","100.01","0.1","100.01","0.1","","","","","","","","3","R -3 :H","-R 3","148","FRP-6","","","- C300 H324 N12 -","- C300 H324 N12 -","- C1800 H1944 N72 -","6","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","","1.54184","CuKα","","0.1743","0.126","","","0.3615","0.4099","","","","","","1.231","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7156736","20.6684","0.0013","20.6684","0.0013","24.235","0.002","90","","90","","120","","8965.8","1.1","216","2","216","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H110 N24 Ni6 O9 S12 -","- C81 H108 N24 Ni6 O9 S12 -","- C243 H324 N72 Ni18 O27 S36 -","3","0.166667","","Zhang, Meng-Juan; Li, Hong-Xi; Young, David J.; Li, Hai-Yan; Lang, Jian-Ping","Reaction condition controlled nickel(ii)-catalyzed C-C cross-coupling of alcohols.","Organic & biomolecular chemistry","2019","17","14","3567","3574","10.1039/c9ob00418a","","","0.71073","MoKα","","0.0798","0.0458","","","0.1163","0.1251","","","","","","1.001","","","","has coordinates","225202","2020-10-21","18:00:00",""
"7156886","36.646","0.002","36.646","0.002","17.5414","0.0013","90","","90","","120","","20401","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H40 Cl2 N4 O4 -","- C48 H40 Cl2 N4 O4 -","- C864 H720 Cl36 N72 O72 -","18","1","","Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya","meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.","Organic & biomolecular chemistry","2019","17","25","6131","6135","10.1039/c9ob01062a","","","0.71073","MoKα","","0.1589","0.1119","","","0.2936","0.3293","","","","","","1.151","","","","has coordinates","225177","2020-10-21","18:00:00",""
"7157055","28.608","0.003","28.608","0.003","11.5472","0.0012","90","","90","","120","","8184.3","1.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C432 H396 N36 O18 -","18","1","","Xu, Shengbo; Qiao, Shanshan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","Rhodium-catalyzed C-H activation/annulation of amidines with 4-diazoisochroman-3-imines toward isochromeno[3,4-c]isoquinolines.","Organic & biomolecular chemistry","2019","17","36","8417","8424","10.1039/c9ob01612k","","","1.34139","GaKα","","0.072","0.0577","","","0.1626","0.1796","","","","","","1.028","","","","has coordinates","225266","2020-10-21","18:00:00",""
"7157181","27.319","0.0006","27.319","0.0006","19.5324","0.0004","90","","90","","120","","12624.5","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H36 Cl N3 O Pd Se -","- C24 H36 Cl N3 O Pd Se -","- C432 H648 Cl18 N54 O18 Pd18 Se18 -","18","1","","Sharma, Kamal Nayan; Satrawala, Naveen; Srivastava, Avinash Kumar; Ali, Munsaf; Joshi, Raj Kumar","Palladium(ii) ligated with a selenated (Se, C<sub>NHC</sub>, N<sup>-</sup>)-type pincer ligand: an efficient catalyst for Mizoroki-Heck and Suzuki-Miyaura coupling in water.","Organic & biomolecular chemistry","2019","17","40","8969","8976","10.1039/c9ob01674k","","","0.71073","MoKα","","0.0724","0.0578","","","0.175","0.1876","","","","","","1.059","","","","has coordinates","223419","2020-10-21","18:00:00",""
"7157639","23.7837","0.0004","23.7837","0.0004","21.6038","0.0004","90","","90","","120","","10583.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N2 O3 S4 -","- C22 H18 N2 O3 S4 -","- C396 H324 N36 O54 S72 -","18","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0367","0.0342","","","0.098","0.0996","","","","","","1.074","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7158556","41.083","0.006","41.083","0.006","8.1322","0.001","90","","90","","120","","11887","3","273","2","273","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C29 H29 N O7 S -","- C29 H29 N O7 S -","- C522 H522 N18 O126 S18 -","18","1","","More, Satish Govind; Suryavanshi, Gurunath M.","Lewis acid triggered N-alkylation of sulfoximines through nucleophilic ring-opening of donor-acceptor cyclopropanes: synthesis of γ-sulfoximino malonic diesters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00213B","","","0.71073","MoKα","","0.0394","0.0323","","","0.0681","0.0742","","","","","","0.603","","","","has coordinates","273467","2022-03-06","01:37:15",""
"7158924","47.0846","0.0012","47.0846","0.0012","10.6294","0.0005","90","","90","","120","","20407.8","1.2","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","macrocycle","","- C48 H44 N4 O10 -","- C48 H44 N4 O10 -","- C864 H792 N72 O180 -","18","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","0.71073","MoKα","","0.0853","0.0589","","","0.1409","0.1556","","","","","","1.032","","","","has coordinates","278559","2022-10-13","00:50:35",""
"7159782","36.9306","0.0009","36.9306","0.0009","6.4911","0.0002","90","","90","","120","","7666.9","0.4","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C378 H324 O72 -","18","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","","0.71073","MoKα","","0.055","0.0466","","","0.1242","0.1294","","","","","","1.067","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7200325","21.5594","0.0012","21.5594","0.0012","14.9195","0.0016","90","","90","","120","","6005.6","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H78 Cd2 N28 O18 -","- C66 H66 Cd2 N28.02 O18.06 -","- C198 H198 Cd6 N84.06 O54.18 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.0797","0.0691","","","0.2181","0.2287","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200326","21.297","0.006","21.297","0.006","15.38","0.004","90","","90","","120","","6041","3","200","","200","","","","","","","","","6","R -3 :H","-R 3","148","(Cd2(L)3)(ClO4)4-2(H2O)","[Cd2(L)3](ClO4)4-2(H2O)","","- C66 H70 Cd2 Cl4 N24 O18 -","- C66 H66 Cd2 Cl4.02 N24 O18.12 -","- C198 H198 Cd6 Cl12.06 N72 O54.36 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0781","0.0589","","","0.1175","0.1249","","","","","","1.073","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200327","21.218","0.005","21.218","0.005","15.259","0.004","90","","90","","120","","5949","3","200","","200","","","","","","","","","7","R -3 :H","-R 3","148","(Cd2(L)3)(BF4)4-2(H2O)","[Cd2(L)3](BF4)4-2(H2O)","","- C66 H70 B4 Cd2 F16 N24 O2 -","- C66 H66 B4.02 Cd2 F16.08 N24 O2.04 -","- C198 H198 B12.06 Cd6 F48.24 N72 O6.12 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0554","0.041","","","0.1002","0.1069","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200413","38.3092","0.0006","38.3092","0.0006","47.3977","0.0013","90","","90","","120","","60241","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H28 Mg2 O13 -","- C40 H28 Mg2 O13 -","- C1440 H1008 Mg72 O468 -","36","2","","Volkringer, Christophe; Loiseau, Thierry; Marrot, Jérôme; Férey, Gérard","A MOF-type magnesium benzene-1,3,5-tribenzoate with two-fold interpenetrated ReO3 nets","CrystEngComm","2009","11","1","58","","10.1039/b814943g","","","0.71073","MoKα","","0.1697","0.0647","","","0.1555","0.1849","","","","","","0.929","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200425","17.1568","0.0012","17.1568","0.0012","27.247","0.003","90","","90","","120","","6945.8","1","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C74 H89 Co6 N13 Na2 O32 S6 -","- C74 H89 Co6 N13 Na2 O32 S6 -","- C222 H267 Co18 N39 Na6 O96 S18 -","3","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.0856","0.0515","","","0.1455","0.1732","","","","","","1.022","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200843","8.838","0.001","8.838","0.001","13.532","0.003","90","","90","","120","","915.4","0.3","296","2","296","2","300000","","","","","","","5","R -3 :H","-R 3","148","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","","- C6 H8 F4 I2 O2 -","- C6 H7.92 F3.96 I2 O2 -","- C18 H23.76 F11.88 I6 O6 -","3","0.166667","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.1451","0.1335","","","0.3502","0.3668","","","","","","1.44","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200998","36","0.001","36","0.001","6.213","0.005","90","","90","","120","","6973","6","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H22 N8 -","- C34 H22 N8 -","- C306 H198 N72 -","9","0.5","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0498","0.0408","","","0.1077","0.1125","","","","","","1.038","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201344","29.411","0.01","29.411","0.01","8.116","0.003","90","","90","","120","","6080","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H12 In N O8 -","- C8 H12 In N O8 -","- C144 H216 In18 N18 O144 -","18","1","","Gao, Qiang; Wu, Ming-Yan; Huang, You-Gui; Chen, Lian; Wei, Wei; Zhang, Qing-Fu; Jiang, Fei-Long; Hong, Mao-Chun","Double-walled tubular metal‒organic frameworks constructed from bi-strand helices","CrystEngComm","2009","11","9","1831","","10.1039/b909731g","","","0.71073","MoKα","","0.0667","0.0462","","","0.0994","0.1078","","","","","","1.088","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201925","33.9078","0.001","33.9078","0.001","5.6754","0.0002","90","","90","","120","","5651","0.3","120","","120","2","","","","","","","","4","R -3 :H","-R 3","148","Cytenamide form I","5H-Dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H13 N O -","- C16 H13 N O -","- C288 H234 N18 O18 -","18","1","","Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.","Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue","CrystEngComm","2008","10","7","811","","10.1039/b719717a","","","0.71073","MoKα","","0.1461","0.071","","0.215","0.1685","0.215","","","","","","0.9575","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201969","16.161","0.0012","16.161","0.0012","16.59","0.002","90","","90","","120","","3752.4","0.6","198","2","198","2","","","","","","","","5","R -3 :H","-R 3","148","Zinc(ii) stilbenedicarboxyl dimethylamide","","","- C54 H44 N2 O14 Zn3 -","- C53.94 H43.86 N1.98 O14 Zn3 -","- C161.82 H131.58 N5.94 O42 Zn9 -","3","0.166667","","Kim, Hyunuk; Park, Gyungse; Kim, Kimoon","Two-dimensional metal‒organic network with an unusual 36 topology and a cubic close packing pattern","CrystEngComm","2008","10","8","954","","10.1039/b801536h","","","0.71073","MoKα","","0.0591","0.0522","","","0.1507","0.1557","","","","","","1.05","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7202045","9.8988","0.0005","9.8988","0.0005","36.629","0.004","90","","90","","120","","3108.3","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 B2 Cd F8 N12 -","- C36 H36 B2 Cd F8 N12 -","- C108 H108 B6 Cd3 F24 N36 -","3","0.166667","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0488","0.0441","","","0.1013","0.1039","","","","","","1","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202105","27.42","0.005","27.42","0.005","7.0011","0.0018","90","","90","","120","","4558.6","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Dy2 N4 O12.83 -","- C10 H10.6667 Cu Dy2 N4 O12.8333 -","- C90 H96 Cu9 Dy18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0316","0.0262","","","0.0671","0.0749","","","","","","1.002","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202106","27.3601","0.0008","27.3601","0.0008","6.9815","0.0004","90","","90","","120","","4526","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Ho2 N4 O12.83 -","- C10 H10.6667 Cu Ho2 N4 O12.8333 -","- C90 H96 Cu9 Ho18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0278","0.026","","","0.067","0.068","","","","","","1.003","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202107","27.294","0.004","27.294","0.004","6.9565","0.0013","90","","90","","120","","4488","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Er2 N4 O12.83 -","- C10 H10.6667 Cu Er2 N4 O12.8333 -","- C90 H96 Cu9 Er18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0255","0.0223","","","0.0741","0.0819","","","","","","1.001","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202314","16.666","0.0007","16.666","0.0007","38.157","0.004","90","","90","","120","","9178.4","1.1","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","tris(4-(3-pyridyl)phenylester)cyclotriguaiacylene","tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene","","- C62.5 H47.5 Cl7.5 N3 O9 -","- C62.49 H46.99 Cl7.5 N3 O9 -","- C374.94 H281.94 Cl45 N18 O54 -","6","0.333333","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1068","0.0695","","","0.1888","0.231","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202509","9.753","0.001","9.753","0.001","14.174","0.001","90","","90","","120","","1167.61","0.19","293","2","293","2","","","","","","","synthesis as described","3","R -3 :H","-R 3","148","beta indium iodate","","","- I3 In O9 -","- I3 In O9 -","- I18 In6 O54 -","6","0.333333","","Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle","New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates","Journal of Materials Chemistry","2007","17","11","1123","","10.1039/b612677d","","x-ray","0.56085","AgKa","","0.0271","0.0229","","","0.0455","0.0468","","","","","","1.216","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202880","15.244","0.005","15.244","0.005","16.059","0.005","90","0.005","90","0.005","120","0.005","3231.8","1.8","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H18 N4 -","- C27 H18 N4 -","- C162 H108 N24 -","6","0.333333","","Tian, Yu-Peng; Li, Lin; Zhang, Ju-Zhou; Yang, Jia-Xiang; Zhou, Hong-ping; Wu, Jie-ying; Sun, Ping-ping; Tao, Li-min; Guo, Ya-hui; Wang, Chuan-Kui; Xing, Hui; Huang, Wen-hao; Tao, Xu-Tang; Jiang, Min-Hua","Investigations and facile synthesis of a series of novel multi-functional two-photon absorption materials","Journal of Materials Chemistry","2007","17","34","3646","","10.1039/b703853d","","","0.71069","MoKα","","0.1803","0.0757","","","0.183","0.2335","","","","","","0.939","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202955","15.3004","0.0005","15.3004","0.0005","43.667","0.003","90","","90","","120","","8853","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H5 Mn43 Na17 O144 P36 -","- Mn43 Na17 O144 P36 -","- Mn129 Na51 O432 P108 -","3","0.166667","","Wang, Jingping; Bi, Dongqin; Niu, Jingyang","A three-dimensional heterocluster containing manganese clusters and hexanuclear sodium wheels","CrystEngComm","2007","9","9","740","","10.1039/b707476j","","","0.71073","MoKα","","0.0353","0.0307","","","0.0709","0.0731","","","","","","1.047","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203009","35.243","0.005","35.243","0.005","5.1853","0.001","90","","90","","120","","5577.6","1.6","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15.4 H12 N2 O1.1 -","- C15.4 H12 N2 O1.1 -","- C277.2 H216 N36 O19.8 -","18","1","","Fabbiani, Francesca P. A.; Byrne, Lindsay T.; McKinnon, Joshua J.; Spackman, Mark A.","Solvent inclusion in the structural voids of form II carbamazepine: single-crystal X-ray diffraction, NMR spectroscopy and Hirshfeld surface analysis","CrystEngComm","2007","9","9","728","","10.1039/b708303n","","","0.71073","MoKα","","0.0688","0.0512","","0.1554","0.1482","0.1554","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203286","51.227","0.003","51.227","0.003","12.8243","0.0008","90","","90","","120","","29145","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H426 Fe30 O168 -","- C300 H426 Fe30 O168 -","- C900 H1278 Fe90 O504 -","3","0.166667","","Jiang, Guoqing; Li, Yizhi; Hua, Weijie; Song, You; Bai, Junfeng; Li, Shuhua; Scheer, Manfred; You, Xiaozeng","A supramolecular assembly of {Fe10} molecular wheels with tubular structures","CrystEngComm","2006","8","5","384","","10.1039/b600875e","","","0.71073","MoKα","","0.0885","0.0598","","","0.1171","0.1222","","","","","","1.064","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203503","18.217","0.006","18.217","0.006","24.865","0.007","90","","90","","120","","7146","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Fe4 N6 O S12 -","- C42 H24 Fe4 N6 O S12 -","- C252 H144 Fe24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1167","0.0755","","","0.1298","0.1483","","","","","","1.023","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203504","18.264","0.003","18.264","0.003","24.878","0.005","90","","90","","120","","7187","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Co4 N6 O S12 -","- C42 H24 Co4 N6 O S12 -","- C252 H144 Co24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1131","0.0423","","","0.0681","0.082","","","","","","0.982","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203505","18.261","0.003","18.261","0.003","24.862","0.005","90","","90","","120","","7180","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 N6 Ni4 O S12 -","- C42 H24 N6 Ni4 O S12 -","- C252 H144 N36 Ni24 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1551","0.0955","","","0.1798","0.2095","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203693","26.6252","0.0006","26.6252","","14.6744","0.0007","90","","90","","120","","9009","0.5","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.33 H18.33 Cl N3 S6 Sb -","- C9.33333 H18 Cl0.99 N3 S6 Sb -","- C168 H324 Cl17.82 N54 S108 Sb18 -","18","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.054","0.043","","","0.111","0.118","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203924","40.3445","0.0008","40.3445","0.0008","13.9251","0.0008","90","","90","","120","","19629","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","N,N'-Ethylenebis[1,5-di-(1-naphthyl)-2,5-pentanedioneiminato]-nickel(II)","","- C52 H42 N2 Ni O2 -","- C52 H42 N2 Ni O2 -","- C936 H756 N36 Ni18 O36 -","18","1","","Pulkkinen, Juha T.; Laatikainen, Reino; Ahlgrén, Markku J.; Peräkylä, Mikael; Vepsäläinen, Jouko J.","Conformational flexibility and role of aromatic‒aromatic interactions in the crystal packing of the coordination compounds of some novel quadridentate Schiff bases","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","777","","10.1039/a908101a","","","0.71073","MoKα","","0.156","0.0617","","","0.1119","0.1293","","","","","","1.096","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204173","23.136","0.002","23.136","0.002","17.217","0.003","90","","90","","120","","7981.1","1.7","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C108 H54 O6 -","- C76 H54 O6 -","- C456 H324 O36 -","6","0.333333","","Shehadeh Mizyed; Muhammad Ashram; David O. Miller; Paris E. Georghiou","Supramolecular complexation of [60]fullerene with hexahomotrioxacalix[3]naphthalenes: a new class of naphthalene-based calixarenes","J. Chem. Soc., Perkin Trans. 2","2001","","10","1916","1919","10.1039/b105019m","","","0.71073","MoKα","","0.2501","0.154","","","0.406","0.4622","","","","","","1.471","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204223","12.38","0.003","12.38","0.003","14.558","0.005","90","","90","","120","","1932.3","0.9","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C H5 Be Co0.17 N0.67 O4.5 P -","- Be Co0.166667 N0.66 O4.5 P -","- Be18 Co3 N11.88 O81 P18 -","18","1","","Zhang, Haoyu; Weng, Linhong; Zhou, Yaming; Chen, Zhenxia; Sun, Jinyu; Zhao, Dongyuan","[C6N4H24]CoBe6P6O24·3H2O: a novel 3-dimensional beryllophosphate zeolite-like structure encapsulating CoII ions","Journal of Materials Chemistry","2002","12","3","658","","10.1039/b106643a","","","0.71073","MoKα","","0.0881","0.0878","","","0.1929","0.1931","","","","","","1.472","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204262","36.327","0.008","36.327","0.008","8.841","0.002","90","","90","","120","","10104","4","108","2","108","2","","","","","","","","5","R -3 :H","-R 3","148","","silicon phthalocyanine di(p-t-butylbenzoic acid)","","- C54 H42 N8 O4 Si -","- C54 H42 N8 O4 Si -","- C486 H378 N72 O36 Si9 -","9","0.5","","Christopher Farren; Simon FitzGerald; Martin R. Bryce; Andrew Beeby; Andrei S. Batsanov","Synthesis, structure and optical characterisation of silicon phthalocyanine bis-esters","J. Chem. Soc., Perkin Trans. 2","2002","","1","59","66","10.1039/b108778a","","","0.71073","MoKα","","0.0976","0.0465","","","0.0964","0.1166","","","","","","1.015","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204490","19.117","0.003","19.117","0.003","18.364","0.005","90","","90","","120","","5812","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","3-Bromo-2-(4'-fluorophenyl)quinolin-4(1H)-one","","- C15 H9 Br F N O -","- C15 H9 Br F N O -","- C270 H162 Br18 F18 N18 O18 -","18","1","","Mphahlele, Malose J.; Fernandes, Manuel A.; El-Nahas, Ahmed M.; Ottosson, Henrik; Ndlovu, Stephen M.; Sithole, Happy M.; Dladla, Bongumusa S.; De Waal, Danita","Solution phase, solid state and computational structural studies of the 2-aryl-3-bromoquinolin-4(1H)-one derivatives1","Journal of the Chemical Society, Perkin Transactions 2","2002","","12","2159","","10.1039/b206657b","","","0.71073","MoKα","","0.0624","0.0338","","","0.0793","0.0892","","","","","","0.964","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204591","25.6343","0.0006","25.6343","0.0006","31.3646","0.0006","90","","90","","120","","17849","0.7","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H40 N O P3 Pt -","- C43 H40 N O P3 Pt -","- C774 H720 N18 O18 P54 Pt18 -","18","1","","Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.","An organoplatinum molecular hexagon that crystallizes in a hexagonal array","CrystEngComm","2003","5","13","65","","10.1039/b212734b","","","0.71073","MoKα","","0.0598","0.0412","","","0.1185","0.1285","","","","","","1.063","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204788","7.4117","0.0002","7.4117","","16.9197","0.0006","90","","90","","120","","804.93","0.04","","","293","","","","","","","","","4","R -3 :H","-R 3","148","Holmium Iron Molybdenum Oxide","Holmium Iron Molybdenum Oxide","","- Fe Ho2 Mo O7 -","- Fe Ho2 Mo O7 -","- Fe6 Ho12 Mo6 O42 -","6","0.333333","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","","CuKα","","","","","","","","","","1.31","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204789","7.4361","0.0001","7.4361","","16.9464","0.0003","90","","90","","120","","811.519","0.018","","","293","","","","","","","","","4","R -3 :H","-R 3","148","Dysprosium Iron Molybdenum Oxide","Dysprosium Iron Molybdenum Oxide","","- Dy2 Fe Mo O7 -","- Dy2 Fe Mo O7 -","- Dy12 Fe6 Mo6 O42 -","6","0.333333","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.18","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204815","35.283","0.004","35.283","0.004","12.499","0.001","90","","90","","120","","13475","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38.5 H33.11 O4.06 -","- C38.51 H30 O4.05333 -","- C693.18 H540 O72.96 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0576","0.0421","","","0.1088","0.1153","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204816","35.329","0.004","35.329","0.004","12.437","0.001","90","","90","","120","","13443","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H33.39 O3.72 -","- C39.02 H30 O3.73 -","- C702.36 H540 O67.14 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0885","0.0492","","","0.099","0.1121","","","","","","0.969","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204817","35.346","0.003","35.346","0.003","12.568","0.001","90","","90","","120","","13598","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.33 H34 O3.56 -","- C39.2767 H30.4 O3.57 -","- C706.98 H547.2 O64.26 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0816","0.047","","","0.104","0.1184","","","","","","0.968","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204818","35.248","0.003","35.248","0.003","12.507","0.001","90","","90","","120","","13457.1","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.22 H34.5 O3.61 -","- C39.03 H30.45 O3.62 -","- C702.54 H548.1 O65.16 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0555","0.0438","","","0.1132","0.1191","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204819","35.267","0.003","35.267","0.003","12.53","0.001","90","","90","","120","","13496.4","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.39 H33.78 O3.22 -","- C39.4 H30 O3.2 -","- C709.2 H540 O57.6 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0921","0.0743","","","0.1241","0.1341","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204872","20.909","0.002","20.909","0.002","25.247","0.004","90","","90","","120","","9559","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-water","bis(4-nitrophenyl)diphenylmethane-water","","- C75 H58 N6 O14 -","- C75 H57.99 N6 O13.99 -","- C450 H347.94 N36 O83.94 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0989","0.0673","","","0.2173","0.2487","","","","","","1.029","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204873","20.916","0.003","20.916","0.003","25.122","0.005","90","","90","","120","","9518","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-THF","bis(4-nitrophenyl)diphenylmethane-THF","","- C78 H54 N6 O16 -","- C78 H54 N6 O16 -","- C468 H324 N36 O96 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0984","0.0574","","","0.1294","0.1555","","","","","","1.018","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204959","13.6086","0.0004","13.6086","0.0004","15.2777","0.0008","90","","90","","120","","2450.28","0.16","571","2","571","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H0 N0.83 O4 P Zn1.17 -","- C2 N0.833333 O4 P Zn1.16667 -","- C36 N15 O72 P18 Zn21 -","18","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0512","0.0433","","0.1622","0.1549","","","","1.449","1.44","1.44","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205031","16.124","0.0017","16.124","0.0017","7.6023","0.0011","90","","90","","120","","1711.7","0.4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","copper hydroxymethylphosphonate","copper hydroxymethylphosphonate","","- C H3 Cu O4 P -","- C H2 Cu O4 P -","- C18 H36 Cu18 O72 P18 -","18","1","","Hix, Gary B.; Turner, Adele; Kariuki, Benson M.; Tremayne, Maryjane; MacLean, Elizabeth J.","Strategies for the synthesis of porous metal phosphonate materialsBasis of a presentation given at Materials Discussion No. 5, 22???25 September 2002, Madrid, Spain.","Journal of Materials Chemistry","2002","12","11","3220","","10.1039/b204131f","","","0.71073","MoKα","","0.0336","0.0309","","","0.0814","0.0826","","","","","","0.619","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205151","17.725","0.0005","17.725","0.0005","63.211","0.003","90","","90","","120","","17198.7","1.1","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H66 Cu3 N6 O6 P3 S6 -","- C42 H66 Cu3 N6 O6 P3 S6 -","- C504 H792 Cu36 N72 O72 P36 S72 -","12","0.666667","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0653","0.0351","","","0.0808","0.0879","","","","","","0.856","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205159","20.3779","0.0012","20.3779","0.0012","76.563","0.009","90","","90","","120","","27534","4","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.84 H68.02 Cl1.34 N6 O13.17 S4 -","- C51 H62 N6 O12 S4 -","- C918 H1116 N108 O216 S72 -","18","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1431","0.0638","","","0.145","0.1634","","","","","","0.809","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205843","32.8723","0.0016","32.8723","0.0016","8.4085","0.0008","90","","90","","120","","7868.8","0.9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H12 N6 O5 Zn2 -","- C13 H12 N6 O5 Zn2 -","- C234 H216 N108 O90 Zn36 -","18","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0386","0.0288","","","0.0735","0.077","","","","","","1.076","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205883","23.6196","0.0007","23.6196","0.0007","9.5024","0.0003","90","","90","","120","","4591","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","(((2PyHCH2PO3H)Fe2)(ClO4))n","","","- C18 H24 Cl3 Fe N3 O21 P3 -","- C18 H24 Cl3 Fe N3 O21 P3 -","- C108 H144 Cl18 Fe6 N18 O126 P18 -","6","0.333333","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0664","0.0407","","","0.0823","0.0904","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7206401","23.981","0.007","23.981","0.007","17.162","0.005","90","","90","","120","","8547","4","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C396 H396 Cl36 O54 -","18","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0674","0.0508","","","0.1368","0.1484","","","","","","1.074","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206562","22.8907","0.0009","22.8907","0.0009","62.003","0.004","90","","90","","120","","28136","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 Co6 N24 O37 -","- C204 H181.99 Co6 N24 O37 -","- C1224 H1091.94 Co36 N144 O222 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.2369","0.1216","","","0.3206","0.3863","","","","","","1.045","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206563","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206628","18.787","0.002","18.787","0.002","25.17","0.004","90","","90","","120","","7693.6","1.7","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Cl6 N54 Ni3 O24 -","- C72 H108 Cl6 N54 Ni3 O24 -","- C216 H324 Cl18 N162 Ni9 O72 -","3","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0511","0.0433","","","0.1052","0.1101","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7206752","38.903","0.005","38.903","0.005","16.736","0.003","90","","90","","120","","21936","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C169 H142 Cl3 I24 N32 O12 Zn12 -","- C169.08 H118.08 Cl3 I24 N31.92 O12 Zn12 -","- C507.24 H354.24 Cl9 I72 N95.76 O36 Zn36 -","3","0.166667","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1799","0.1571","","","0.3837","0.3959","","","","","","2.582","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207257","17.6497","0.0002","17.6497","0.0002","34.498","0.0005","90","","90","","120","","9306.8","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H66 Cu3 N6 O12 P3 S6 -","- C45 H66 Cu3 N6 O12 P3 S6 -","- C270 H396 Cu18 N36 O72 P18 S36 -","6","0.333333","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0473","0.032","","","0.0899","0.096","","","","","","1.058","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207507","12.57","0.001","12.57","0.001","35.496","0.002","90","","90","","120","","4857.1","0.6","122.4","0.5","122.4","0.5","","","","","","","","5","R -3 :H","-R 3","148","N,N',N''-tris(3-methylpentyl)triazatriangulenium tetrafluoroborate","","","- C37 H48 B F4 N3 -","- C37 H48 B F3.99 N3 -","- C222 H288 B6 F23.94 N18 -","6","0.333333","","Sørensen, Thomas Just; Hildebrandt, Christoffer B.; Elm, Jonas; Andreasen, Jens W.; Madsen, Anders Ø.; Westerlund, Fredrik; Laursen, Bo W.","Large area, soft crystalline thin films of N,N′,N′′-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice","Journal of Materials Chemistry","2012","22","11","4797","","10.1039/c2jm15954f","","x-ray","0.71073","MoKα","","0.125","0.1003","","","0.3425","0.3734","","","","","","1.563","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207687","35.463","0.003","35.463","0.003","7.8005","0.0009","90","","90","","120","","8495.8","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H28 N4 O5 Si -","- C15 H28 N4 O5 Si -","- C270 H504 N72 O90 Si18 -","18","1","","Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis","Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane.","Physical chemistry chemical physics : PCCP","2012","14","16","5672","5679","10.1039/c2cp40250e","","x-ray","0.71073","MoKα","","0.3174","0.2631","","","0.6365","0.6768","","","","","","2.928","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207688","35.463","0.003","35.463","0.003","7.8005","0.0009","90","","90","","120","","8495.8","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H28 N4 O5 Si -","- C7 H9 N4 O2 -","- C126 H162 N72 O36 -","18","1","","Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis","Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane.","Physical chemistry chemical physics : PCCP","2012","14","16","5672","5679","10.1039/c2cp40250e","","x-ray","0.71073","MoKα","","0.1664","0.1302","","","0.3633","0.3893","","","","","","1.305","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207690","10.3969","0.0004","10.3969","0.0004","28.4886","0.0015","90","","90","","120","","2666.9","0.2","180","2","180","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H33 N3 -","- C15 H33 N3 -","- C90 H198 N18 -","6","0.333333","","Mercer, Sean M.; Robert, Tobias; Dixon, Daniel V.; Chen, Chien-Shun; Ghoshouni, Zahra; Harjani, Jitendra R.; Jahangiri, Soran; Peslherbe, Gilles H.; Jessop, Philip G.","Design, synthesis, and solution behaviour of small polyamines as switchable water additives","Green Chemistry","2012","14","3","832","","10.1039/c2gc16240g","","","0.71073","MoKα","","0.0636","0.0482","","","0.1314","0.1464","","","","","","1.053","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207958","17.3716","0.0006","17.3716","0.0006","39.5287","0.0016","90","","90","","120","","10330.5","0.7","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 Eu2 N19 O21.5 -","- C48 H45 Eu2 N19 O21.51 -","- C288 H270 Eu12 N114 O129.06 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0838","","","0.207","0.2139","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207961","17.3754","0.0007","17.3754","0.0007","39.4344","0.0019","90","","90","","120","","10310.4","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 N19 O21.5 Tb2 -","- C48 H40.5 N19 O21.5 Tb2 -","- C288 H243 N114 O129 Tb12 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0732","","","0.1825","0.1936","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208053","22.496","0.003","22.496","0.003","14.87","0.003","90","","90","","120","","6517.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H12 Cd Cl N5 O -","- C11 H12 Cd Cl N5 O -","- C198 H216 Cd18 Cl18 N90 O18 -","18","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0444","0.0418","","","0.1338","0.1365","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208086","17.693","0.003","17.693","0.003","13.907","0.003","90","","90","","120","","3770.2","1.2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C180 H162 N18 O36 -","6","0.333333","","Naseer, Muhammad Moazzam; Hameed, Shahid","Layer-by-layer assembly of supramolecular hexagonal blocks driven by CH‒π and π‒π interactions","CrystEngComm","2012","14","13","4247","","10.1039/c2ce25118c","","","0.71073","MoKα","","0.0701","0.0401","","","0.0892","0.0989","","","","","","1.012","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208111","14.2531","0.0012","14.2531","0.0012","14.554","0.002","90","","90","","120","","2560.5","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H14 Ni2 O13 -","- C8 H14 Ni2 O13 -","- C72 H126 Ni18 O117 -","9","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0416","0.0352","","","0.1092","0.1124","","","","","","1.238","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208231","7.094","0.005","7.094","0.005","16.721","0.015","90","","90","","120","","728.7","1","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba2 Mg O12 -","- B6 Ba2 Mg O12 -","- B18 Ba6 Mg3 O36 -","3","0.166667","","Li, R. K.; Ma, Yingying","Chemical engineering of a birefringent crystal transparent in the deep UV range","CrystEngComm","2012","14","17","5421","","10.1039/c2ce25240f","","","0.71075","MoKα","","0.0321","0.0278","","","0.0595","0.0686","","","","","","1.073","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208539","46.8185","0.0015","46.8185","0.0015","9.4253","0.0003","90","","90","","120","","17892.1","1","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C10 H47.66667 Cl4 N11 O25.33333 Pd Pt -","- C10 H29 Cl4 N11 O25.3333 Pd Pt -","- C180 H522 Cl72 N198 O456 Pd18 Pt18 -","18","1","","Albertí, Francisca M.; Mihály, Tímea; Lippert, Bernhard; Miguel, Pablo J. Sanz","Unsupported single-walled water cluster nanotube: A novel hydrogen bonding pattern for water organization","CrystEngComm","2012","14","19","6178","","10.1039/c2ce25647a","","","0.71073","MoKα","","0.1222","0.054","","","0.119","0.128","","","","","","0.981","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7208981","22.891","0.002","22.891","0.002","13.1165","0.0011","90","","90","","120","","5952.2","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H104 Cd7 N12 O50 P6 -","- C54 H60 Cd7 N12 O50 P6 -","- C162 H180 Cd21 N36 O150 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0497","0.0443","","","0.1088","0.1123","","","","","","1.148","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208982","22.506","0.0013","22.506","0.0013","13.2344","0.0013","90","","90","","120","","5805.4","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H106 Mn7 N12 O51 P6 -","- C54 H60 Mn7 N12 O51 P6 -","- C162 H180 Mn21 N36 O153 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0929","0.0747","","","0.1814","0.1957","","","","","","1.076","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7209000","20.463","0.004","20.463","0.004","27.88","0.007","90","","90","","120","","10110","4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16.5 H17.5 N1.5 Na O9.5 V -","- C12 H4 Na O9 V -","- C216 H72 Na18 O162 V18 -","18","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.061","0.0385","","","0.0904","0.0956","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209088","46.332","0.002","46.332","0.002","12.6066","0.0006","90","","90","","120","","23436.4","1.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","DiOPrTetraAcidPy","","","- C58 H58 N4 O13 -","- C58 H56 N4 O13 -","- C1044 H1008 N72 O234 -","18","1","","Kennedy, Stuart; Cholewa, Piotr; McIntosh, Ruaraidh D.; Dalgarno, Scott J.","Eliminating disorder in a self-assembled calixarene nanotube","CrystEngComm","2013","15","8","1520","","10.1039/c2ce26536b","","","0.71073","MoKα","","0.1418","0.0977","","","0.2749","0.2901","","","","","","1.739","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209176","35.272","0.01","35.272","0.01","5.282","0.001","90","","90","","120","","5691","3","290","2","290","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C45 H38 N6 O4 -","- C45 H37.98 N6 O4 -","- C270 H227.88 N36 O24 -","6","0.333333","","Prohens, Rafel; Font-Bardia, Mercè; Barbas, Rafael","Water wires in the nanoporous form II of carbamazepine: a single-crystal X-ray diffraction analysis","CrystEngComm","2013","15","5","845","","10.1039/c2ce26787j","","","0.71073","MoKα","","0.1145","0.0762","","","0.1766","0.1954","","","","","","1.21","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209192","41.11","0.005","41.11","0.005","31.944","0.008","90","","90","","120","","46754","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C300 H327 Cu12 N9 O96 -","- C264 H216 Cu12 O84 -","- C792 H648 Cu36 O252 -","3","0.166667","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","An ideal metal‒organic rhombic dodecahedron for highly efficient adsorption of dyes in an aqueous solution","CrystEngComm","2013","15","5","848","","10.1039/c2ce26836a","","","0.71073","MoKα","","0.3052","0.0692","","","0.0882","0.0944","","","","","","1.023","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209220","20.319","0.003","20.319","0.003","14.754","0.002","90","","90","","120","","5275.3","1.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 N18 Ni3 O33 P6 -","- C48 H66 N18 Ni3 O33 P6 -","- C144 H198 N54 Ni9 O99 P18 -","3","0.166667","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0556","0.0397","","","0.0968","0.1078","","","","","","1.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209489","7.072","","7.072","","16.738","","90","","90","","120","","724.968","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba2 Co (B3 O6)2","","- B6 Ba2 Co O12 -","- B6 Ba2 Co O12 -","- B18 Ba6 Co3 O36 -","3","0.166667","","Utzolino, A.; Bluhm, K.","Die Synthese und Kristallstruktur von: Ba2 Mn (B3 O6)2 und Ba2 Co (B3 O6)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","907","911","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209490","7.1101","","7.1101","","16.949","","90","","90","","120","","742.038","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba2 Mn (B3 O6)2","","- B6 Ba2 Mn O12 -","- B6 Ba2 Mn O12 -","- B18 Ba6 Mn3 O36 -","3","0.166667","","Utzolino, A.; Bluhm, K.","Die Synthese und Kristallstruktur von: Ba2 Mn (B3 O6)2 und Ba2 Co (B3 O6)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","907","911","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209698","20.0843","0.0005","20.0843","0.0005","20.2408","0.0007","90","","90","","120","","7070.9","0.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C10.8 H8.4 B Cd0.6 F5.2 N8.4 O3.6 P0.2 -","- C10.8 H8.4 B0.996 Cd0.6 F5.184 N8.4 O3.6 P0.2 -","- C162 H126 B14.94 Cd9 F77.76 N126 O54 P3 -","15","0.833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1105","0.0814","","","0.188","0.2076","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209776","23.6899","0.0004","23.6899","0.0004","30.8058","0.0007","90","","90","","120","","14972.3","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61.5 H69.5 N4.5 O24.5 Zn4 -","- C48 H37.98 O20 Zn4 -","- C288 H227.88 O120 Zn24 -","6","0.333333","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0561","0.0465","","","0.135","0.14","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210090","29.5404","0.0012","29.5404","0.0012","14.9218","0.0012","90","","90","","120","","11276.8","1.1","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Ce N2 Na0.33 O10 -","- C50 H32 Ce N2 Na0.333333 O10 -","- C450 H288 Ce9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0412","0.0332","","","0.0984","0.1073","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210092","29.6966","0.0013","29.6966","0.0013","14.9618","0.0012","90","","90","","120","","11426.9","1.2","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Gd N2 Na0.33 O10 -","- C50 H32 Gd N2 Na0.333333 O10 -","- C450 H288 Gd9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.1196","0.0732","","","0.2235","0.2671","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210093","29.5657","0.0012","29.5657","0.0012","14.8222","0.0011","90","","90","","120","","11220.7","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 N2 Na0.33 O10 Pr -","- C50 H30.66 N2 Na0.333333 O10 Pr -","- C450 H275.94 N18 Na3 O90 Pr9 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0422","0.036","","","0.1006","0.1058","","","","","","1","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210222","25.1437","0.0013","25.1437","0.0013","14.5663","0.0015","90","","90","","120","","7975.1","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H30 Mn3 N4 O18 -","- C24 H30 Mn3 N4 O18 -","- C216 H270 Mn27 N36 O162 -","9","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1137","0.0808","","","0.2299","0.2531","","","","","","1.1","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210492","20.659","0.008","20.659","0.008","8.637","0.002","90","","90","","120","","3192.4","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","BioMIL-2ht","","","- C5 H6 Ca O4 -","- C5 H6 Ca O4 -","- C90 H108 Ca18 O72 -","18","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","","","0.71073","MoKα","","0.202","0.0699","","","0.1438","0.1829","","","","","","0.891","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210529","12.2208","0.0002","12.2208","0.0002","25.9835","0.0007","90","","90","","120","","3360.68","0.12","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O48 Sc7 -","- C30 H18 O48 Sc7 -","- C90 H54 O144 Sc21 -","3","0.166667","","Bernini, Maria Celeste; Snejko, Natalia; Gutierrez-Puebla, Enrique; Monge, Angeles","From globular star-shaped molecules to self-assembled nano-spheres: a novel scandium croconate polynuclear complex","CrystEngComm","2011","13","6","1797","","10.1039/c0ce00649a","","","1.54178","CuKα","","0.0313","0.029","","","0.087","0.0881","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210583","11.6102","0.0009","11.6102","0.0009","19.4306","0.0014","90","","90","","120","","2268.3","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Mo N6 O3 -","- C12 H18 Mo N6 O3 -","- C72 H108 Mo6 N36 O18 -","6","0.333333","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0442","0.038","","","0.0663","0.0706","","","","","","1.119","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210594","18.118","0.003","18.118","0.003","17.507","0.003","90","","90","","120","","4976.9","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H30 Cd3 N36 O18 -","- C48 H30 Cd3 N36 O18 -","- C144 H90 Cd9 N108 O54 -","3","0.166667","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0446","0.0435","","","0.0765","0.0769","","","","","","1.304","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210606","50.5752","0.0014","50.5752","0.0014","12.5528","0.0002","90","","90","","120","","27806.5","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H78 Cl N25 O27 -","- C47 H52.39 Cl N25 O26.9893 -","- C846 H943.02 Cl18 N450 O485.808 -","18","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0836","0.0722","","","0.196","0.2047","","","","","","1.039","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210710","15.6227","0.0005","15.6227","0.0005","12.4684","0.0006","90","","90","","120","","2635.44","0.17","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Al2 Ba3 H6 O18 P6 -","- Al2 Ba3 H6 O18 P6 -","- Al12 Ba18 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0256","0.0234","","","0.0579","0.0591","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210711","15.7158","0.0015","15.7158","0.0015","12.679","0.004","90","","90","","120","","2712","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 Ga2 H6 O18 P6 -","- Ba3 Ga2 H6 O18 P6 -","- Ba18 Ga12 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0607","0.0442","","","0.073","0.0784","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210712","15.932","0.008","15.932","0.008","13.327","0.014","90","","90","","120","","2930","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 H6 In2 O18 P6 -","- Ba3 H6 In2 O18 P6 -","- Ba18 H36 In12 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0252","0.0222","","","0.0434","0.0445","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210862","21.83","0.014","21.83","0.014","52.55","0.04","90","","90","","120","","21688","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H214 Cl2 N48 O95 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1603","0.0845","","","0.2539","0.2826","","","","","","0.959","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210863","21.7553","0.0014","21.7553","0.0014","52.07","0.004","90","","90","","120","","21343","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H210 Cl2 N48 O93 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1165","0.0708","","","0.212","0.2347","","","","","","0.951","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210864","21.755","0.005","21.755","0.005","52.173","0.009","90","","90","","120","","21384","8","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H212 Cl2 N48 O94 Rb2 -","- C72 H72 Cl1.999 N48 O25 Rb2 -","- C432 H432 Cl11.994 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1237","0.0654","","","0.1793","0.1966","","","","","","0.906","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210865","21.879","0.008","21.879","0.008","52.67","0.04","90","","90","","120","","21835","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H436 Cl4 N96 O194 Rb4 -","- C144 H144 Cl4 N96 O50 Rb4 -","- C432 H432 Cl12 N288 O150 Rb12 -","3","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1532","0.0894","","","0.244","0.264","","","","","","0.915","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7210925","13.031","0.0006","13.031","0.0006","29.498","0.0016","90","","90","","120","","4337.9","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","AlPO STA-2, as-prepared","","","- C16 H24 Al12 N4 O50 P12 -","- C15.98 H24 Al12 N4 O49.98 P12 -","- C47.94 H72 Al36 N12 O149.94 P36 -","3","0.166667","","Seymour, Valerie R.; Eschenroeder, Eike C. V.; Castro, Maria; Wright, Paul A.; Ashbrook, Sharon E.","Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2","CrystEngComm","2013","15","43","8668","","10.1039/c3ce40965a","","","1.54187","CuKα","","0.1716","0.1126","","","0.2973","0.3568","","","","","","1.25","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211028","24.377","0.003","24.377","0.003","24.856","0.005","90","","90","","120","","12792","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H36 Co9 N36 Na6 O66 -","- C48 H6 Co9 N36 Na6 O66 -","- C144 H18 Co27 N108 Na18 O198 -","3","0.166667","","Tian, Dan; Liu, Sui-Jun; Chang, Ze; Zhang, Ying-Hui; Zhao, Jiong-Peng; Bu, Xian-He","Edge-directed assembly of a 3D 2p–3d heterometallic metal–organic framework based on a cubic Co8(TzDC)12 cage","CrystEngComm","2013","15","45","9344","","10.1039/c3ce41117f","","","0.71073","MoKα","","0.2073","0.1868","","","0.534","0.5476","","","","","","2.188","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211106","25.791","0.002","25.791","0.002","11.1284","0.0013","90","","90","","120","","6410.6","1","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","","bis-Thiocyanato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole)cadmium(II), solvate with 0.66 Dichloromethane","","- C22.667 H29.333 Cd Cl1.333 N10 S2 -","- C22.6667 H28 Cd Cl1.3336 N10 S2 -","- C204 H252 Cd9 Cl12.0024 N90 S18 -","9","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0404","0.0353","","","0.0786","0.0807","","","","","","1.136","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211266","41.519","0.006","41.519","0.006","9.1478","0.0018","90","","90","","120","","13657","4","114","2","114","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C306 H360 Ag36 Cl18 F108 N90 O108 S36 -","18","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0508","0.0453","","","0.1406","0.1463","","","","","","1.046","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211785","28.218","0.002","28.218","0.002","17.741","0.001","90","","90","","120","","12233.8","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H10 I3 N5 O5 Pb -","- C14 H10 I3 N5 O5 Pb -","- C252 H180 I54 N90 O90 Pb18 -","18","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0865","0.048","","","0.1375","0.1574","","","","","","1.079","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211830","33.2881","0.0008","33.2881","0.0008","9.8459","0.0003","90","","90","","120","","9448.5","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H22 Cl N3 O6 -","- C20 H22 Cl N3 O6 -","- C360 H396 Cl18 N54 O108 -","18","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0873","0.065","","","0.2177","0.2491","","","","","","1.162","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7212018","25.0566","0.0012","25.0566","0.0012","29.944","0.003","90","","90","","120","","16281","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H12 Ce O12 S2 -","- C28 H12 Ce O12 S2 -","- C252 H108 Ce9 O108 S18 -","9","0.5","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.41382","","","0.0924","0.079","","","0.2104","0.2168","","","","","","1.339","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212206","20.1966","0.0006","20.1966","0.0006","25.1389","0.0015","90","","90","","120","","8880.4","0.6","293","2","163.15","","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.0288","0.0229","","","0.0509","0.0536","","","","","","1.03","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212207","20.222","0.003","20.222","0.003","25.168","0.005","90","","90","","120","","8913","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.042","0.031","","","0.0678","0.0745","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212586","13.5399","0.0006","13.5399","0.0006","17.0465","0.0014","90","","90","","120","","2706.4","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H13 N6 O27.5 Tb2 -","- C24 H6 N6 O27.5 Tb2 -","- C72 H18 N18 O82.5 Tb6 -","3","0.166667","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0369","0.0332","","","0.0909","0.0939","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212617","21.4412","0.0013","21.4412","0.0013","28.5829","0.0017","90","","90","","120","","11379.8","1.2","150","2","150","2","","","","","","","Ross Inglis","6","R -3 :H","-R 3","148","","","","- C164 H141 Cl7 Mn6 N12 O27 -","- C162 H132 Cl7 Mn6 N12 O25.02 -","- C486 H396 Cl21 Mn18 N36 O75.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0879","0.0656","","","0.1771","0.1929","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212618","21.4257","0.0004","21.4257","0.0004","28.5757","0.0006","90","","90","","120","","11360.5","0.4","150","2","150","2","","","","","","","Ross Inglis","5","R -3 :H","-R 3","148","","","","- C174 H163 Mn6 N13 O24 -","- C174 H163 Mn6 N13 O24.02 -","- C522 H489 Mn18 N39 O72.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0591","0.0511","","","0.1325","0.1385","","","","","","1.131","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212714","19.652","0.003","19.652","0.003","22.048","0.004","90","","90","","120","","7374","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Tb4 -","- C30 H62.01 O43 Tb4 -","- C180 H372.06 O258 Tb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0714","0.0585","","","0.1324","0.1408","","","","","","1.052","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212715","19.6388","0.0011","19.6388","0.0011","21.9696","0.0014","90","","90","","120","","7338.1","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Yb4 -","- C30 H62.01 O43 Yb4 -","- C180 H372.06 O258 Yb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.084","0.0678","","","0.1668","0.1811","","","","","","1.019","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212716","19.4352","0.0018","19.4352","0.0018","22.025","0.002","90","","90","","120","","7204.8","1.1","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 Dy4 O43 -","- C30 H62.01 Dy4 O43 -","- C180 H372.06 Dy24 O258 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0768","0.052","","","0.1111","0.1231","","","","","","0.978","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212911","35.238","0.003","35.238","0.003","8.3319","0.0015","90","","90","","120","","8959.8","1.9","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","Ethyl 10-benzoyl-7-hydroxy-7-(trifluoromethyl)- 1,2,3,4,5,7,8,9-octahydropyrido (1,2-a)(1,3)diazepine-8-carboxylate","Ethyl 10-benzoyl-7-hydroxy-7-(trifluoromethyl)-1,2,3,4,5,7,8,9-octahydropyrido [1,2-a][1,3]diazepine-8-carboxylate","","- C20 H22 F3 N2 O4.5 -","- C20 H22 F3 N2 O4.5 -","- C360 H396 F54 N36 O81 -","18","1","","Yan, Shengjiao; Chen, Yulan; Liu, Lin; He, Nengqin; Lin, Jun","Three-component solvent-free synthesis of highly substituted bicyclic pyridines containing a ring-junction nitrogen","Green Chemistry","2010","12","11","2043","","10.1039/c0gc00373e","","","0.71073","MoKα","","0.1294","0.056","","","0.1364","0.176","","","","","","0.952","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213091","28.1031","0.0012","28.1031","0.0012","7.1509","0.0004","90","","90","","120","","4891","0.4","298","2","298","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C32 H24 -","- C32 H24 -","- C288 H216 -","9","0.5","","Yu, Richeng; Yakimansky, Alexander; Voigt-Martin, Ingrid G.; Fetten, Michael; Schnorpfeil, C.; Schollmeyer, Dieter; Meier, Herbert","Tetrabenzo[ab, f, jk,o][18]annulene: synthesis, crystal structure analysis, ab initio quantum-chemical studies of intermolecular interactions in the gas phase and in crystalline states, photodimerization and photopolymerization","Journal of the Chemical Society, Perkin Transactions 2","1999","","9","1881","","10.1039/a903451j","","","1.54178","CuKα","","0.0886","0.0516","","","0.1236","0.1404","","","","","","1.024","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213138","31.695","0.002","31.695","0.002","7.7985","0.0007","90","","90","","120","","6784.6","0.9","296.7","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C360 H288 N36 -","18","1","","Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi","8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3677","","10.1039/a905161i","","","0.7107","MoKα","","0.044","0.044","","","0.041","0.041","","","2.1","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213437","11.522","0.002","11.522","0.002","50.079","0.009","90","","90","","120","","5757.6","1.8","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C24 H27 N -","- C24 H27 N -","- C288 H324 N12 -","12","0.666667","","Wyatt, Paul; Butts, Craig P.; Patel, Vipulkumar; Voysey, Ben","Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4222","","10.1039/b007710k","","","0.71073","MoKα","","0.0744","0.0443","","0.1156","0.1012","","","","1.024","1.093","1.093","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213658","24.124","0.003","24.124","0.003","7.4767","0.0015","90","","90","","120","","3768.2","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H5 Mn N O5 -","- C7 H5 Mn N O5 -","- C126 H90 Mn18 N18 O90 -","18","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0629","0.0469","","","0.0779","0.0823","","","","","","1.155","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7214002","9.1367","0.0002","9.1367","0.0002","25.9692","0.001","90","","90","","120","","1877.45","0.09","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C0 H2 In N0 O6 P2 -","- H2 In O6 P2 -","- H18 In9 O54 P18 -","9","0.5","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0176","0.0159","","","0.0385","0.0388","","","","","","1.006","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214097","17.778","0.0013","17.778","0.0013","18.6529","0.0013","90","","90","","120","","5105.6","0.6","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-methyl-imidazolate-4-amide-5-imidato)-cobalt(II) dimethylformamide solvate","","- C7.5 H9.5 Co N4.5 O2.5 -","- C6 H6 Co N4 O2 -","- C108 H108 Co18 N72 O36 -","18","1","","Mondal, Suvendu Sekhar; Bhunia, Asamanjoy; Demeshko, Serhiy; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Holdt, Hans-Jürgen","Synthesis of a Co(ii)‒imidazolate framework from an anionic linker precursor: gas-sorption and magnetic properties","CrystEngComm","2014","16","1","39","","10.1039/c3ce42040j","","","0.71073","MoKα","","0.0772","0.0482","","","0.1142","0.1245","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214263","38.1168","0.0009","38.1168","0.0009","11.6852","0.0003","90","","90","","120","","14702.8","0.6","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C171 H154 Br12 Cl12 N18 O13 Zn6 -","- C171 H137.94 Br12 Cl12.06 N18 O12.96 Zn6 -","- C513 H413.82 Br36 Cl36.18 N54 O38.88 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0454","0.0333","","","0.0902","0.102","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214264","38.975","0.002","38.975","0.002","11.4827","0.0008","90","","90","","120","","15105.9","1.5","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C189 H159 Br12 Cl9 N18 O15 Zn6 -","- C189 H129 Br12 Cl9 N18 O15 Zn6 -","- C567 H387 Br36 Cl27 N54 O45 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0703","0.0425","","","0.1267","0.1717","","","","","","1.111","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214265","38.4322","0.0016","38.4322","0.0016","22.545","0.001","90","","90","","120","","28838","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C438 H308 Cl24 N36 O22 Zn12 -","- C437.94 H275.76 Cl24 N36 O21.9 Zn12 -","- C1313.82 H827.28 Cl72 N108 O65.7 Zn36 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.086","0.0638","","","0.1735","0.2072","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214266","37.998","0.004","37.998","0.004","11.3178","0.0011","90","","90","","120","","14152","3","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H111 Cl21 F30 N18 O9 Zn6 -","- C168 H99 Cl21 F30 N18 O9 Zn6 -","- C504 H297 Cl63 F90 N54 O27 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.0626","0.0613","","","0.181","0.1826","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214312","39.4134","0.0004","39.4134","0.0004","10.4024","0.0002","90","","90","","120","","13994.3","0.3","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H30 N2 O8 -","- C32 H30 N2 O8 -","- C576 H540 N36 O144 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0666","0.0496","","","0.1357","0.1517","","","","","","0.995","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214313","39.3244","0.0003","39.3244","0.0003","10.4186","0.0002","90","","90","","120","","13952.9","0.3","103","2","103","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H32 N2 O8.34 -","- C33 H30 N2 O8.34 -","- C594 H540 N36 O150.12 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.093","0.0531","","","0.1258","0.1462","","","","","","1.041","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214560","18.0166","0.0005","18.0166","0.0005","18.6077","0.0005","90","","90","","120","","5230.8","0.2","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-ethoxy-imidazolate-4-amide-5-imidato)-zinc(II) dimethylformamide solvate","","- C8.5 H11.5 N4.5 O3.5 Zn -","- C7 H8 N4 O3 Zn -","- C126 H144 N72 O54 Zn18 -","18","1","","Mondal, Suvendu Sekhar; Dey, Subarna; Baburin, Igor A.; Kelling, Alexandra; Schilde, Uwe; Seifert, Gotthard; Janiak, Christoph; Holdt, Hans-Jürgen","Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal‒organic frameworks with flexible ethoxy substituent","CrystEngComm","2013","15","45","9394","","10.1039/c3ce41632a","","","0.71073","MoKα","","0.0236","0.0212","","","0.0559","0.0569","","","","","","1.049","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214603","21.216","0.001","21.216","","17.221","0.001","90","","90","","120","","6713","0.5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C306 H324 N36 O18 -","18","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0687","0.0624","","","0.1459","0.1504","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214808","24.3529","0.0009","24.3529","0.0009","14.2468","0.001","90","","90","","120","","7317.3","0.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co1.5 N2 O8 -","- C12 H15 Co1.5 N2 O8 -","- C216 H270 Co27 N36 O144 -","18","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0745","0.0406","","","0.0983","0.1179","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215171","13.8783","0.0008","13.8783","0.0008","20.2283","0.0015","90","","90","","120","","3374.1","0.4","220","","220","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0617","0.0479","","","0.0873","0.0914","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215172","13.9053","0.0013","13.9053","0.0013","20.333","0.003","90","","90","","120","","3404.8","0.7","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0434","0.0287","","","0.0664","0.0736","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215173","13.8636","0.0003","13.8636","0.0004","20.1758","0.0004","90","","90","","120","","3358.25","0.14","140","","140","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0638","0.0562","","","0.1132","0.1163","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215174","13.8771","0.0008","13.8771","0.0008","20.2392","0.0013","90","","90","","120","","3375.4","0.4","230","","230","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0592","0.047","","","0.0964","0.1014","","","","","","1.168","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215175","13.8749","0.001","13.8749","0.001","20.2458","0.0014","90","","90","","120","","3375.4","0.4","245","","245","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0707","0.0515","","","0.1101","0.1189","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215209","21.576","0.0004","21.576","0.0004","8.9043","0.0004","90","","90","","120","","3589.82","0.19","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 H6 Cu N4 O4 -","- C3 H6 Cu N4 O4 -","- C54 H108 Cu18 N72 O72 -","18","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Lu, Kai-Hsiang","Impeller-like dodecameric water clusters in metal‒organic nanotubes","CrystEngComm","2014","16","25","5516","","10.1039/c3ce42087f","","","0.71073","MoKα","","0.0472","0.0359","","","0.1044","0.1117","","","","","","1.067","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215714","29.958","0.004","29.958","0.004","15.57","0.003","90","","90","","120","","12102","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H40 N12 O16 Pb2 -","- C32 H40 N12 O16 Pb2 -","- C288 H360 N108 O144 Pb18 -","9","0.5","","Guo, Chun-Li; Li, Xiao-Zeng; Zhang, Xing-Mei; Wang, Lu; Zhu, Li-Na","A novel porous metal‒organic framework from a new bis(acylhydrazone) ligand capable of reversibly adsorbing/desorbing water and small alcohol molecules","CrystEngComm","2014","16","20","4095","","10.1039/c4ce00140k","","","0.71073","MoKα","","0.0671","0.0571","","","0.1431","0.1503","","","","","","1.14","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7216068","33.072","0.011","33.072","0.011","9.285","0.004","90","","90","","120","","8795","6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41.33 H25.33 Cl4 N8 Zn -","- C40 H24 N8 Zn -","- C360 H216 N72 Zn9 -","9","0.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.1742","0.0804","","","0.1555","0.1775","","","","","","0.912","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216181","18.3488","0.0005","18.3488","0.0005","11.1379","0.0006","90","","90","","120","","3247.5","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H21.57 N3 O9.28 -","- C18 H21 N3 O9 -","- C108 H126 N18 O54 -","6","0.333333","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.093","0.0889","","","0.2394","0.2413","","","","","","1.25","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216418","13.3641","0.0007","13.3641","0.0007","45.517","0.003","90","","90","","120","","7040.2","0.7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H80 F6 N14 O24 Si -","- C90 H80 F6 N14 O24 Si -","- C270 H240 F18 N42 O72 Si3 -","3","0.166667","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1499","0.0987","","","0.2801","0.314","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216456","22.0842","0.0002","22.0842","0.0002","28.0921","0.0006","90","","90","","120","","11865.3","0.3","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H35 K4 La3 N12 O74 Si W12 -","- C30 H15 K3.99 La3 N12 O69.49 Si W12 -","- C180 H90 K23.94 La18 N72 O416.94 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0438","0.0327","","","0.0716","0.0763","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216457","22.152","0.0004","22.152","0.0004","28.2012","0.0012","90","","90","","120","","11984.6","0.6","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H33 Ce3 K4 N12 O73 Si W12 -","- C30 H15 Ce3 K3.99 N12 O70.48 Si W12 -","- C180 H90 Ce18 K23.94 N72 O422.88 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0269","0.0227","","","0.0513","0.0533","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216586","26.901","0.006","26.901","0.006","5.7535","0.0012","90","","90","","120","","3605.8","1.4","150","2","133","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H24 N6 Ni S2 -","- C10 H24 N6 Ni S2 -","- C90 H216 N54 Ni9 S18 -","9","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0501","0.046","","","0.1015","0.1033","","","","","","1.211","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216795","15.9628","0.0009","15.9628","0.0009","14.4867","0.0016","90","","90","","120","","3196.8","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H12 N8 Ni O8 V2 -","- C4 H12 N8 Ni O8 V2 -","- C36 H108 N72 Ni9 O72 V18 -","9","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0687","0.0523","","","0.1532","0.1633","","","","","","1.074","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7217095","32.703","0.002","32.703","0.002","20.7189","0.0014","90","","90","","120","","19190","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H24 N4 O2 -","- C24 H24 N4 O2 -","- C864 H864 N144 O72 -","36","2","","Banerjee, Prabal; Pandey, Ashok Kumar","Synthesis of Functionalized Dispiro-oxindoles through Azomethine Ylide Dimerization and Mechanistic Studies to Explain the Diastreoslectivity","RSC Advances","2014","","","","","10.1039/C4RA01492H","","","0.71073","MoKα","","0.0685","0.0542","","","0.1955","0.2133","","","","","","0.898","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7217197","19.4966","0.0008","19.4966","0.0008","58.604","0.003","90","","90","","120","","19291.9","1.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H51 Cr N12 O105 P2 W24 -","- C72 H51 Cr N12 O105 P2 W24 -","- C216 H153 Cr3 N36 O315 P6 W72 -","3","0.166667","","Liao, Jian-Zhen; Dui, Xue-Jing; Zhang, Hai-Long; Wu, Xiao-Yuan; Lu, Can-Zhong","Polyoxometalate anion‒π interaction-directed assembly of a three-dimensional hydrogen-bonded supramolecular framework with nanoscale porosity","CrystEngComm","2014","16","46","10530","","10.1039/C4CE01283F","","","0.71073","MoKα","","0.122","0.0836","","","0.2451","0.2871","","","","","","1.009","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217724","35.744","0.002","35.744","0.002","23.9081","0.0016","90","","90","","120","","26453","3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C210 H162 Cl18 N18 O6 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C558 H378 Cl36 N54 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0526","0.0311","","","0.0626","0.0661","","","","","","0.799","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217727","70.6015","0.0018","70.6015","0.0018","23.992","0.0006","90","","90","","120","","103568","5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C206 H146 Cl18 N18 O2 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C2232 H1512 Cl144 N216 Zn72 -","12","0.666667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.179","0.1199","","","0.2869","0.3228","","","","","","0.971","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7218441","17.3547","0.0015","17.3547","0.0015","16.3898","0.0014","90","","90","","120","","4275","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H14 Cd N12 -","- C20 H14 Cd N12 -","- C180 H126 Cd9 N108 -","9","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0196","0.0186","","","0.0631","0.0642","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218907","22.004","0.012","22.004","0.012","20.67","0.02","90","","90","","120","","8667","11","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H17 Cu N3 O5 -","- C18 H17 Cu N3 O5 -","- C324 H306 Cu18 N54 O90 -","18","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.0901","0.058","","","0.127","0.1393","","","","","","1.098","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219304","25.875","0.004","25.875","0.004","25.597","0.004","90","","90","","120","","14842","4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C29 H29 Cl2 N3 O Ru S -","- C29 H29 Cl2 N3 O Ru S -","- C522 H522 Cl36 N54 O18 Ru18 S18 -","18","1","","Yuan, Zeli; Shen, Xiaomin; Huang, Jiandong","Syntheses, crystal structures and antimicrobial activities of Cu(ii), Ru(ii), and Pt(ii) compounds with an anthracene-containing tripodal ligand","RSC Adv.","2015","5","14","10521","","10.1039/C4RA09168J","","","0.71073","MoKα","","0.0767","0.045","","","0.0905","0.0987","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219314","18.999","0.0008","18.999","0.0008","37.095","0.0019","90","","90","","120","","11596","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H57 Cu N5 O11 -","- C34 H46 Cu N4 O8 -","- C306 H414 Cu9 N36 O72 -","9","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71069","MoKα","","0.076","0.0543","","","0.1557","0.165","","","","","","0.966","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219323","18.1541","0.0012","18.1541","0.0012","27.843","0.004","90","","90","","120","","7946.9","1.4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H89 Cd6 Cl N12 O50.5 -","- C84 H88.98 Cd6 Cl N12 O50.5 -","- C252 H266.94 Cd18 Cl3 N36 O151.5 -","3","0.166667","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0411","0.0319","","","0.097","0.1037","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219513","30.515","0.005","30.515","0.005","7.574","0.002","90","","90","","120","","6108","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C234 H198 Cd18 N18 O108 -","18","1","","Li, Shi-Hui; Han, Min-Le; Liu, Guangzhen; Ma, Lufang; Wang, Liya","Guest-induced single-crystal-to-single-crystal transformations of a new 4-connected 3D cadmium(II) metal‒organic framework","RSC Adv.","2015","","","","","10.1039/C5RA00621J","","","0.71073","MoKα","","0.1265","0.0739","","","0.1607","0.2041","","","","","","1.081","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219514","30","0.03","30","0.03","7.554","0.013","90","","90","","120","","5888","13","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H7 Cd N O4 -","- C13 H7 Cd N O4 -","- C234 H126 Cd18 N18 O72 -","18","1","","Li, Shi-Hui; Han, Min-Le; Liu, Guangzhen; Ma, Lufang; Wang, Liya","Guest-induced single-crystal-to-single-crystal transformations of a new 4-connected 3D cadmium(II) metal‒organic framework","RSC Adv.","2015","","","","","10.1039/C5RA00621J","","","0.71073","MoKα","","0.2849","0.0982","","","0.236","0.3685","","","","","","0.963","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219640","28.4074","0.0008","28.4074","0.0008","11.9126","0.0005","90","","90","","120","","8325.3","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","4-aminoquinaldine form II","2-methyl-4-amino-quinoline form II","","- C10.08 H10 Cl0.33 N2 -","- C10.0833 H10 Cl0.3334 N2 -","- C363 H360 Cl12.0024 N72 -","36","2","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0673","0.0564","","","0.1538","0.1637","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219707","23.34","0.003","23.34","0.003","55.409","0.011","90","","90","","120","","26140","7","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","[Ni18Na6Cl6(C40H44S4O4)6(C2N3HS)6(H2O)6]","","","- C258 H294 Cl18 N18 Na6 Ni18 O32 S30 -","- C252 H270 Cl6 N18 Na6 Ni18 O30 S30 -","- C756 H810 Cl18 N54 Na18 Ni54 O90 S90 -","3","0.166667","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1279","0.1047","","","0.2798","0.3015","","","","","","1.181","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219931","37.419","0.005","37.419","0.005","10.7471","0.0011","90","","90","","120","","13032","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1501","0.0562","","","0.1287","0.2029","","","","","","0.967","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219932","36.528","0.002","36.528","0.002","10.5054","0.001","90","","90","","120","","12139.3","1.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1444","0.0606","","","0.1388","0.189","","","","","","0.893","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219933","37.361","0.005","37.361","0.005","10.403","0.002","90","","90","","120","","12576","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.2125","0.072","","","0.1568","0.2394","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220578","29.4783","0.0015","29.4783","0.0015","14.1301","0.0008","90","","90","","120","","10633.6","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H18 N2 O12 Tb -","- C20 H18 N2 O12 Tb -","- C360 H324 N36 O216 Tb18 -","18","1","","Wang, Jinzeng; Sun, Wei; Chang, Siyuan; liu, hou-ting; zhang, guonan; Wang, Yan-Qing; Liu, Zhiliang","A terbium metal‒organic framework with stable luminescent emission in wide pH range that acts as a quantitative detection material for nitroaromatics","RSC Adv.","2015","","","","","10.1039/C5RA06308F","","","1.54184","CuKα","","0.0584","0.0399","","","0.0841","0.0922","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220813","20.8197","0.0013","20.8197","0.0013","11.5581","0.0015","90","","90","","120","","4338.8","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H5 Cd N9 O -","- C4 H5 Cd N9 O -","- C72 H90 Cd18 N162 O18 -","18","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0257","0.0247","","","0.0782","0.0789","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220815","30.095","0.005","30.095","0.005","6.7707","0.0011","90","","90","","120","","5310.7","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20 N24 O7 Zn6 -","- C18 H19.98 N24 O7 Zn6 -","- C108 H119.88 N144 O42 Zn36 -","6","0.333333","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0546","0.0363","","","0.0872","0.0945","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220916","29.935","0.004","29.935","0.004","11.194","0.002","90","","90","","120","","8687","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H15 N3 O6 Zn -","- C17 H15 N3 O6 Zn -","- C306 H270 N54 O108 Zn18 -","18","1","","Yang, Linyan; Zhang, Yanping; Lv, Rui; Wang, Jingyao; Fu, Xin; Gu, Wen; Liu, Xin","Serrated single-wall metal‒organic nanotubes (SWMONTs) for benzene adsorption","CrystEngComm","2015","17","30","5625","","10.1039/C5CE00911A","","","0.71073","MoKα","","0.079","0.07","","","0.1907","0.1981","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221522","11.9658","","11.9658","","40.1033","","90","","90","","120","","4972.72","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sr14 (Al4)2 Ge3","","- Al8 Ge3 Sr14 -","- Al8 Ge3 Sr14 -","- Al48 Ge18 Sr84 -","6","0.333333","","Wendorff, M.; Roehr, C.","Sr14 [Al4]2 [Ge]3: a Zintl phase with isolated [Ge4](4-)- and [Al4](8-) anions","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","1227","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","151868","2020-10-21","18:00:00",""
"7221623","17.323748","0.00007","17.323748","0.00007","7.000171","0.000036","90","","90","","120","","1819.38","0.014","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","Ca2Al3O6F","- Al6 Ca4 F2 O12 -","- Al6 Ca4 F2.0001 O12 -","- Al36 Ca24 F12.0006 O72 -","6","0.333333","","Zhiguo, Xia; Molokeev, Maxim; Oreshonkov, Alexander; Atuchin, Victor; Ru-Shi, Liu; Cheng, Dong","Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy","Physical Chemistry Chemical Physics","2014","16","13","5952","","10.1039/C3CP53816H","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.445","3.885","","","1.971","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"7221660","27.288","0.004","27.288","0.004","32.044","0.006","90","","90","","120","","20664","6","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C240 H232 Cd12 N48 O56 -","- C240 H232 Cd12 N48 O56 -","- C720 H695.999 Cd36 N144 O168 -","3","0.166667","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0509","0.0421","","","0.1055","0.1069","","","","","","1.091","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221769","45.646","0.007","45.646","0.007","10.915","0.002","90","","90","","120","","19695","6","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu N6 O15 -","- C14 H4 Cu N2 O9 -","- C252 H72 Cu18 N36 O162 -","18","1","","Zhang, Na; Zhang, Jian-Yong; Jia, qin xiang; Deng, Wei; Gao, En-Qing","Solvent-controlled Structural Diversity Observed in Three Cu(II) MOFs with 2,2'-dinitro-biphenyl-4,4'-dicarboxylate Ligand: Synthesis, Structures and Magnetism","RSC Adv.","2015","","","","","10.1039/C5RA10459A","","","0.71073","MoKα","","0.0719","0.0677","","","0.1971","0.2016","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221927","25.766","0.004","25.766","0.004","29.978","0.006","90","","90","","120","","17236","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H26 O9 S4 -","- C40 H24 O9 S4 -","- C720 H432 O162 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.136","0.0834","","","0.2569","0.2932","","","","","","0.989","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221928","37.589","0.003","37.589","0.003","10.681","0.0016","90","","90","","120","","13070","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O7 S4 -","- C30 H22 O7 S4 -","- C540 H396 O126 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.105","0.0802","","","0.2212","0.2377","","","","","","1.023","","","","has coordinates,has disorder","171094","2020-10-21","18:00:00",""
"7221929","36.329","0.005","36.329","0.005","11.8166","0.0016","90","","90","","120","","13506","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.17 H28.17 Cl0.51 O5 S4 -","- C31.1667 H28 Cl0.163333 O5 S4 -","- C561 H504 Cl2.94 O90 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.0827","0.0753","","","0.2209","0.2301","","","","","","1.12","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221930","36.0289","0.0013","36.0289","0.0013","12.2533","0.0013","90","","90","","120","","13774.8","1.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H28 O6 S4 -","- C32 H28 O6 S4 -","- C576 H504 O108 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.1244","0.0492","","","0.0804","0.0972","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221931","37.498","0.005","37.498","0.005","11.9203","0.0015","90","","90","","120","","14516","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H28 O7 S4 -","- C33 H28.01 O7.01 S4 -","- C594 H504.18 O126.18 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.103","0.0631","","","0.1616","0.2095","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222156","8.3828","","8.3828","","22.873","","90","","90","","120","","1391.98","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li3.18 Ti2 (P O4)3","","- Li3.18 O12 P3 Ti2 -","- Li3.18 O12 P3 Ti2 -","- Li19.08 O72 P18 Ti12 -","6","0.333333","","Aatiq, A.; Menetrier, M.; Croguennec, L.; Suard, E.; Delmas, C.","On the structure of Li3 Ti2 (P O4)3","Journal of Materials Chemistry","2002","12","","2971","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","156360","2020-10-21","18:00:00",""
"7222176","8.3009","","8.3009","","22.502","","90","","90","","120","","1342.77","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li3 Fe2 (P O4)3","","- Fe2 Li3 O12 P3 -","- Fe2 Li3 O12 P3 -","- Fe12 Li18 O72 P18 -","6","0.333333","","Eyob, P.; Thomas, J.O.; Andersson, A.S.","A neutron powder diffraction study of electrochemically lithiated R - (Li3+x Fe2 (P O4)3) for x = 1.8","Journal of Materials Chemistry","2002","12","","2343","2347","","","","","","","","","","","","","","","","","","","","","","has coordinates","156849","2020-10-21","18:00:00",""
"7222177","8.288","","8.288","","22.542","","90","","90","","120","","1340.98","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li4.8 Fe2 (P O4)3","","- Fe2 Li4.8 O12 P3 -","- Fe2 Li4.8 O12 P3 -","- Fe12 Li28.8 O72 P18 -","6","0.333333","","Eyob, P.; Andersson, A.S.; Thomas, J.O.","A neutron powder diffraction study of electrochemically lithiated R- (Li3+x Fe2 (P O4)3) for x = 1.8","Journal of Materials Chemistry","2002","12","","2343","2347","","","","","","","","","","","","","","","","","","","","","","has coordinates","156851","2020-10-21","18:00:00",""
"7222642","9.163","","9.163","","25.014","","90","","90","","120","","1818.82","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Rb1.13 Ti (Nb6 Cl18)","","- Cl18 Nb6 Rb1.13 Ti -","- Cl18 Nb6 Rb1.128 Ti -","- Cl54 Nb18 Rb3.384 Ti3 -","3","0.166667","","Naegele, A.; Anokhina, E.V.; Sitar, J.; Lachgar, A.; Meyer, H.J.","Synthesis and crystal structures of A Ti (Nb6 Cl18) compounds (A= Cs, Rb, K, In, Tl)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2000","55","","139","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222846","7.922","","7.922","","6.956","","90","","90","","120","","378.059","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li6 (Te O6)","","- Li6 O6 Te -","- Li6 O6 Te -","- Li18 O18 Te3 -","3","0.166667","","Hauck, J.","Zur Kristallstruktur des Li6 Te O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1969","24","","647","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222908","9.204","","9.204","","11.539","","90","","90","","120","","846.549","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mo6 Sr S8","","- Mo6 S8 Sr -","- Mo6 S8 Sr -","- Mo18 S24 Sr3 -","3","0.166667","","Kalsbach, W.","Strukturelle Phasenuebergaenge und druckinduzierte Supraleitung von Molybdaen-Clusterverbindungen (Chevrel-Phasen)","Berichte der Kernforschungsanlage Juelich","1984","1984","","1","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223166","29.6014","0.0016","29.6014","0.0016","22.5","0.003","90","","90","","120","","17074","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C38 H38 Ag F6 N4 O5 P S -","- C36 H32 Ag F5.98 N4 O4 P0.996667 -","- C648 H576 Ag18 F107.64 N72 O72 P17.94 -","18","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.1483","0.1147","","","0.2926","0.3146","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223401","31.5874","0.0013","31.5874","0.0013","9.9815","0.0003","90","","90","","120","","8624.9","0.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C73 H64 O7 -","- C73 H63.9996 O7 -","- C438 H383.998 O42 -","6","0.333333","","Gedu, Satyanarayana; Pedireddi, Niharika","One-Pot C-C/C-O Bonds Formation: Synthesis of Spirocyclic Lactones","RSC Adv.","2015","","","","","10.1039/C5RA22684H","","","1.54184","CuKα","","0.0876","0.0679","","","0.2036","0.2309","","","","","","1.04","","","","has coordinates,has disorder","170674","2020-10-21","18:00:00",""
"7223851","18.583","0.001","18.583","0.001","14.503","0.001","90","0","90","0","120","0","4337.3","0.4","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H21 F6 Mn O6 -","- C30 H21 F6 Mn O6 -","- C180 H126 F36 Mn6 O36 -","6","0.333333","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.0718","0.0505","","","0.1328","0.1513","","","","","","1.046","","","","has coordinates","177937","2020-10-21","18:00:00",""
"7223863","14.07","0.006","14.07","0.006","19.864","0.008","90","","90","","120","","3406","2","100","2","100","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}","","- C45 H35 Cd3 N O15 -","- C42 H24 Cd3 O14 -","- C126 H72 Cd9 O42 -","3","0.166667","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.1186","0.0547","","","0.1396","0.1548","","","","","","1.006","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223898","25.917","0.003","25.917","0.003","30.915","0.004","90","","90","","120","","17983","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H43 N8 O13.17 Sm -","- C33 H43 N8 O13.1667 Sm -","- C594 H774 N144 O237 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.079","0.0496","","","0.1197","0.138","","","","","","1.049","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223899","25.758","0.004","25.758","0.004","30.055","0.004","90","","90","","120","","17269","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30.33 H36.53 N7 O12.5 Sm -","- C30.3333 H36.99 N7 O12.5 Sm -","- C546 H665.82 N126 O225 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.1306","0.0502","","","0.0925","0.1239","","","","","","1.003","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223965","19.5621","0.0008","19.5621","0.0008","8.7321","0.0009","90","","90","","120","","2893.9","0.3","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10.44 O8.22 U -","- C6 H10 O8.22333 U -","- C54 H90 O74.01 U9 -","9","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0467","0.0418","","","0.0951","0.1002","","","","","","1.065","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223978","36.4984","0.0017","36.4984","0.0017","10.5148","0.0004","90","","90","","120","","12130.5","0.9","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C63.4 H52.8 N4 O2 Sn -","- C63.4 H52.8 N4 O2 Sn -","- C570.6 H475.2 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0539","0.0387","","","0.1236","0.1456","","","","","","1.09","","","","has coordinates","201369","2020-10-21","18:00:00",""
"7223979","36.626","0.002","36.626","0.002","10.4295","0.0008","90","","90","","120","","12116.4","1.3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H44 Br2 N4 O2 Sn -","- C60 H44 Br2 N4 O2 Sn -","- C540 H396 Br18 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0753","0.0463","","","0.1348","0.1663","","","","","","1.126","","","","has coordinates","177766","2020-10-21","18:00:00",""
"7223980","37.09","0.002","37.09","0.002","10.1013","0.0006","90","","90","","120","","12034.3","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H44 N6 O6 Sn -","- C60 H44 N6 O6 Sn -","- C540 H396 N54 O54 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.1133","0.0711","","","0.2089","0.2417","","","","","","1.458","","","","has coordinates,has disorder","177766","2020-10-21","18:00:00",""
"7224485","34.9259","0.0006","34.9259","0.0006","27.7797","0.0006","90","","90","","120","","29346.3","1","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H198 Br2 Mn4 N12 O81 -","- C180 H198 Br2.0001 Mn4 N12 O81 -","- C1080 H1188 Br12.0006 Mn24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1088","0.0615","","","0.1627","0.189","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224486","35.0155","0.0008","35.0155","0.0008","27.5842","0.0007","90","","90","","120","","29289.5","1.2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 Co4 N12 O81 -","- C180 H204 Br2.0001 Co4 N12 O81 -","- C1080 H1224 Br12.0006 Co24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0785","0.0492","","","0.1281","0.1436","","","","","","1.02","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224487","35.0383","0.0017","35.0383","0.0017","27.5617","0.0012","90","","90","","120","","29304","2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 N12 Ni4 O81 -","- C180 H204 Br2.0001 N12 Ni4 O81 -","- C1080 H1224 Br12.0006 N72 Ni24 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1001","0.0645","","","0.1729","0.1942","","","","","","1.033","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224499","36.657","0.003","36.657","0.003","10.461","0.0012","90","","90","","120","","12174","2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0969","0.0691","","","0.1869","0.2084","","","","","","1.147","","","","has coordinates","177566","2020-10-21","18:00:00",""
"7224602","32.871","0.002","32.871","0.002","24.1978","0.0015","90","","90","","120","","22643","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H54 N10 O8 -","- C52 H54 N10 O8 -","- C936 H972 N180 O144 -","18","1","","Xu, Hui; Qian, Fang-Jun; Wu, Qiao Xia; Xue, Min; Yang, Yong; Chen, Yong-Xiang","Azacalix[2]arene[2]carbazoles: Synthesis, Structure and Properties","RSC Adv.","2016","","","","","10.1039/C6RA01197G","","","1.54184","CuKα","","0.1982","0.1359","","","0.4018","0.4422","","","","","","1.345","","","","has coordinates","178168","2020-10-21","18:00:00",""
"7224988","31.5821","0.0012","31.5821","0.0012","5.8362","0.0005","90","","90","","120","","5041.3","0.5","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C252 H162 N54 -","9","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1191","0.0411","","","0.0906","0.1006","","","","","","0.713","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7225278","15.4391","0.0012","15.4391","0.0012","31.782","0.004","90","","90","","120","","6560.8","1.1","140","1","140","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C46 H64 Br3 Cl3 O9 -","- C50.41 H40 Br3 Cl3 O4.53 -","- C302.46 H240 Br18 Cl18 O27.18 -","6","0.333333","","Islam, Md. Monarul; Akther, Thamina; Ikejiri, Yusuke; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris Elias; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Synthesis, structural properties, electrophilic substitution reactions and DFT computational studies of calix[3]benzofurans","RSC Adv.","2016","","","","","10.1039/C6RA06219A","","","0.71073","Mo-Kα","","0.1143","0.0722","","","0.1377","0.1491","","","","","","1.119","","","","has coordinates","183026","2020-10-21","18:00:00",""
"7225279","19.3942","0.0014","19.3942","0.0014","16.5448","0.0006","90","","90","","120","","5389.3","0.6","123","","123","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H42 O3 -","- C39 H42 O3 -","- C234 H252 O18 -","6","0.333333","","Islam, Md. Monarul; Akther, Thamina; Ikejiri, Yusuke; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris Elias; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Synthesis, structural properties, electrophilic substitution reactions and DFT computational studies of calix[3]benzofurans","RSC Adv.","2016","","","","","10.1039/C6RA06219A","","","1.54187","CuKα","","0.0708","0.0647","","","0.1425","0.1455","","","","","","1.154","","","","has coordinates","183026","2020-10-21","18:00:00",""
"7225973","27.148","0.004","27.148","0.004","9.957","0.003","90","","90","","120","","6355","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 Cd3 Cl2 N18 -","- C8 H10 Cd3 Cl2 N18 -","- C72 H90 Cd27 Cl18 N162 -","9","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0238","0.0211","","","0.0553","0.0569","","","","","","1.07","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7226073","15.5335","0.0005","15.5335","0.0005","36.608","0.002","90","","90","","120","","7649.7","0.5","150","3","150","3","","","","","","","","6","R -3 :H","-R 3","148","[Na2Cr3]n","complex 5","","- C36 H39 Cr3 N6 Na3 O19 -","- C36 H39 Cr3 N6 Na3 O19 -","- C216 H234 Cr18 N36 Na18 O114 -","6","0.333333","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.7107","MoKα","","0.0523","0.0473","","","0.1281","0.1304","","","","","","1.146","","","","has coordinates","184718","2020-10-21","18:00:00",""
"7227181","35.2832","0.0009","35.2832","0.0009","5.20165","0.00013","90","","90","","120","","5608","0.2","183","2","183","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H12.33 N2 O1.17 -","- C15 H12 N2 O1.1667 -","- C270 H216 N36 O21.0006 -","18","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","1.54184","CuKα","","0.0506","0.0474","","","0.1566","0.1608","","","","","","1.09","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227242","38.569","0.009","38.569","0.009","28.647","0.009","90","","90","","120","","36905","17","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H20 N4 O20 Zn4 -","- C32 H20 N4 O20 Zn4 -","- C576 H360 N72 O360 Zn72 -","18","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1442","0.1307","","","0.4007","0.4265","","","","","","1.053","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227256","31.935","0.002","31.935","0.002","6.3894","0.0005","90","","90","","120","","5643.2","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H11 N3 Se -","- C13 H11 N3 Se -","- C234 H198 N54 Se18 -","18","1","","Sharma, Nidhi; Kumar, Sanjeev; Maurya, Indresh K.; Bhasin, K. K.; Verma, Ajay; Wangoo, Nishima; Bhasin, Aman K. K.; Mehta, S. K.; Kumar, Sangit; Sharma, Rohit K.","Synthesis, structural analysis, antimicrobial evaluation and synergistic studies of imidazo[1,2-a]pyrimidine chalcogenides","RSC Adv.","2016","6","115","114224","","10.1039/C6RA24020H","","x-ray","0.71073","MoKα","","0.076","0.0442","","","0.1088","0.1186","","","","","","1.102","","","","has coordinates","189025","2020-10-21","18:00:00",""
"7227417","44.728","0.003","44.728","0.003","12.044","0.0009","90","","90","","120","","20867","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H33 N2 O5 P2 Re -","- C40 H33 N2 O5 P2 Re -","- C720 H594 N36 O90 P36 Re18 -","18","1","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0707","0.0465","","","0.103","0.111","","","","","","1.072","","","","has coordinates,has disorder","190378","2020-10-21","18:00:00",""
"7227827","29.144","0.0011","29.144","0.0012","12.032","0.0004","90","","90","","120","","8850.5","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H46 Mo8 N2 O28 -","- C16 H46 Mo8 N2 O28 -","- C144 H414 Mo72 N18 O252 -","9","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0324","0.0246","","","0.0544","0.0578","","","","","","1.035","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227916","14.221","0.0001","14.221","","9.5733","0.0001","90","","90","","120","","1676.69","0.02","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Al2 Cd O4 -","- Al2 Cd O4 -","- Al36 Cd18 O72 -","18","1","","Ran, Weiguang; Wang, Lili; Liu, Qingzhi; Liu, Guangzeng; Qu, Dan; Pan, Xiaohua; Shi, Jinsheng","Mn2+ doped CdAl2O4 phosphors with new structure and special fluorescence properties: experimental and theoretical analysis","RSC Adv.","2017","7","29","17612","","10.1039/C7RA01623A","","","","","","","","","","","","","","","","","","","","","has coordinates","194403","2020-10-21","18:00:00",""
"7227917","18.9711","0.0009","18.9711","0.0009","44.954","0.002","90","","90","","120","","14011.5","1.1","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H11 Cu N O4 -","- C19 H7 Cu N O4 -","- C342 H126 Cu18 N18 O72 -","18","1","","Wang, Di; Sun, Libo; Liu, Yuchuan; Du, Jianfeng; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Synthesis, structure and gas adsorption properties of a stable microporous Cu-based metal‒organic framework assembled from a T-shaped pyridyl dicarboxylate ligand","RSC Adv.","2017","7","29","17697","","10.1039/C7RA01125C","","","0.71073","MoKα","","0.0735","0.0597","","","0.2127","0.2315","","","","","","1.184","","","","has coordinates","194404","2020-10-21","18:00:00",""
"7227960","14.09","0.002","14.09","0.002","31.201","0.006","90","","90","","120","","5364.4","1.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H42 Ag8 I14 N12 O0 -","- C36 H42 Ag8 I14 N12 -","- C108 H126 Ag24 I42 N36 -","3","0.166667","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0484","0.0417","","","0.0925","0.0954","","","","","","1.094","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227994","28.246","0.004","28.246","0.004","10.965","0.003","90","","90","","120","","7576","3","371","1","371","1","","","","","","","","4","R -3 :H","-R 3","148","S-Dianin's Compound with IPA guest, Type I cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C18.3334 H20 O1.08333 S -","- C330.001 H360 O19.5 S18 -","18","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.2061","0.1493","","","0.3289","0.4072","","","","","","1.981","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227995","56.1623","0.0004","56.1623","0.0004","10.88656","0.00012","90","","90","","120","","29738","0.4","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0511","0.0457","","","0.1326","0.1435","","","","","","1","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227996","56.4934","0.0004","56.4934","0.0004","10.9041","0.0001","90","","90","","120","","30138.1","0.4","295","1","295","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0592","0.0545","","","0.1552","0.1614","","","","","","1.026","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227998","111.791","0.0004","111.791","0.0004","10.8568","0.0001","90","","90","","120","","117502","1.2","90","1","90","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6667 O1.33333 S -","- C5472 H6528 O383.999 S288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0652","0.0608","","","0.1736","0.1775","","","","","","1.048","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227999","113.983","0.005","113.983","0.005","10.7937","0.0007","90","","90","","120","","121445","11","120","2","120","1","","","","","","","","4","R -3 :H","-R 3","148","SelenaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylselenachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 Se -","- C19 H20.4167 O1.33333 Se -","- C5472 H5880 O383.999 Se288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","0.71073","MoKα","","0.1743","0.1092","","","0.2502","0.2638","","","","","","1.491","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7228097","8.5676","0.0002","8.5676","0.0002","23.7293","0.0009","90","","90","","120","","1508.46","0.08","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H22 Cr K N2 O12 -","- C9.9996 H21.9984 Cr K N1.9998 O12 -","- C29.9988 H65.9952 Cr3 K3 N5.9994 O36 -","3","0.166667","","Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw","Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP01336A","","x-ray","0.71073","MoKα","","0.0358","0.0304","","","0.0725","0.0751","","","","","","1.125","","","","has coordinates","195650","2020-10-21","18:00:00",""
"7228254","35.9593","0.0006","35.9593","0.0006","25.1227","0.0003","90","","90","","120","","28133.2","0.7","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Br4 N6 O3 Zn2 -","- C54 H44 Br4 N6 O3 Zn2 -","- C486 H396 Br36 N54 O27 Zn18 -","9","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.34143","GaKα","","0.1242","0.0898","","0.0924","0.0719","0.071","","","","","","0.9393","","","","has coordinates","196605","2020-10-21","18:00:00",""
"7228350","14.6829","0.0003","14.6829","0.0003","57.9972","0.0011","90","","90","","120","","10828.3","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","1,3,5-tris(2-(tert-Butyl)pyrazolo[1,5-a]pyrimidin-7-yl)benzene","","- C150 H162 N36 -","- C150 H162 N36 -","- C450 H486 N108 -","3","0.166667","","Castillo, Juan-Carlos; Rosero, Hernán-Alejandro; Portilla, Jaime","Simple access toward 3-halo- and 3-nitro-pyrazolo[1,5-a]pyrimidines through a one-pot sequence","RSC Adv.","2017","7","45","28483","","10.1039/C7RA04336H","","","0.7107","MoKα","","0.0727","0.0672","","","0.2033","0.2055","","","","","","1.19","","","","has coordinates","197130","2020-10-21","18:00:00",""
"7228705","26.7166","0.0008","26.7166","0.0008","21.7748","0.0013","90","","90","","120","","13460.1","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H27 Co N4 O6 -","- C26 H25 Co N4 O6 -","- C468 H450 Co18 N72 O108 -","18","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.076","0.0491","","","0.1457","0.1732","","","","","","1.17","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228753","31.206","0.0007","31.206","0.0007","10.5025","0.0003","90","","90","","120","","8857.3","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H9 N O5 Zn -","- C13 H9 N O5 Zn -","- C234 H162 N18 O90 Zn18 -","18","1","","Song, Jiang-Feng; Luo, Jing-Jing; Jia, Ying-Ying; Xin, Li-Dong; Lin, Zhi-Zhu; Zhou, Rui-Sha","Solvent-induced construction of two zinc supramolecular isomers: synthesis, framework flexibility, sensing properties, and adsorption of dye molecules","RSC Adv.","2017","7","58","36575","","10.1039/C7RA05049F","","","0.71073","MoKα","","0.0495","0.0361","","","0.1128","0.129","","","","","","0.862","","","","has coordinates","199041","2020-10-21","18:00:00",""
"7228986","24.4075","0.0013","24.4075","0.0013","23.4369","0.0016","90","","90","","120","","12091.4","1.2","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H81 Cl6 N O3 Ti3 -","- C60 H81 Cl6 N O3 Ti3 -","- C360 H486 Cl36 N6 O18 Ti18 -","6","0.333333","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1434","0.075","","","0.1975","0.2317","","","","","","0.984","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7229300","43.677","0.002","43.677","0.002","12.14","0.001","90","","90","","120","","20056","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C312 H372 O -","- C312 H372 O -","- C936 H1116 O3 -","3","0.166667","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.1763","0.091","","","0.2535","0.318","","","","","","0.99","","","","has coordinates,has disorder","201850","2020-10-21","18:00:00",""
"7229427","32.92","0.002","32.92","0.002","9.3598","0.0006","90","","90","","120","","8784.5","0.9","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H22 N6 S2 Zn -","- C38 H22 N6 S2 Zn -","- C342 H198 N54 S18 Zn9 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0635","0.0382","","","0.0935","0.1027","","","","","","1.04","","","","has coordinates,has disorder","202440","2020-10-21","18:00:00",""
"7229433","32.7506","0.0017","32.7506","0.0017","9.1292","0.0004","90","","90","","120","","8480.1","0.7","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H24 Co N8 O4 -","- C42 H24 Co N8 O4 -","- C378 H216 Co9 N72 O36 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0669","0.042","","","0.0887","0.0983","","","","","","1.005","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7230794","13.85","0.001","13.85","0.001","43.014","0.004","90","","90","","120","","7145.6","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H66 F N8 O6 -","- C42.9983 H66 F N8 O6 -","- C257.99 H396 F6 N48 O36 -","6","0.333333","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1189","0.0821","","","0.2513","0.2837","","","","","","1.18","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230806","14.5906","0.0001","14.5906","0.0001","32.7775","0.0005","90","","90","","120","","6043","0.11","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0422333 Pb -","- C36 H180 I72 N36 O0.7602 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0399","0.0315","","","0.0364","0.0378","","","","1.66","1.66","1.49","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230807","14.5645","0.0001","14.5645","0.0001","32.7195","0.0004","90","","90","","120","","6010.75","0.09","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0423333 Pb -","- C36 H180 I72 N36 O0.762 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0448","0.0389","","","0.0467","0.048","","","","2","2","1.85","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7231364","7.9386","0.0005","7.9386","0.0005","21.494","0.003","90","","90","","120","","1173.1","0.19","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H14 Cr N2 Na O12 -","- C6 H14 Cr N2 Na O12 -","- C18 H42 Cr3 N6 Na3 O36 -","3","0.166667","","Ptak, Maciej; Stefańska, Dagmara; Gągor, Anna; Svane, Katrine L.; Walsh, Aron; Paraguassu, Waldeci","Heterometallic perovskite-type metal-organic framework with an ammonium cation: structure, phonons, and optical response of [NH<sub>4</sub>]Na<sub>0.5</sub>Cr<sub>x</sub>Al<sub>0.5-x</sub>(HCOO)<sub>3</sub> (x = 0, 0.025 and 0.5).","Physical chemistry chemical physics : PCCP","2018","20","34","22284","22295","10.1039/c8cp03788d","","","0.71073","MoKα","","0.0658","0.0399","","","0.0827","0.0918","","","","","","1.018","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231770","50.127","0.009","50.127","0.009","12.4583","0.0004","90","","90","","120","","27110","7","100","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/(±)-octopamine complex","","","- C44 H72.67 Cl N25 O26.33 -","- C44 H48 Cl N25 O26.3333 -","- C792 H864 Cl18 N450 O474 -","18","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.2244","0.1243","","","0.2721","0.3121","","","","","","1.007","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7232100","37.3853","0.0007","37.3853","0.0007","11.2109","0.0002","90","","90","","120","","13569.8","0.4","120","2","120.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","2","","","- C34 H34 Br2 O4 -","- C34 H34 Br2 O4 -","- C612 H612 Br36 O72 -","18","1","","Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J.","A self-assembled nanotube supported by halogen bonding interactions","CrystEngComm","2019","21","5","786","","10.1039/C8CE01824C","","","0.71073","MoKα","","0.0876","0.0523","","","0.1054","0.1164","","","","","","1.088","","","","has coordinates","223550","2020-10-21","18:00:00",""
"7232487","21.5089","0.0016","21.5089","0.0016","58.751","0.005","90","","90","","120","","23539","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.67 H32 N6.67 Ni5 O33.67 P0.67 W6 -","- C16.6667 H4 N6.66667 Ni5 O33.6667 P0.666667 W6 -","- C300 H72 N120 Ni90 O606 P12 W108 -","18","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.0941","0.0712","","","0.2003","0.2162","","","","","","1.044","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7233559","18.706","0.0007","18.706","0.0007","29.477","0.002","90","","90","","120","","8932.6","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H42 F6 N6 Pt -","- C42 H42 F6 N6 Pt -","- C378 H378 F54 N54 Pt9 -","9","0.5","","Li-Min Huang; Guan-Min Tu; Yun Chi; Wen-Yi Hung; Yo-Cheng Song; Mei-Rurng Tseng; Pi-Tai Chou; Gene-Hsiang Lee; Ken-Tsung Wong; Shuo-Hsien Cheng; Wan-Shan Tsai","Mechanoluminescent and efficient white OLEDs for Pt(II) phosphors bearing spatially encumbered pyridinyl pyrazolate chelates","Journal of Materials Chemistry C","2012","1","","7582","7592","10.1039/C3TC31524J","","","0.71073","MoKα","","0.045","0.0414","","","0.0936","0.1033","","","","","","1.08","","","","has coordinates,has disorder","217838","2020-10-21","18:00:00",""
"7233643","30.3853","0.0006","30.3853","0.0006","10.535","0.0002","90","","90","","120","","8423.5","0.3","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 B N O2 -","- C24 H22 B N O2 -","- C432 H396 B18 N18 O36 -","18","1","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0514","0.0406","","","0.06","0.0604","","","","3.57","3.57","3.24","","","","has coordinates","217972","2020-10-21","18:00:00",""
"7233768","14.6288","0.0014","14.6288","0.0014","33.985","0.003","90","","90","","120","","6298.5","1","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C51 H39 Fe O9 -","- C51 H39 Fe O9 -","- C306 H234 Fe6 O54 -","6","0.333333","","M. Lozano Gonzalez; M. E. Sanchez-Vergara; J. R. Alvarez-Bada; M. I. Chavez-Uribe; Ruben A. Toscano; C. Alvarez-Toledano","Synthesis and optical properties of iron(III) complexes of 2- benzylidene-1-indanone derivative thin films","Journal of Materials Chemistry C","2014","2","","5607","5614","10.1039/C4TC00599F","","","0.71073","MoKα","","0.1346","0.0601","","","0.1289","0.1614","","","","","","1.012","","","","has coordinates","218165","2020-10-21","18:00:00",""
"7233921","20.496","0.003","20.496","0.003","33.675","0.006","90","","90","","120","","12251","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H55 Cl7 Cu6 N18 O49 -","- C24 H39 Cl7 Cu6 N18 O49 -","- C144 H234 Cl42 Cu36 N108 O294 -","6","0.333333","","Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso","Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks","RSC Advances","2019","9","50","29357","","10.1039/C9RA05922A","","","0.71073","MoKα","","0.1521","0.1021","","","0.2846","0.3377","","","","","","1.049","","","","has coordinates","218413","2020-10-21","18:00:00",""
"7234093","40.894","0.006","40.894","0.006","9.173","0.0018","90","","90","","120","","13285","4","198","","198","","","","","","","","see text","5","R -3 :H","-R 3","148","","","","- C34 H24 N2 O2 Pt -","- C34 H24 N2 O2 Pt -","- C612 H432 N36 O36 Pt18 -","18","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0372","0.0285","","","0.0653","0.0678","","","","","","1.144","","","","has coordinates","218759","2020-10-21","18:00:00",""
"7234245","24.4661","0.001","24.4661","0.001","20.545","0.002","90","","90","","120","","10650.4","1.2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","PYPN","2-(pyren-1-yl)-1H-phenanthro[9,10-d]imidazole","","- C31 H18 N2 -","- C31 H18 N2 -","- C558 H324 N36 -","18","1","","Madayanad Suresh Subeesh; Kanagaraj Shanmugasundaram; Chozhidakath Damodharan Sunesh; Yong Sun Won; Youngson Choe","Utilization of a phenanthroimidazole based fluorophore in light-emitting electrochemical cells","Journal of Materials Chemistry C","2015","3","","4683","4687","10.1039/C5TC00151J","","","0.71073","MoKα","","0.1547","0.0735","","","0.1903","0.2145","","","","","","1.04","","","","has coordinates","218931","2020-10-21","18:00:00",""
"7234456","45.0597","0.0017","45.0597","0.0017","9.1311","0.0003","90","","90","","120","","16055.7","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H10 N O2 P -","- C12.0938 H8.4375 N0.84375 O0.28125 P0.28125 -","- C774 H540 N54 O18 P18 -","64","3.55556","","Mingzhi Sun; Liping Zhu; Wenjing Kan; Ying Wei; Dongge Ma; Xuefeng Fan; Wei Huang; Hui Xu","Ternary donor-acceptor phosphine oxide hosts with peculiar high energy gap for efficient blue electroluminescence","Journal of Materials Chemistry C","2015","3","","9469","9478","10.1039/C5TC02029H","","","0.71073","MoKα","","0.0818","0.0623","","","0.172","0.1882","","","","","","1.032","","","","has coordinates","219154","2020-10-21","18:00:00",""
"7234491","17.2701","0.0018","17.2701","0.0018","14.6308","0.0018","90","","90","","120","","3779.1","0.7","25","2","25","2","","","","","","","","5","R -3 :H","-R 3","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C54 H36 Br45 Mo18 Se36 -","3","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.7107","MoKα","","0.0354","0.0322","","","0.0669","0.0691","","","","","","1.13","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234494","16.9464","0.0013","16.9464","0.0013","14.0495","0.0014","90","","90","","120","","3494.2","0.5","25","2","25","2","","","","","","","","5","R -3 :H","-R 3","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C54 H36 Cl45 Mo18 Se36 -","3","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.7107","MoKα","","0.0168","0.0151","","","0.0322","0.0325","","","","","","1.043","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234925","11.2465","0.0003","11.2465","0.0003","11.2217","0.0006","90","","90","","120","","1229.2","0.08","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba0.5 Ga0.33 I2 O6 -","- Ba0.5 Ga0.333333 I2 O6 -","- Ba4.5 Ga3 I18 O54 -","9","0.5","","Xiao, Lei; You, Fengguang; Gong, Pifu; Hu, Zhanggui; Lin, Zheshuai","Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12","CrystEngComm","2019","21","33","4981","","10.1039/C9CE00814D","","","0.71073","MoKα","","0.0409","0.0397","","","0.0941","0.0948","","","","","","1.083","","","","has coordinates","223244","2020-10-21","18:00:00",""
"7234969","27.693","0.003","27.693","0.003","11.1885","0.001","90","","90","","120","","7430.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C234 H252 Fe9 N54 S18 -","9","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.1073","0.0676","","","0.1526","0.171","","","","","","1.04","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7235227","30.1293","0.0019","30.1293","0.0019","8.9281","0.0006","90","","90","","120","","7018.9","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H24 Cl4 Cu N2 O5 -","- C24 H16 Cu N2 O4 -","- C216 H144 Cu9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0369","0.0339","","","0.1079","0.1094","","","","","","1.106","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235231","31.087","0.008","31.087","0.008","8.954","0.002","90","","90","","120","","7494","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 Cl2 Co N2 O6 -","- C24 H16 Co N2 O4 -","- C216 H144 Co9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.1058","0.0538","","","0.1281","0.1465","","","","","","0.944","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235251","25.3399","0.0009","25.3399","0.0009","8.0684","0.0002","90","","90","","120","","4486.7","0.3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2,2'-(Ethane-1,2-diylbis(azanediyl))bis(1-ethylpyridin-1-ium) chloride","","- C16 H24 I2 N4 -","- C16 H24 I2 N4 -","- C144 H216 I18 N36 -","9","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.0497","0.0373","","","0.0913","0.0992","","","","","","1.037","","","","has coordinates,has disorder","231192","2020-10-21","18:00:00",""
"7235577","17.93","0.008","17.93","0.008","25.611","0.008","90","","90","","120","","7130","5","80","2","80","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51.5 H35.4 Co3 N9 O10.7 -","- C51.492 H35.013 Co3 N9 O10.682 -","- C308.952 H210.078 Co18 N54 O64.092 -","6","0.333333","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.17","0.0795","","","0.1355","0.1683","","","","","","1.022","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235834","30.9719","0.0012","30.9719","0.0012","15.8055","0.0012","90","","90","","120","","13130.3","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C55 H56 Co3 N6 O16 -","- C55 H56 Co3 N6 O16 -","- C495 H504 Co27 N54 O144 -","9","0.5","","Zhao, Jun; Dong, Wen-Wen; Wu, Ya-Pan; Wang, Ye-Nan; Wang, Chao; Li, Dong-Sheng; Zhang, Qi-Chun","Two (3,6)-connected porous metal‒organic frameworks based on linear trinuclear [Co3(COO)6] and paddlewheel dinuclear [Cu2(COO)4] SBUs: gas adsorption, photocatalytic behaviour, and magnetic properties","Journal of Materials Chemistry A","2015","3","13","6962","","10.1039/C4TA06537A","","","0.71073","MoKα","","0.0884","0.0787","","","0.172","0.1758","","","","","","1.048","","","","has coordinates,has disorder","233371","2020-10-21","18:00:00",""
"7235835","30","0.0016","30","0.0016","16","0.0002","90","0.002","90","0.003","120","0.003","12470.8","1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H7 Cu O6 -","- C15 H7 Cu O6 -","- C270 H126 Cu18 O108 -","18","1","","Zhao, Jun; Dong, Wen-Wen; Wu, Ya-Pan; Wang, Ye-Nan; Wang, Chao; Li, Dong-Sheng; Zhang, Qi-Chun","Two (3,6)-connected porous metal‒organic frameworks based on linear trinuclear [Co3(COO)6] and paddlewheel dinuclear [Cu2(COO)4] SBUs: gas adsorption, photocatalytic behaviour, and magnetic properties","Journal of Materials Chemistry A","2015","3","13","6962","","10.1039/C4TA06537A","","","0.71073","MoKα","","0.0619","0.0509","","","0.1508","0.1594","","","","","","1.076","","","","has coordinates","233371","2020-10-21","18:00:00",""
"7236438","32.5484","0.0012","32.5484","0.0012","8.2649","0.0003","90","","90","","120","","7582.8","0.5","110","","110","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C306 H486 N18 O72 -","18","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0779","0.069","","","0.2017","0.2154","","","","","","1.071","","","","has coordinates","235511","2020-10-21","18:00:00",""
"7236507","17.4511","0.0007","17.4511","0.0007","40.5949","0.0016","90","","90","","120","","10706.5","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H42 Eu2 N12 O24 -","- C48 H42 Eu2 N12 O24 -","- C288 H252 Eu12 N72 O144 -","6","0.333333","","Zhou, Jing-Jing; Song, Xue-Qin; liu, Yuan-Ang; Wang, Xiao-Long","Substituent-tuned structure and luminescence sensitizing towards Al3+ based on phenoxy bridged dinuclear EuIII complexes","RSC Advances","2017","7","41","25549","","10.1039/C7RA02386C","","","0.71","MoKα","","0.0772","0.0539","","","0.1675","0.182","","","","","","1.036","","","","has coordinates,has disorder","236240","2020-10-21","18:00:00",""
"7236594","33.0267","0.0005","33.0267","0.0005","9.1815","0.0003","90","","90","","120","","8673.1","0.3","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","","BUT-83","","- C44 H24 Co N6 O4 -","- C44 H24 Co N6 O4 -","- C396 H216 Co9 N54 O36 -","9","0.5","","Wu, Hao; Yang, Fan; Lv, Xiu-Liang; Wang, Bin; Zhang, Yong-Zheng; Zhao, Min-Jian; Li, Jian-Rong","A stable porphyrinic metal‒organic framework pore-functionalized by high-density carboxylic groups for proton conduction","Journal of Materials Chemistry A","2017","5","28","14525","","10.1039/C7TA03917D","","x-ray","1.54178","CuKα","","0.124","0.0792","","","0.2131","0.2607","","","","","","1.064","","","","has coordinates","236337","2020-10-21","18:00:00",""
"7236649","33.0984","0.0019","33.0984","0.0019","9.3673","0.0011","90","","90","","120","","8887.1","1.3","195","2","195","2","","","","","","","","4","R -3 :H","-R 3","148","","[TPyP-Cu]n","","- C40 H24 Cu N8 -","- C40 H24 Cu N8 -","- C360 H216 Cu9 N72 -","9","0.5","","Lin, Qipu; Mao, Chengyu; Kong, Aiguo; Bu, Xianhui; Zhao, Xiang; Feng, Pingyun","Porphyrinic coordination lattices with fluoropillars","J. Mater. Chem. A","2017","5","40","21189","","10.1039/C7TA06658A","","","0.71073","MoKα","","0.0736","0.0444","","","0.0836","0.0899","","","","","","1.002","","","","has coordinates","236384","2020-10-21","18:00:00",""
"7237058","28.1564","0.0014","28.1564","0.0014","32.14","0.003","90","","90","","120","","22066","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H18 O4.33 Zn1.33 -","- C28 H18 O4.33333 Zn1.33333 -","- C504 H324 O78 Zn24 -","18","1","","Liu, Xun-Gao; Tao, Chen-Lei; Yu, Huang-Qin; Chen, Bin; Liu, Zhen; Zhu, Gen-Ping; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","A new luminescent metal‒organic framework based on dicarboxyl-substituted tetraphenylethene for efficient detection of nitro-containing explosives and antibiotics in aqueous media","Journal of Materials Chemistry C","2018","6","12","2983","","10.1039/C7TC05535H","","","0.71073","MoKα","","0.1291","0.0592","","","0.133","0.1425","","","","","","1.033","","","","has coordinates,has disorder","236746","2020-10-21","18:00:00",""
"7237522","6.9794","0.0003","6.9794","0.0003","16.9761","0.0012","90","","90","","120","","716.15","0.07","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Ba2 Mg N6 O6 -","- C6 Ba2 Mg1.00002 N6 O6 -","- C18 Ba6 Mg3.00006 N18 O18 -","3","0.166667","","Li, Zhuang; Liang, Fei; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Zhang, Guochun; Yin, Wenlong; Wu, Yicheng; Chen, Chuangtian","Ba2M(C3N3O3)2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C3N3O3)3− group","Journal of Materials Chemistry C","2018","6","47","12879","","10.1039/C8TC04710C","","","0.71073","MoKα","","0.0196","0.0173","","","0.0439","0.0474","","","","","","1.2629","","","","has coordinates","237746","2020-10-21","18:00:00",""
"7237523","7.061","0.0006","7.061","0.0006","17.976","0.002","90","","90","","120","","776.17","0.13","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Ba2 Ca N6 O6 -","- C6 Ba2 Ca1.00002 N6 O6 -","- C18 Ba6 Ca3.00006 N18 O18 -","3","0.166667","","Li, Zhuang; Liang, Fei; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Zhang, Guochun; Yin, Wenlong; Wu, Yicheng; Chen, Chuangtian","Ba2M(C3N3O3)2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C3N3O3)3− group","Journal of Materials Chemistry C","2018","6","47","12879","","10.1039/C8TC04710C","","","0.71073","MoKα","","0.0157","0.0149","","","0.0365","0.0367","","","","","","1.036","","","","has coordinates","237746","2020-10-21","18:00:00",""
"7237693","35.9998","0.001","35.9998","0.001","7.8373","0.0004","90","","90","","120","","8796.2","0.6","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12.54 H13.94 Ag F5 N4.85 O2.85 S -","- C12.544 H13.936 Ag F5 N4.848 O2.848 S -","- C225.792 H250.848 Ag18 F90 N87.264 O51.264 S18 -","18","1","","Chang, Zhiduo; Lin, Rui-Biao; Ye, Yingxiang; Duan, Chunying; Chen, Banglin","Construction of a thiourea-based metal‒organic framework with open Ag+ sites for the separation of propene/propane mixtures","Journal of Materials Chemistry A","2019","7","44","25567","","10.1039/C9TA08614E","","","0.71073","MoKα","","0.0925","0.0791","","","0.2427","0.2572","","","","","","1.056","","","","has coordinates,has disorder","238530","2020-10-21","18:00:00",""
"7238124","35.873","0.002","35.873","0.002","6.108","0.01","90","","90","","120","","6807","11","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","Bis(4-hydroxyphenyl)phenylmethane","Bis(4-hydroxyphenyl)phenylmethane","","- C114 H98 O13 -","- C19 H16 O2.16667 -","- C342 H288 O39 -","18","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0751","0.0572","","","0.1643","0.1841","","","","","","1.037","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238351","16.147","0.003","16.147","0.003","16.624","0.004","90","","90","","120","","3753.6","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H40 N2 O12 Zn3 -","- C57.9 H39.9 N1.98 O12 Zn3 -","- C173.7 H119.7 N5.94 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1181","0.0448","","","0.0488","0.0551","","","","","","0.8","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238352","16.117","0.003","16.117","0.003","18.073","0.005","90","","90","","120","","4065.6","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H38 N2 O12 Zn3 -","- C57.9 H37.92 N2 O12 Zn3 -","- C173.7 H113.76 N6 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.0682","0.0407","","","0.0871","0.0946","","","","","","0.873","","","","has coordinates","244126","2020-10-21","18:00:00",""
"7238541","29.667","0.004","29.667","0.004","22.161","0.006","90","","90","","120","","16891","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C131 H204 N90 O23 Zn7 -","- C78 H72 N78 O6 Zn7 -","- C234 H216 N234 O18 Zn21 -","3","0.166667","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71069","MoKα","","0.2034","0.1147","","","0.3185","0.382","","","","","","1.181","","","","has coordinates","244224","2020-10-21","18:00:00",""
"7238639","17.7499","0.0006","17.7499","0.0006","24.507","0.0008","90","","90","","120","","6686.7","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","10,11,12,13-Tetrahydrophenanthro(9,10-b)benzofuran-13-ol","10,11,12,13-Tetrahydrophenanthro[9,10-b]benzofuran-13-ol","","- C20 H16 O2 -","- C20 H16 O2 -","- C360 H288 O36 -","18","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.0529","0.0385","","","0.1177","0.1257","","","","","","0.923","","","","has coordinates","244268","2020-10-21","18:00:00",""
"7238690","27.0951","0.0007","27.0951","","10.349","0.0003","90","","90","","120","","6579.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C17 H13 Fe N O -","- C17 H13 Fe N O -","- C306 H234 Fe18 N18 O18 -","18","1","","Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence","Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters","RSC Advances","2012","2","18","7030","","10.1039/c2ra21045b","","x-ray","0.71073","MoKα","","0.0315","0.0288","","","0.0856","0.0872","","","","","","1.074","","","","has coordinates","244294","2020-10-21","18:00:00",""
"7238763","36.82","0.005","36.82","0.005","45.036","0.009","90","","90","","120","","52876","15","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C120 H90 Co6.5 N3 O29 -","- C120 H88.3333 Co6.5 N3 O29 -","- C2160 H1590 Co117 N54 O522 -","18","1","","Yoon, Jung Hee; Kim, Dongwook; Song, Xiaokai; Han, Seungwan; Shin, Jiho; Hong, Suk Bong; Lah, Myoung Soo","Microporous metal‒organic framework containing cages with adjustable portal dimensions for adsorptive CO2 separation","RSC Advances","2012","2","30","11566","","10.1039/c2ra22118g","","","0.71073","MoKα","","0.0807","0.0645","","","0.1482","0.1542","","","","","","1.047","","","","has coordinates,has disorder","244337","2020-10-21","18:00:00",""
"7239186","29.024","0.003","29.024","0.003","11.2581","0.0011","90","","90","","120","","8213.2","1.4","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H69 Cl6 Cu6 N21 -","- C84 H69 Cl6 Cu6 N21 -","- C252 H207 Cl18 Cu18 N63 -","3","0.166667","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.098","0.0608","","","0.168","0.2003","","","","","","1.057","","","","has coordinates,has disorder","244594","2020-10-21","18:00:00",""
"7239661","50.711","0.002","50.711","0.002","12.5325","0.0008","90","","90","","120","","27911","2","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/dopamine complex","","","- C44 H76 Cl N25 O28 -","- C44 H48 Cl N25 O27.916 -","- C792 H864 Cl18 N450 O502.488 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1104","0.0938","","","0.2792","0.3057","","","","","","1.105","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239662","48.442","0.002","48.442","0.002","12.4117","0.0004","90","","90","","120","","25223.5","1.7","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","'cucurbit[6]uril/dopamine complex - dried in air'","","","- C44 H62.67 Cl N25 O21.33 -","- C44 H48 Cl N25 O20.9493 -","- C792 H864 Cl18 N450 O377.088 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1379","0.1165","","","0.3189","0.3422","","","","","","1.129","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239810","24.322","0.003","24.322","0.003","21.069","0.003","90","","90","","120","","10794","2","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H102 Cu6 N32 O24 -","- C168 H102 Cu6 N31.44 O24.78 -","- C504 H306 Cu18 N94.32 O74.34 -","3","0.166667","","Hossain, Sayed Muktar; Prakash, Ved; Mamidi, Prabhudutta; Chattopadhyay, Soma; Singh, Akhilesh Kumar","Pyrene-appended bipyridine hydrazone ligand as a turn-on sensor for Cu2+ and its bioimaging application","RSC Advances","2020","10","7","3646","3658","10.1039/C9RA09376A","","","1.54178","CuKα","","0.1435","0.076","","","0.1951","0.2487","","","","","","1.013","","","","has coordinates,has disorder","258091","2020-10-21","18:00:00",""
"7239853","8.8569","0.0003","8.8569","0.0003","19.0362","0.0009","90","","90","","120","","1293.23","0.09","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co N10 Rb -","- C11.001 Co N6 Rb -","- C33.003 Co3 N18 Rb3 -","3","0.166667","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0784","0.0748","","","0.2396","0.2415","","","","","","1.284","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7240571","27.3745","0.0002","27.3745","0.0002","21.5185","0.0003","90","","90","","120","","13964.8","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H27 Cd N5 O5 -","- C24 H20 Cd N4 O4 -","- C432 H360 Cd18 N72 O72 -","18","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0447","0.0401","","","0.1031","0.1056","","","","","","1.054","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7241127","32.2321","0.0019","32.2321","0.0019","14.2264","0.0011","90","","90","","120","","12799.8","1.5","291","2","291","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H12 N4 O4 Zn -","- C20 H12 N4 O4 Zn -","- C360 H216 N72 O72 Zn18 -","18","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0599","0.0383","","","0.0923","0.0945","","","","","","1.091","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241331","33.388","0.005","33.388","0.005","22.267","0.004","90","","90","","120","","21497","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C94 H84 N2 O18 Zn -","- C94 H84 N2 O18 Zn -","- C846 H756 N18 O162 Zn9 -","9","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0888","0.0707","","","0.2102","0.2269","","","","","","1.042","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241351","36.5063","0.0013","36.5063","0.0013","28.7488","0.0011","90","","90","","120","","33181","2","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H270 Co24 N18 O84 S30 -","- C270 H270 Co24 N18 O84 S30 -","- C810 H810 Co72 N54 O252 S90 -","3","0.166667","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.1528","0.1198","","","0.3145","0.3424","","","","","","1.292","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241440","29.979","0.005","29.979","0.005","23.525","0.009","90","","90","","120","","18310","8","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H20 Au Cl2 F10 P -","- C37 H20 Au Cl2 F10 P -","- C666 H360 Au18 Cl36 F180 P18 -","18","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.129","0.0595","","","0.1254","0.1475","","","","","","0.905","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241660","29.8768","0.0016","29.8768","0.0016","74.341","0.003","90","","90","","120","","57468","5","150","0.1","150","0.1","","","","","","","","6","R -3 :H","-R 3","148","Pd6L12","","","- C74 H84 Au2 I2 N8 Pd -","- C74 H84 Au2 I2 N8 Pd -","- C1332 H1512 Au36 I36 N144 Pd18 -","18","1","","Zeng, Lihua; Sun, Shujian; Wei, Zhang-Wen; Xin, Yu; Liu, Liping; Zhang, Jianyong","Confinement of a Au‒N-heterocyclic carbene in a Pd6L12 metal‒organic cage","RSC Advances","2020","10","64","39323","39327","10.1039/D0RA07509D","","x-ray","1.54184","CuKα","","0.1033","0.0888","","","0.2668","0.2821","","","","","","1.059","","","","has coordinates,has disorder","259578","2020-12-06","08:35:36",""
"7242302","10.004","0.0014","10.004","0.0014","28.42","0.006","90","","90","","120","","2463.2","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 N6 O P -","- C15 H15 N6 O P -","- C90 H90 N36 O6 P6 -","6","0.333333","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0375","0.0373","","","0.1088","0.109","","","","","","1.085","","","","has coordinates","262184","2021-02-24","05:31:45",""
"7242392","11.372","0.0011","11.372","0.0011","12.5321","0.0019","90","","90","","120","","1403.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H4 I6 O20 Sr Ti -","- H4.0002 I6 O20 Sr Ti -","- H12.0006 I18 O60 Sr3 Ti3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0221","0.0191","","","0.038","0.039","","","","","","1.053","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242393","11.31","0.03","11.31","0.03","11.36","0.03","90","","90","","120","","1258","6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H6 I6 O20 Ti -","- H6 I6 O20 Ti -","- H18 I18 O60 Ti3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0361","0.0259","","","0.036","0.0382","","","","","","0.977","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242394","10.807","0.007","10.807","0.007","11.098","0.007","90","","90","","120","","1122.5","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Sn Sr -","- I6 O18 Sn Sr -","- I18 O54 Sn3 Sr3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0196","0.0172","","","0.0366","0.0374","","","","","","1.095","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242683","19.6983","0.001","19.6983","0.001","45.34","0.002","90","","90","","120","","15236","1.3","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Dy2 O16.5 -","- C32 H23 Dy2 O16.5 -","- C288 H207 Dy18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0436","0.0371","","","0.1042","0.1087","","","","","","1.057","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242686","19.6548","0.0011","19.6548","0.0011","45.295","0.003","90","","90","","120","","15153.7","1.6","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Ho2 O16.5 -","- C32 H23 Ho2 O16.5 -","- C288 H207 Ho18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0533","0.0424","","","0.1246","0.1305","","","","","","1.086","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7243036","24.4486","0.0003","24.4486","0.0003","29.1012","0.0008","90","","90","","120","","15064.3","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C28 H35 Cl2 Cu N4 O11 -","- C28 H35 Cl2 Cu N4 O11 -","- C504 H630 Cl36 Cu18 N72 O198 -","18","1","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1076","0.0859","","","0.245","0.2739","","","","","","1.052","","","","has coordinates,has disorder","266346","2021-06-10","04:38:29",""
"7243038","24.0755","0.0008","24.0755","0.0008","29.5779","0.001","90","","90","","120","","14847.3","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C252 H324 Cl18 Co9 N36 O98.25 -","- C252 H324 Cl18 Co9 N36 O98.25 -","- C504 H648 Cl36 Co18 N72 O196.5 -","2","0.111111","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1291","0.1016","","","0.2669","0.3032","","","","","","1.052","","","","has coordinates","266346","2021-06-10","04:38:31",""
"7243089","34.3408","0.0011","34.3408","0.0011","10.4316","0.0003","90","","90","","120","","10653.7","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C25 H34 N2 O2 -","- C25 H34 N2 O2 -","- C450 H612 N36 O36 -","18","1","","Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai","Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage","Green Chemistry","2021","23","15","5535","5541","10.1039/D1GC00941A","","","1.54184","CuKα","","0.1047","0.0732","","","0.2217","0.2539","","","","","","1.048","","","","has coordinates,has disorder","268826","2021-09-06","11:48:12",""
"7243362","9.606","0.0003","9.606","0.0003","23.5219","0.0013","90","","90","","120","","1879.7","0.13","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C2 H6 B12 K Li Na8 O30 -","- C2 H6 B12 K Li Na8 O30 -","- C6 H18 B36 K3 Li3 Na24 O90 -","3","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.039","0.0356","","","0.0881","0.0899","","","","","","1.097","","","","has coordinates","269669","2021-10-06","14:48:16",""
"7243523","21.023","0.002","21.023","","30.595","0.003","90","","90","","120","","11710.4","1.6","150","","150","","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C84 H54 N16 O6 S3 -","- C84 H54 N16 O6 S3 -","- C504 H324 N96 O36 S18 -","6","0.333333","","Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric","Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03346H","","x-ray","0.71073","MoKα","","0.0922","0.0611","","","0.146","0.1641","","","","","","1.008","","","","has coordinates","269160","2021-09-16","00:33:55",""
"7243546","27.0844","0.0011","27.0844","0.0011","22.219","0.002","90","","90","","120","","14115.4","1.5","297","","297","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O4 -","- C22 H14 Co N2 O4 -","- C396 H252 Co18 N36 O72 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0914","0.0651","","","0.1736","0.1891","","","","","","1.035","","","","has coordinates","271167","2021-12-07","03:05:20",""
"7243549","27.0648","0.0013","27.0648","0.0013","22.965","0.003","90","","90","","120","","14568","2","273.15","","273.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O5 -","- C22 H13 Co N2 O5 -","- C396 H234 Co18 N36 O90 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0672","0.0559","","","0.1498","0.1585","","","","","","1.04","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243715","23.078","0.003","23.078","0.003","18.3291","0.0012","90","","90","","120","","8454.1","1.6","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C252 H342 Cl18 Cu9 N54 O54 S18 -","9","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.2142","0.1033","","","0.1672","0.2052","","","","","","1.094","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243739","35.1668","0.0009","35.1668","0.0009","20.227","0.0006","90","","90","","120","","21663.5","1","190","2","190","2","","","","","","","","8","R -3 :H","-R 3","148","","BWCu","","- C18 H48 B Cu3 K3 N24 O66 W12 -","- C18 H18 B Cu3 K3 N24 O66 W12 -","- C162 H162 B9 Cu27 K27 N216 O594 W108 -","9","0.5","","Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones","Green Chemistry","2021","23","21","8591","8603","10.1039/D1GC03061B","","","0.71073","MoKα","","0.0808","0.0775","","","0.1653","0.1667","","","","","","1.35","","","","has coordinates,has disorder","270462","2021-11-06","20:14:41",""
"7243871","16.9618","0.001","16.9618","0.001","28.201","0.003","90","","90","","120","","7026.5","0.9","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C70 H81 Mn6 N12 Na3 O47 -","- C69.9998 H69.0002 Mn6 N12 Na3 O47.0002 -","- C209.999 H207.001 Mn18 N36 Na9 O141.001 -","3","0.166667","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0355","0.0314","","","0.0834","0.0881","","","","","","1.057","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243903","16.0135","0.0006","16.0135","0.0006","26.0061","0.0014","90","","90","","120","","5775.4","0.4","297","","297","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H42 N14 Ni -","- C54 H42 N14 Ni -","- C162 H126 N42 Ni3 -","3","0.166667","","Li, Bei; Lei, Qingjuan; Qin, Tong; Zhang, Xiaoxian; Zhao, Dongsheng; Wang, Feng; Li, Wenqian; Zhang, Zhengguo; Fan, Liming","Anion exchange strategy to improve electrocatalytic hydrogen evolution performances in cationic metal–organic frameworks","CrystEngComm","2021","23","47","8260","8264","10.1039/D1CE01210J","","x-ray","1.54184","CuKα","","0.0624","0.0569","","","0.17","0.176","","","","","","1.144","","","","has coordinates","271835","2022-01-06","21:14:17",""
"7243919","32.7739","0.0005","32.7739","0.0005","73.5789","0.0011","90","","90","","120","","68444.8","1.8","130","2","130","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo132 N25.8 O628.56 Se30 -","- Mo132 N25.8 O628.56 Se30 -","- Mo396 N77.4 O1885.68 Se90 -","3","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","x-ray","0.71073","MoKα","","0.1164","0.0698","","","0.2187","0.2442","","","","","","1.149","","","","has coordinates","272623","2022-02-04","19:23:20",""
"7243968","28.642","0.0005","28.642","0.0005","24.4463","0.0009","90","","90","","120","","17368","0.8","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C37 H43 Cl2 N3 O3 Ru S -","- C37 H43 Cl2 N3 O3 Ru S -","- C666 H774 Cl36 N54 O54 Ru18 S18 -","18","1","","Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.","Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions","RSC Advances","2021","11","60","37866","37876","10.1039/D1RA07428H","","","1.54178","CuKα","","0.0681","0.0534","","","0.1367","0.1513","","","","","","1.035","","","","has coordinates","270872","2021-11-25","02:16:09",""
"7244027","10.8269","0.0005","10.8269","0.0005","32.0261","0.0019","90","","90","","120","","3251.2","0.3","149.7","0.5","149.7","0.5","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.66 N24 Ru0.34 -","- C24 H48 B2 F8 Fe0.659 N24 Ru0.341 -","- C72 H144 B6 F24 Fe1.977 N72 Ru1.023 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","0.71073","MoKα","","0.0604","0.0475","","","0.1129","0.1222","","","","","","1.054","","","","has coordinates,has disorder","272786","2022-02-04","20:04:21",""
"7244028","10.7344","0.0004","10.7344","0.0004","32.0067","0.0016","90","","90","","120","","3193.9","0.2","80","0.6","80","0.6","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.66 N24 Ru0.34 -","- C24 H48 B2 F8 Fe0.661 N24 Ru0.339 -","- C72 H144 B6 F24 Fe1.983 N72 Ru1.017 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","0.71073","MoKα","","0.0361","0.0301","","","0.0614","0.064","","","","","","1.121","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244029","10.79309","0.00013","10.79309","0.00013","32.1264","0.0004","90","","90","","120","","3241.04","0.07","149","2","149","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C72 H144 B6 F24 N72 Ru3 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.0305","0.0305","","","0.0814","0.0814","","","","","","1.059","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244030","10.77425","0.00013","10.77425","0.00013","31.8415","0.0005","90","","90","","120","","3201.09","0.07","81","2","81","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C72 H144 B6 F24 N72 Ru3 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.0244","0.0244","","","0.0589","0.0589","","","","","","1.084","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244454","32.9136","0.0015","32.9136","0.0015","9.2886","0.0005","90","","90","","120","","8714.3","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H30 N6 Zn -","- C44 H30 N6 Zn -","- C396 H270 N54 Zn9 -","9","0.5","","Kim, Hyun-Chul; Yoon, Jongho; Yoon, Sukbin; Kim, Youngmee; Lee, Suk Joong; Huh, Seong","N-doped porous carbons derived from Zn-porphyrin-MOF","RSC Advances","2022","12","10","5979","5989","10.1039/D2RA00327A","","","1.54178","CuKα","","0.0489","0.0343","","","0.0759","0.082","","","","","","1.039","","","","has coordinates","273040","2022-02-19","02:15:01",""
"7244603","18.7709","0.0002","18.7709","0.0002","26.6661","0.0003","90","","90","","120","","8136.93","0.15","100.1","0.3","100.1","0.3","","","","","","","","6","R -3 :H","-R 3","148","","","","- C57 H57 As2 N3 O8 S3 -","- C57 H57 As2 N3 O8 S3 -","- C342 H342 As12 N18 O48 S18 -","6","0.333333","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0593","0.0575","","","0.1591","0.1629","","","","","","1.083","","","","has coordinates","273714","2022-03-16","01:48:43",""
"7245174","14.5753","0.0007","14.5753","0.0007","20.6709","0.0019","90","","90","","120","","3803","0.4","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C144 H90 N18 O36 -","6","0.333333","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.088","0.0523","","","0.1831","0.209","","","","","","1.094","","","","has coordinates,has disorder","276818","2022-07-22","23:33:41",""
"7245285","20.26","0.003","20.26","0.003","10.904","0.002","90","","90","","120","","3876.1","1.1","293.1","","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 Co6 N24 O19 -","- C36 H24 Co6 N24 O19 -","- C108 H72 Co18 N72 O57 -","3","0.166667","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.0985","0.074","","","0.1484","0.1588","","","","","","1.227","","","","has coordinates","277176","2022-08-09","22:28:03",""
"7245421","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0592","0.0547","","","0.1546","0.1564","","","","","","1.054","","","","has coordinates","277605","2022-09-02","22:41:32",""
"7245422","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5 H6 N6 O0.33 -","- C5 H6 N6 O0.333167 -","- C90 H108 N108 O5.997 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0812","0.0754","","","0.2165","0.2189","","","","","","1.105","","","","has coordinates,has disorder","277605","2022-09-02","22:41:32",""
"7245482","18.885","0.012","18.885","0.012","28.24","0.02","90","","90","","120","","8722","10","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C63 H45 Er F18 O5.02 P2 -","- C63 H45 Er F18 O5.0233 P2 -","- C378 H270 Er6 F108 O30.1398 P12 -","6","0.333333","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.2037","0.108","","","0.2474","0.3017","","","","","","1.055","","","","has coordinates,has disorder","277848","2022-09-14","22:29:06",""
"7245737","22.8147","0.0012","22.8147","0.0012","10.5217","0.0007","90","","90","","120","","4742.9","0.5","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C198 H252 N18 O18 -","9","0.5","","Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng","Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water","RSC Advances","2022","12","47","30248","30252","10.1039/D2RA06097C","","","0.71073","MoKα","","0.1042","0.0565","","","0.1309","0.1559","","","","","","1.02","","","","has coordinates","278851","2022-10-28","01:24:57",""
"7245870","30.0732","0.001","30.0732","0.001","29.0267","0.0011","90","","90","","120","","22734.6","1.4","298","1","298","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H342 N18 O104 Ti30 -","- C216 H342 N18 O104 Ti30 -","- C648 H1026 N54 O312 Ti90 -","3","0.166667","","Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming","A close-packed Ti6 and Ti12 nanocluster superstructure","CrystEngComm","2023","25","1","53","57","10.1039/D2CE01198K","","x-ray","1.54184","CuKα","","0.1774","0.1178","","","0.3109","0.3636","","","","","","1.133","","","","has coordinates,has disorder","281406","2023-03-04","18:08:21",""
"7245947","19.52525","0.00015","19.52525","0.00015","28.034","0.0002","90","","90","","120","","9255.69","0.12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H12 Cl Co N5 O6 -","- C18 H12 Cl Co N5 O6 -","- C324 H216 Cl18 Co18 N90 O108 -","18","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.044","0.0427","","","0.1427","0.1447","","","","","","1.105","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7246005","40.3","0.006","40.3","0.006","5.176","0.001","90","","90","","120","","7280","2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H98 N12 O13 -","- C120 H98.0002 N12 O13 -","- C360 H294.001 N36 O39 -","3","0.166667","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.65","synchrotron","","0.071","0.0573","","","0.1746","0.1826","","","","","","1.144","","","","has coordinates,has disorder","281464","2023-03-04","18:22:51",""
"7246509","34.338","0.002","34.338","0.002","12.6009","0.0011","90","","90","","120","","12867.1","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H21.06 N4 Ni0.5 O3 -","- C26 H21 N4 Ni0.5 O3 -","- C468 H378 N72 Ni9 O54 -","18","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","1.54184","CuKα","","0.0945","0.067","","","0.1924","0.2197","","","","","","1.056","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246816","10.8178","0.0003","10.8178","0.0003","33.0213","0.0013","90","","90","","120","","3346.59","0.19","250","0.3","250","0.3","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0538","0.0484","","","0.1133","0.1166","","","","","","1.086","","","","has coordinates,has disorder","284916","2023-07-05","10:07:16",""
"7246817","10.7307","0.0002","10.7307","0.0002","31.9228","0.0009","90","","90","","120","","3183.37","0.12","80.4","0.12","80.4","0.12","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0333","0.0302","","","0.0594","0.0604","","","","","","1.135","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246839","25.7641","0.0004","25.7641","0.0004","31.6786","0.0006","90","","90","","120","","18210.7","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Dy2 N32 O63 -","- C36 H36 Dy2 N32 O62.9998 -","- C324 H324 Dy18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0331","0.0303","","","0.0874","0.0891","","","","","","1.068","","","","has coordinates,has disorder","284923","2023-07-05","10:12:01",""
"7246842","25.8081","0.0006","25.8081","0.0006","31.7446","0.0009","90","","90","","120","","18311","0.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Er2 N32 O63 -","- C36 H36 Er2 N32 O62.9998 -","- C324 H324 Er18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0266","0.0254","","","0.0695","0.0704","","","","","","1.062","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246843","25.8703","0.0006","25.8703","0.0006","31.8766","0.0008","90","","90","","120","","18475.9","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Ho2 N32 O63 -","- C36 H36 Ho2 N32 O62.9978 -","- C324 H324 Ho18 N288 O566.98 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0858","0.0882","","","","","","1.058","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246844","25.7946","0.0004","25.7946","0.0004","31.7638","0.0006","90","","90","","120","","18302.9","0.5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 N32 O63 Yb2 -","- C36 H36 N32 O63.0018 Yb2 -","- C324 H324 N288 O567.016 Yb18 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.71073","MoKα","","0.0455","0.0334","","","0.0923","0.0963","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7247158","36.1165","0.0004","36.1165","0.0004","45.7915","0.0005","90","","90","","120","","51728.1","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C1944 H3024 F36 N180 O72 -","36","2","","Zhang, Ying; Sun, Chi-Yu; Lin, Lin","Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery","RSC Advances","2023","13","34","23396","23401","10.1039/D3RA04150F","","","1.5418","CuKα","","0.1558","0.0971","","0.128","0.0863","0.0863","","","","","","1.148","","","","has coordinates,has disorder","285457","2023-08-05","01:11:36",""
"7247215","24.7312","0.0008","24.7312","0.0008","9.56","0.0003","90","","90","","120","","5063.8","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H14 Co0.5 N O3 -","- C9 H14 Co0.5 N O3 -","- C162 H252 Co9 N18 O54 -","18","1","","Tanwar, Deepika; Jain, Priya; Ahluwalia, Deepali; Sudheendranath, Athul; Thomas, Sajesh P.; Ingole, Pravin P.; Kumar, Umesh","A novel cobalt(ii) acetate complex bearing lutidine ligand: a promising electrocatalyst for oxygen evolution reaction","RSC Advances","2023","13","35","24450","24459","10.1039/D3RA04709A","","","0.71073","MoKα","","0.0438","0.0337","","","0.0825","0.0883","","","","","","1.058","","","","has coordinates","285782","2023-08-16","01:15:21",""
"7247522","19.102","0.0003","19.102","0.0003","90.1075","0.0013","90","","90","","120","","28474.1","0.8","100","0.1","100","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H96 Ag9 Br24 Cl3 P8 Pt -","- C144 H96 Ag9 Br24 Cl3 P8 Pt -","- C864 H576 Ag54 Br144 Cl18 P48 Pt6 -","6","0.333333","","Wang, Meng; Li, Simin; Tang, Xiongkai; Zuo, Dongjie; Jia, Yanyuan; Guo, Shuo; Guan, Zong-Jie; Shen, Hui","One-step preparation of Pt/Ag nanoclusters for CO<sub>2</sub> transformation.","Physical chemistry chemical physics : PCCP","2023","25","44","30373","30380","10.1039/d3cp02736h","","x-ray","1.54184","CuKα","","0.0596","0.0398","","","0.0945","0.1008","","","","","","1.076","","","","has coordinates","288903","2024-01-06","09:52:20",""
"7247679","8.716","0.0012","8.716","0.0012","10.946","0.002","90","","90","","120","","720.15","0.19","100.15","","100.15","","","","","","","","","4","R -3 :H","-R 3","148","","Pentachloronitrobenzene","","- C6 Cl5 N O2 -","- C6 Cl4.9998 N1.0002 O2.0004 -","- C18 Cl14.9994 N3.0006 O6.0012 -","3","0.166667","","Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos","Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.","Physical chemistry chemical physics : PCCP","2023","25","44","30553","30562","10.1039/d3cp02633g","","","0.72931","synchrotron","","0.0435","0.0429","","","0.1355","0.1371","","","","","","1.107","","","","has coordinates,has disorder","288902","2024-01-06","09:51:40",""
"7247680","8.744","0.0012","8.744","0.0012","11.068","0.002","90","","90","","120","","732.86","0.19","200.15","","200.15","","","","","","","","","4","R -3 :H","-R 3","148","","Pentachloronitrobenzene","","- C6 Cl5 N O2 -","- C6 Cl4.9998 N1.0002 O2.0004 -","- C18 Cl14.9994 N3.0006 O6.0012 -","3","0.166667","","Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos","Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.","Physical chemistry chemical physics : PCCP","2023","25","44","30553","30562","10.1039/d3cp02633g","","","0.72931","synchrotron","","0.058","0.0543","","","0.1341","0.1395","","","","","","0.882","","","","has coordinates,has disorder","288902","2024-01-06","09:51:50",""
"7247681","13.8174","0.0003","13.8174","0.0003","26.1691","0.0012","90","","90","","120","","4326.9","0.2","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H24 In N3 O9 -","- C33 H24 In N3 O9 -","- C198 H144 In6 N18 O54 -","6","0.333333","","Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng","Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex","CrystEngComm","2023","25","47","6627","6634","10.1039/D3CE00904A","","","0.71073","MoKα","","0.0369","0.0299","","","0.0598","0.0674","","","","","","1.124","","","","has coordinates","288792","2024-01-06","07:57:35",""
"7247705","30.238","0.006","30.238","0.006","15.131","0.005","90","","90","","120","","11981","5","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H72 Hf6 O32 -","- C120 H72 Hf6 O32 -","- C360 H216 Hf18 O96 -","3","0.166667","","Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi","A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation","CrystEngComm","2023","25","46","6489","6495","10.1039/D3CE01022H","","","0.71073","MoKα","","0.0765","0.0504","","","0.1386","0.1593","","","","","","0.974","","","","has coordinates","288782","2024-01-06","07:56:08",""
"7247732","26.789","0.003","26.789","0.003","25.456","0.003","90","","90","","120","","15821","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H23 N3 Ni O7 -","- C28 H23 N3 Ni O7 -","- C504 H414 N54 Ni18 O126 -","18","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1508","0.0821","","","0.2118","0.2476","","","","","","1.042","","","","has coordinates","288802","2024-01-06","08:02:52",""
"7247831","39.4459","0.0015","39.4459","0.0015","12.5093","0.0008","90","","90","","120","","16856.5","1.4","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H33 N3 O2 -","- C50 H33 N3 O2 -","- C900 H594 N54 O36 -","18","1","","Amiri, Kamran; Nayebzadeh, Behrouz; Kamangar, Mohammad; Babazadeh, Mohammad; Ariafard, Alireza; Shiri, Farshad; Rominger, Frank; Balalaie, Saeed","Synthesis of a fused N-bridged [3.3.1]nonadiquinoline multicyclic skeleton via a metal-free formal [4 + 2] cycloaddition/Mannich/dearomatization domino reaction","Green Chemistry","2023","25","22","9203","9208","10.1039/D3GC03026A","","","0.71073","MoKα","","0.1113","0.0526","","","0.1126","0.1369","","","","","","1.04","","","","has coordinates","288029","2023-12-05","04:10:14",""
"7248041","26.796","0.005","26.796","0.005","7.4941","0.0014","90","","90","","120","","4660","1.5","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Cu I N O3 -","- C9 H6 Cu I N O3 -","- C162 H108 Cu18 I18 N18 O54 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0386","0.0309","","","0.0783","0.0845","","","","","","1.045","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248042","26.8602","0.0006","26.8602","0.0006","7.2007","0.0005","90","","90","","120","","4499.1","0.3","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Br Cu N O3.056 -","- C9 H6 Br Cu N O3.05556 -","- C162 H108 Br18 Cu18 N18 O55.0001 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0446","0.0324","","","0.0857","0.0931","","","","","","1.0462","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248068","12.171","0.0013","12.171","0.0013","43.96","0.004","90","","90","","120","","5639.5","1","298","2","298.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H33 Cu3 N19 O4 -","- C27 H33 Cu3 N19 O4 -","- C162 H198 Cu18 N114 O24 -","6","0.333333","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0675","0.056","","","0.1606","0.1678","","","","","","1.117","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248281","20.9615","0.0011","20.9615","0.0011","7.8858","0.0005","90","","90","","120","","3000.7","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","ETHYL MALTOL","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0349","0.0328","","","0.0893","0.0911","","","","","","1.062","","","","has coordinates","290885","2024-04-04","23:06:40",""
"7248369","19.0319","0.0003","19.0319","0.0003","11.446","0.0005","90","","90","","120","","3590.45","0.18","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- H29.2 Mo12 Na5.8 O55.5 U -","- Mo12 Na5.8 O55.5 U -","- Mo36 Na17.4 O166.5 U3 -","3","0.166667","","Li, Ke; Liu, Yufeng; Yang, Guo-Ping; Zheng, Zhijian; Lin, Xiao-Ling; Zhang, Zhibin; Li, Shujun; Liu, Yunhai; Wei, Yongge","Highly-Stable Silverton-Type UIV-Containing Polyoxomolybdates Frameworks for the Heterogeneous Catalytic Synthesis of Quinazolinones","Green Chemistry","2024","","","","","10.1039/D4GC00877D","","","0.71073","MoKα","","0.0215","0.0201","","","0.0487","0.0494","","","","","","1.093","","","","has coordinates,has disorder","290742","2024-04-02","23:50:49",""
"7248383","23.8757","0.0006","23.8757","0.0006","17.6972","0.0005","90","","90","","120","","8736.7","0.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H15 N9 O3 -","- C33 H15 N9 O3 -","- C396 H180 N108 O36 -","12","0.666667","","Kumar, Krishan; Karmakar, Anirban; Thakur, Diksha; Sharma, Dipanshu; Chen, Feng-Rong; Verma, Varsha; Nagar, Mangey Ram; Jou, Jwo-Huei; Banik, Subrata; Ghosh, Subrata","Self-assembled molecular network with waterwheel-like architecture: experimental and theoretical evaluation toward electron transport capabilities for optoelectronic devices.","Physical chemistry chemical physics : PCCP","2024","26","15","11922","11932","10.1039/d4cp00390j","","","1.54184","CuKα","","0.083","0.0682","","","0.1993","0.2149","","","","","","0.984","","","","has coordinates","291700","2024-05-05","04:12:13",""
"7700002","35.8954","0.0011","35.8954","0.0011","17.7162","0.0005","90","","90","","120","","19768.7","1","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C252 H318 Mg6 N12 O54 P6 -","- C252 H318 Mg6 N12 O54 P6 -","- C756 H954 Mg18 N36 O162 P18 -","3","0.166667","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.0703","0.0478","","","0.1115","0.1197","","","","","","1.038","","","","has coordinates","215227","2020-10-21","18:00:00",""
"7700296","45.605","0.005","45.605","0.005","9.2968","0.0011","90","","90","","120","","16745","3","100","","100","","","","","","","","see text","5","R -3 :H","-R 3","148","","","","- C30 H57 Cl N6 Si2 -","- C30 H57 Cl N6 Si2 -","- C540 H1026 Cl18 N108 Si36 -","18","1","","Frisch, Philipp; Inoue, Shigeyoshi","NHC-stabilized silyl-substituted silyliumylidene ions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10403","10406","10.1039/c9dt02010a","","x-ray","0.71073","MoKα","","0.0512","0.0432","","","0.124","0.1296","","","","","","1.104","","","","has coordinates","223766","2020-10-21","18:00:00",""
"7700641","18.519","0.003","18.519","0.003","25.112","0.005","90","","90","","120","","7458","2","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H66 N6 Tb -","- C54 H66 N6 Tb -","- C324 H396 N36 Tb6 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0726","0.0435","","","0.0752","0.0838","","","","","","1.006","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700642","18.5889","0.0003","18.5889","0.0003","25.401","0.0007","90","","90","","120","","7601.3","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 Er N6 -","- C57.5007 H70.0008 Er N6 -","- C345.004 H420.005 Er6 N36 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0287","0.0217","","","0.0534","0.0576","","","","","","1.015","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700643","18.6899","0.0007","18.6899","0.0007","25.1795","0.001","90","","90","","120","","7617.1","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 N6 Y -","- C57.5007 H70.0008 N6 Y -","- C345.004 H420.005 N36 Y6 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.04","0.0383","","","0.1026","0.1037","","","","","","1.08","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700644","18.6116","0.0005","18.6116","0.0005","25.289","0.0007","90","","90","","120","","7586.3","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 Dy N6 -","- C57.5007 H70.0008 Dy N6 -","- C345.004 H420.005 Dy6 N36 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0352","0.0269","","","0.0602","0.0643","","","","","","1.051","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700645","18.6764","0.0014","18.6764","0.0014","25.337","0.002","90","","90","","120","","7653.7","1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C57.5 H70 Gd N6 -","- C57.5007 H70.0008 Gd N6 -","- C345.004 H420.005 Gd6 N36 -","6","0.333333","","Long, Jérôme; Skvortsov, Grigorii G.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Poddel'sky, Andrei I.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of a series of Ln(iii) complexes with radical-anionic iminopyridine ligands: effect of lanthanide ions on the slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12018","12022","10.1039/c9dt00738e","","","0.71073","MoKα","","0.0353","0.0275","","","0.064","0.0694","","","","","","1.008","","","","has coordinates,has disorder","223914","2020-10-21","18:00:00",""
"7700947","15.64","0.0009","15.64","0.0009","25.8676","0.0017","90","","90","","120","","5479.7","0.6","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H106 Dy6 N12 O44 -","- C42 H106 Dy6 N12 O43.9998 -","- C126 H317.999 Dy18 N36 O131.999 -","3","0.166667","","Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.","New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15657","15667","10.1039/c9dt02419k","","","0.71073","MoKα","","0.036","0.0262","","","0.0552","0.0587","","","","","","1.059","","","","has coordinates,has disorder","223905","2020-10-21","18:00:00",""
"7700996","39.691","0.011","39.691","0.011","14.511","0.004","90","","90","","120","","19798","9","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H61 Mo N5 O2 -","- C39 H61 Mo N5 O2 -","- C702 H1098 Mo18 N90 O36 -","18","1","","Baltrun, Marc; Watt, Fabian A.; Schoch, Roland; Wölper, Christoph; Neuba, Adam G.; Hohloch, Stephan","A new bis-phenolate mesoionic carbene ligand for early transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14611","14625","10.1039/c9dt03099a","","","0.71073","MoKα","","0.1167","0.0664","","","0.1547","0.1764","","","","","","1.017","","","","has coordinates","224045","2020-10-21","18:00:00",""
"7701250","35.013","0.002","35.013","0.002","14.6617","0.0007","90","","90","","120","","15565.9","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H17.45 Cd N6 O3.72 -","- C16 H17.448 Cd N6 O3.724 -","- C288 H314.064 Cd18 N108 O67.032 -","18","1","","Tom, Lincy; Kurup, M. R. Prathapachandra","Stimuli Responsive Multifunctional ZMOF based on an Unorthodox Polytopic ligand: Reversible Thermochromism and Anion Triggered Metallogelation","Dalton Transactions","2019","","","","","10.1039/C9DT02820J","","","0.71073","MoKα","","0.0803","0.0581","","","0.1682","0.1937","","","","","","0.611","","","","has coordinates,has disorder","218848","2020-10-21","18:00:00",""
"7701582","14.01884","0.00007","14.01884","0.00007","15.05418","0.00009","90","","90","","120","","2562.19","0.02","300","","300","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 Mo8 -","- Ga41 Mo8 -","- Ga123 Mo24 -","3","0.166667","","Verchenko, Valeriy Yu; Zubtsovskii, Alexander O.; Wei, Zheng; Tsirlin, Alexander A.; Dikarev, Evgeny V.; Shevelkov, Andrei V.","From endohedral cluster superconductors to approximant phases: synthesis, crystal and electronic structure, and physical properties of Mo<sub>8</sub>Ga<sub>41-x</sub>Zn<sub>x</sub> and Mo<sub>7</sub>Ga<sub>52-x</sub>Zn<sub>x</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7853","7861","10.1039/c8dt04982c","powder diffraction","x-ray","1.5406","CuKα1","","0.0267","0.0267","","0.0372","0.0372","","","","1.71","","","","","","","has coordinates","223307","2020-10-21","18:00:00",""
"7701624","15.0276","0.001","15.0276","0.001","13.1704","0.0008","90","","90","","120","","2575.8","0.3","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","Gallium(III) ethylxanthate","","- C9 H15 Ga O3 S6 -","- C9 H15 Ga O3 S6 -","- C54 H90 Ga6 O18 S36 -","6","0.333333","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","0.71073","MoKα","","0.0226","0.0209","","","0.051","0.0516","","","","","","1.05","","","","has coordinates","223322","2020-10-21","18:00:00",""
"7701697","26.177","0.003","26.177","0.003","24.576","0.004","90","","90","","120","","14584","3","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H35 Cl2 O6 P Ru -","- C31 H35 Cl2 O6 P Ru -","- C558 H630 Cl36 O108 P18 Ru18 -","18","1","","Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.","Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11326","11337","10.1039/c9dt01811e","","","0.71075","MoKα","","0.0527","0.0369","","","0.0881","0.1063","","","","","","1.058","","","","has coordinates","223340","2020-10-21","18:00:00",""
"7701718","20.6642","0.0008","20.6642","0.0008","35.2511","0.0015","90","","90","","120","","13035.9","0.9","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C127 H154 Cl8 Mn18 N6 O51 Sr -","- C127 H154.001 Cl8 Mn18 N6 O51 Sr -","- C381 H462.002 Cl24 Mn54 N18 O153 Sr3 -","3","0.166667","","Chevallot-Beroux, Elodie; Ako, Ayuk M.; Schmitt, Wolfgang; Twamley, Brendan; Moran, Joseph; Corinne, Boudon; Ruhlmann, Laurent; Mameri, Samir","Synthesis of new Mn<sub>19</sub> analogues and their structural, electrochemical and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4830","4836","10.1039/c8dt04807j","","x-ray","0.71073","MoKα","","0.0751","0.0535","","","0.1547","0.1736","","","","","","1.056","","","","has coordinates,has disorder","223343","2020-10-21","18:00:00",""
"7701782","12.4223","0.0006","12.4223","0.0006","19.7979","0.0011","90","","90","","120","","2645.8","0.2","110","","110","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H21 O P -","- C21 H21 O P -","- C126 H126 O6 P6 -","6","0.333333","","Arp, Fabian F.; Bhuvanesh, Nattamai; Blümel, Janet","Hydrogen peroxide adducts of triarylphosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14312","14325","10.1039/c9dt03070k","","","0.71073","MoKα","","0.0421","0.0368","","","0.0844","0.089","","","","","","1.085","","","","has coordinates","223358","2020-10-21","18:00:00",""
"7702054","14.618","0.0003","14.618","0.0003","45.0966","0.001","90","","90","","120","","8345.5","0.3","293","","293","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H54 Cd Cl2 N6 O10 Se3 -","- C45 H54 Cd Cl2 N6 O10 Se3 -","- C270 H324 Cd6 Cl12 N36 O60 Se18 -","6","0.333333","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.045","0.0417","","","0.1416","0.1482","","","","","","1.0384","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702236","14.7045","0.0006","14.7045","0.0006","38.106","0.005","90","","90","","120","","7135.5","1","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C82 H112 Cl4 Cr2 Mn5 N12 O38 -","- C72 H72 Cl4 Cr1.9998 Mn5.0002 N12 O28 -","- C216 H216 Cl12 Cr5.9994 Mn15.0006 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","1.54184","CuKα","","0.0797","0.0737","","","0.2045","0.211","","","","","","1.074","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702238","27.8468","0.0006","27.8468","0.0006","17.6945","0.0007","90","","90","","120","","11882.8","0.6","120.01","0.1","120.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C93 H168 Al6 Cl6 Cu7 N14 O75 -","- C72 H84 Al6 Cl6 Cu7 N13.9998 O53.9994 -","- C216 H252 Al18 Cl18 Cu21 N41.9994 O161.998 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","0.71073","MoKα","","0.0642","0.0561","","","0.1635","0.1697","","","","","","1.055","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702239","14.6087","0.0003","14.6087","0.0003","37.9381","0.0019","90","","90","","120","","7011.8","0.4","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H108 Cl4 Cr2 Fe5 N12 O37 -","- C72 H72 Cl4 Cr1.9998 Fe5.0002 N12 O28 -","- C216 H216 Cl12 Cr5.9994 Fe15.0006 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","1.54184","CuKα","","0.0822","0.0712","","","0.2052","0.2197","","","","","","1.052","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702240","14.6812","0.0005","14.6812","0.0005","38.0235","0.0014","90","","90","","120","","7097.5","0.4","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H108 Al2 Cl4 Co5 N12 O37 -","- C72 H72 Al1.9998 Cl4 Co5.0002 N12 O28 -","- C216 H216 Al5.9994 Cl12 Co15.0006 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","0.71073","MoKα","","0.0726","0.0623","","","0.1289","0.1339","","","","","","1.136","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702241","14.7268","0.0002","14.7268","0.0002","38.1319","0.0008","90","","90","","120","","7162","0.2","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H108 Cl4 Co5 Cr2 N12 O37 -","- C72 H72 Cl4 Co5.0002 Cr1.9998 N12 O28 -","- C216 H216 Cl12 Co15.0006 Cr5.9994 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","0.71073","MoKα","","0.0521","0.0425","","","0.0883","0.0914","","","","","","1.069","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702246","47.81","0.003","47.81","0.003","9.5696","0.0006","90","","90","","120","","18944","2","150","2","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H98 N6 Nd4 O28 -","- C66 H98 N6 Nd4 O28 -","- C594 H882 N54 Nd36 O252 -","9","0.5","","Wang, Wen-Min; He, Li-Yuan; Wang, Xin-Xin; Shi, Ying; Wu, Zhi-Lei; Cui, Jian-Zhong","Linear-shaped Ln and Ln clusters constructed by a polydentate Schiff base ligand and a β-diketone co-ligand: structures, fluorescence properties, magnetic refrigeration and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16744","16755","10.1039/c9dt03478a","","","0.71073","MoKα","","0.0582","0.0415","","","0.0988","0.1086","","","","","","1.068","","","","has coordinates","237901","2020-10-21","18:00:00",""
"7702263","21.477","0.0002","21.477","0.0002","45.3378","0.0005","90","","90","","120","","18110.8","0.3","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C276 H264 Mg6 N12 P6 -","- C276.012 H264 Mg6 N12 P6 -","- C828.036 H792 Mg18 N36 P18 -","3","0.166667","","Lawrence, Samuel R.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Mechanistic insights of anionic ligand exchange and fullerene reduction with magnesium(i) compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","45","16936","16942","10.1039/c9dt03976g","","","1.54184","CuKα","","0.0627","0.0544","","","0.1509","0.1582","","","","","","1.06","","","","has coordinates,has disorder","237906","2020-10-21","18:00:00",""
"7702740","14.46","0.004","14.46","0.004","18.165","0.005","90","","90","","120","","3289.3","1.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","hexaaquatris(2,5-dihyroxy-1,4-bezoquinonate)dilanthanum(III) octadecahydrate","","- C18 H54 La2 O36 -","- C18 H54 La2 O36 -","- C54 H162 La6 O108 -","3","0.166667","","Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard","Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals","Journal of the Chemical Society, Dalton Transactions","2002","","8","1586","","10.1039/b109296k","","","0.71069","MoKα","","0.1125","0.0623","","","0.1081","0.1261","","","","","","0.988","","","","has coordinates","243998","2020-10-21","18:00:00",""
"7702741","14.202","0.002","14.202","0.002","18.106","0.002","90","","90","","120","","3162.7","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","hexaaquatris(2,5-dihyroxy-1,4-bezoquinonate)digadolinium(III) octadecahydrate","","- C18 H54 Gd2 O36 -","- C18 H54 Gd2 O36 -","- C54 H162 Gd6 O108 -","3","0.166667","","Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard","Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals","Journal of the Chemical Society, Dalton Transactions","2002","","8","1586","","10.1039/b109296k","","","0.71069","MoKα","","0.0409","0.027","","","0.0559","0.0602","","","","","","1.081","","","","has coordinates","243998","2020-10-21","18:00:00",""
"7702742","14.062","0.001","14.062","0.001","18.027","0.001","90","","90","","120","","3087.1","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","hexaaquatris(2,5-dihyroxy-1,4-bezoquinonate)diytterbium(III) octadecahydrate","","- C18 H54 O36 Yb2 -","- C18 H54 O36 Yb2 -","- C54 H162 O108 Yb6 -","3","0.166667","","Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard","Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals","Journal of the Chemical Society, Dalton Transactions","2002","","8","1586","","10.1039/b109296k","","","1.5418","CuKα","","0.0419","0.033","","","0.0847","0.0888","","","","","","1.095","","","","has coordinates","243998","2020-10-21","18:00:00",""
"7702743","14.026","0.001","14.026","0.001","18.044","0.001","90","","90","","120","","3074.2","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","hexaaquatris(2,5-dihyroxy-1,4-bezoquinonate)dilutetium(III) octadecahydrate","","- C18 H54 Lu2 O36 -","- C18 H54 Lu2 O36 -","- C54 H162 Lu6 O108 -","3","0.166667","","Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard","Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals","Journal of the Chemical Society, Dalton Transactions","2002","","8","1586","","10.1039/b109296k","","","0.71069","MoKα","","0.0175","0.015","","","0.0353","0.0364","","","","","","1.113","","","","has coordinates","243998","2020-10-21","18:00:00",""
"7702744","14.113","0.003","14.113","0.003","18.091","0.004","90","","90","","120","","3120.6","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","hexaaquatris(2,5-dihyroxy-1,4-bezoquinonate)diyttrium(III) octadecahydrate","","- C18 H54 O36 Y2 -","- C18 H54 O36 Y2 -","- C54 H162 O108 Y6 -","3","0.166667","","Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard","Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals","Journal of the Chemical Society, Dalton Transactions","2002","","8","1586","","10.1039/b109296k","","","1.5418","CuKα","","0.1215","0.0623","","","0.0995","0.1185","","","","","","1.059","","","","has coordinates","243998","2020-10-21","18:00:00",""
"7703422","11.6649","0.0004","11.6649","0.0004","27.3173","0.001","90","","90","","120","","3219.1","0.2","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Co15 F2 O42 Te14 -","- Co15 F2 O42 Te14 -","- Co45 F6 O126 Te42 -","3","0.166667","","Lü, Minfeng; Jiang, Jianhua; Zhu, Bei; Zhao, Yuwei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Kabbour, Houria; Choi, Kwang-Yong; Harrison, William T. A.","Lone-pair self-containment in pyritohedron-shaped closed cavities: optimized hydrothermal synthesis, structure, magnetism and lattice thermal conductivity of Co<sub>15</sub>F<sub>2</sub>(TeO<sub>3</sub>)<sub>14</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2234","2243","10.1039/c9dt04176a","","","0.71073","MoKα","","0.0252","0.0223","","","0.0445","0.0453","","","","","","1.179","","","","has coordinates","248966","2020-10-21","18:00:00",""
"7703700","28.918","0.008","28.918","0.008","12.364","0.003","90","","90","","120","","8954","4","93","","93","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H21 Cl Ir K N2 O2 -","- C14 H21 Cl Ir K N2 O2 -","- C252 H378 Cl18 Ir18 K18 N36 O36 -","18","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.054","0.0434","","","0.092","0.0981","","","","","","1.017","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703719","43.568","0.006","43.568","0.006","25.538","0.004","90","","90","","120","","41981","10","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H84 B Dy N2 O6 -","- C64 H68 B Dy N2 O4 -","- C1152 H1224 B18 Dy18 N36 O72 -","18","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in luminescent carbazolyl Dy(iii) octahedral complexes with a quasi linear N<sup>-</sup>-Dy-N<sup>-</sup> angle.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4039","4043","10.1039/d0dt00072h","","","0.71073","MoKα","","0.1156","0.0495","","","0.0981","0.1155","","","","","","1.182","","","","has coordinates,has disorder","250294","2020-10-21","18:00:00",""
"7703721","19.424","0.0008","19.424","0.0008","28.5924","0.001","90","","90","","120","","9342.4","0.6","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C99 H110 Cl6 Mn6 N6 Na2 O27 Tb -","- C99 H93 Cl6 Mn6 N6 Na2 O26.9998 Tb -","- C297 H279 Cl18 Mn18 N18 Na6 O80.9994 Tb3 -","3","0.166667","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.0673","0.0465","","","0.1229","0.1269","","","","","","0.946","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703724","19.4486","0.0006","19.4486","0.0006","28.7046","0.0009","90","","90","","120","","9402.8","0.5","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C100.5 H110 Cl6 Gd Mn6 N6 Na2 O25.5 -","- C100.5 H108 Cl6 Gd Mn6 N6 Na2 O25.5 -","- C301.5 H324 Cl18 Gd3 Mn18 N18 Na6 O76.5 -","3","0.166667","","Mayans, Júlia; Font-Bardia, Mercè; Escuer, Albert","Na<sub>2</sub>MnLn<sup>III</sup> clusters with a non-equivalent core: chiral vs. meso isomerism.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4216","4219","10.1039/d0dt00540a","","","0.71073","MoKα","","0.1052","0.0692","","","0.2011","0.2255","","","","","","1.048","","","","has coordinates","251641","2020-10-21","18:00:00",""
"7703782","16.7035","0.0001","16.7035","0.0001","23.095","0.0002","90","","90","","120","","5580.38","0.07","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C76 H84 B6 N8 O12 -","- C76 H83.9994 B6 N8 O12 -","- C228 H251.998 B18 N24 O36 -","3","0.166667","","Manankandayalage, Chamila P.; Unruh, Daniel K.; Krempner, Clemens","Boronic, diboronic and boric acid esters of 1,8-naphthalenediol - synthesis, structure and formation of boronium salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4834","4842","10.1039/d0dt00745e","","x-ray","1.54178","CuKα","","0.0395","0.0384","","","0.1041","0.1051","","","","","","1.045","","","","has coordinates","251653","2020-10-21","18:00:00",""
"7703828","8.763","0.002","8.763","0.002","18.8","0.004","90","","90","","120","","1250.2","0.5","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H10 Co0.58 Fe0.42 K N10 -","- C12 H9.9996 Co0.5761 Fe0.4239 K N9.9996 -","- C36 H29.9988 Co1.7283 Fe1.2717 K3 N29.9988 -","3","0.166667","","Rok, Magdalena; Moskwa, Marcin; Pawlukojć, Andrzej; Janicki, Rafał; Zuba, Iga; Zieliński, Piotr; Sobieszczyk, Paweł; Bator, Grażyna","Phase transition tuning by Fe(iii)/Co(iii) substitution in switchable cyano-bridged perovskites: (C<sub>3</sub>H<sub>5</sub>N<sub>2</sub>)<sub>2</sub>[KFe<sub>x</sub>Co<sub>1-x</sub>(CN)<sub>6</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5503","5512","10.1039/d0dt00615g","","","0.71073","MoKα","","0.0523","0.0521","","","0.1353","0.1354","","","","","","1.312","","","","has coordinates,has disorder","252764","2020-10-21","18:00:00",""
"7703968","22.1474","0.0008","22.1474","0.0008","45.8653","0.0018","90","","90","","120","","19483.2","1.3","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C139 H115 Cl6 Dy3 N6 O19 -","- C136 H101 Dy3 N6 O15 -","- C816 H605.998 Dy18 N36 O90 -","6","0.333333","","Wu, Si-Guo; Zhan, Chang-Ye; Huang, Guo-Zhang; Ruan, Ze-Yu; Liu, Jun-Liang; Tong, Ming-Liang","Slow magnetic dynamics in centrosymmetric didysprosium and equilateral triangular tridysprosium molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4164","4171","10.1039/d0dt00481b","","","0.71073","MoKα","","0.0783","0.0526","","","0.1493","0.1645","","","","","","1.063","","","","has coordinates,has disorder","250136","2020-10-21","18:00:00",""
"7704318","18.0733","0.0008","18.0733","0.0008","18.3272","0.0013","90","","90","","120","","5184.4","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H10 N3 Ru0.33 -","- C14 H10 N3 Ru0.333333 -","- C252 H180 N54 Ru6 -","18","1","","Kang, Shi-Rui; Zhou, Zi-Qin; Xiong, Chang-Feng; Liu, Bin; McGrady, John E.; Obies, Mohammed; Liu, Chao; He, Piao; Yi, Xiao-Yi","Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru<sub>2</sub><sup>5+/6+</sup> complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7053","7059","10.1039/d0dt01325k","","x-ray","0.71073","MoKα","","0.0539","0.0394","","","0.1061","0.1141","","","","","","1.076","","","","has coordinates,has disorder","252828","2020-10-21","18:00:00",""
"7704395","24.9627","0.0011","24.9627","0.0011","20.5795","0.0011","90","","90","","120","","11105.8","0.9","293.15","","293.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C84 H60 Fe3 N6 -","- C84 H60 Fe3 N6 -","- C504 H360 Fe18 N36 -","6","0.333333","","Kasprzak, Artur; Guńka, Piotr A","A ferrocene-templated Pd-bearing molecular reactor.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6974","6979","10.1039/d0dt01366h","","x-ray","0.71073","MoKα","","0.0854","0.0467","","","0.0982","0.1154","","","","","","0.964","","","","has coordinates","252824","2020-10-21","18:00:00",""
"7704588","10.9589","0.0007","10.9589","0.0007","11.1331","0.001","90","","90","","120","","1157.93","0.15","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba3 I18 O54 Ti3 -","- Ba3 I18 O54 Ti3 -","- Ba3 I18 O54 Ti3 -","1","0.0555556","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","New polymorphism for BaTi(IO<sub>3</sub>)<sub>6</sub> with two polymorphs crystallizing in the same space group.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8443","8447","10.1039/d0dt00593b","","","0.71073","MoKα","","0.0261","0.0232","","","0.0751","0.0824","","","","","","0.712","","","","has coordinates","253902","2020-10-21","18:00:00",""
"7704589","11.4412","0.0017","11.4412","0.0017","11.1418","0.0017","90","","90","","120","","1263.1","0.3","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba I6 O18 Ti -","- Ba I6 O18 Ti -","- Ba3 I18 O54 Ti3 -","3","0.166667","","Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","New polymorphism for BaTi(IO<sub>3</sub>)<sub>6</sub> with two polymorphs crystallizing in the same space group.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8443","8447","10.1039/d0dt00593b","","","0.71073","MoKα","","0.0255","0.0226","","","0.056","0.0575","","","","","","1.134","","","","has coordinates","253902","2020-10-21","18:00:00",""
"7704758","18.1444","0.0011","18.1444","0.0011","26.8759","0.0016","90","","90","","120","","7662.6","0.8","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C41 H96 Fe4 P6 -","- C36 H84 Fe4 P6 -","- C216 H504 Fe24 P36 -","6","0.333333","","Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał","Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10091","10103","10.1039/d0dt01503b","","x-ray","0.71073","MoKα","","0.052","0.0355","","","0.0941","0.0998","","","","","","0.996","","","","has coordinates,has disorder","254955","2020-10-21","18:00:00",""
"7705065","24.5159","0.0007","24.5159","0.0007","11.1964","0.0006","90","","90","","120","","5827.8","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H78 Ag12 N18 O18 S6 -","- C48 H78 Ag12 N18 O18 S6 -","- C144 H234 Ag36 N54 O54 S18 -","3","0.166667","","Shen, Yang-Lin; Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","<i>tert</i>-Butyl thiol and pyridine ligand co-protected 50-nuclei clusters: the effect of pyridines on Ag-SR bonds.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12574","12580","10.1039/d0dt02003f","","","0.71073","MoKα","","0.0154","0.0144","","","0.0366","0.0369","","","","","","1.124","","","","has coordinates","257537","2020-10-21","18:00:00",""
"7705268","21.536","0.001","21.536","0.001","17.0203","0.0017","90","","90","","120","","6836.4","0.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","Co6Se8(Ph2PNHiPr)6","","- C90 H108 Co6 N6 P6 Se8 -","- C90 H108 Co6 N6 P6 Se8 -","- C270 H324 Co18 N18 P18 Se24 -","3","0.166667","","Kephart, Jonathan A.; Boggiano, Andrew C.; Kaminsky, Werner; Velian, Alexandra","Inorganic clusters as metalloligands: ligand effects on the synthesis and properties of ternary nanopropeller clusters.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16464","16473","10.1039/d0dt02416c","","x-ray","0.71073","MoKα","","0.0577","0.0294","","","0.0564","0.0675","","","","","","1.068","","","","has coordinates","260793","2021-01-07","06:33:03",""
"7705450","39.314","0.007","39.314","0.007","10.636","0.002","90","","90","","120","","14237","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60.33 H96.67 Ga4 N2 O4 -","- C58 H94 Ga4 N2 O4 -","- C522 H846 Ga36 N18 O36 -","9","0.5","","Ghosh, Swarup; Glöckler, Eduard; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan","Active Ga-catalysts for the ring opening homo- and copolymerization of cyclic esters, and copolymerization of epoxide and anhydrides.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13475","13486","10.1039/d0dt02831b","","","0.71073","MoKα","","0.0633","0.0429","","","0.0933","0.0997","","","","","","1.088","","","","has coordinates,has disorder","258873","2020-11-06","12:25:13",""
"7705754","32.883","0.003","32.883","0.003","10.4799","0.0011","90","","90","","120","","9813.7","1.6","100.01","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H33 N2 O Rh -","- C24 H33 N2 O Rh -","- C432 H594 N36 O18 Rh18 -","18","1","","Srivastava, Ravi; Jakoobi, Martin; Thieuleux, Chloé; Quadrelli, Elsje Alessandra; Camp, Clément","A family of rhodium(i) NHC chelates featuring O-containing tethers for catalytic tandem alkene isomerization-hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","869","879","10.1039/d0dt03698f","","x-ray","0.71073","MoKα","","0.091","0.0753","","0.215","0.1854","0.215","","","","","","0.9704","","","","has coordinates","261698","2021-02-04","23:20:21",""
"7705859","15.2371","0.0001","15.2371","0.0001","155.7837","0.0009","90","","90","","120","","31322.6","0.3","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0588","0.0502","","","0.1399","0.1471","","","","","","1.02","","","","has coordinates,has disorder","259689","2020-12-09","03:10:15",""
"7705860","15.1802","0.0002","15.1802","0.0002","155.6425","0.0013","90","","90","","120","","31060.9","0.6","123","","123","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0603","0.0578","","","0.1636","0.1665","","","","","","1.052","","","","has coordinates,has disorder","259689","2020-12-09","03:10:16",""
"7705861","15.2841","0.0001","15.2841","0.0001","155.7874","0.0009","90","","90","","120","","31516.8","0.3","223","","223","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C126 H147 N26 Ni9 S90 -","- C126 H147.666 N26 Ni9 S90 -","- C756 H885.995 N156 Ni54 S540 -","6","0.333333","","Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16772","16777","10.1039/d0dt03386c","","x-ray","1.54184","CuKα","","0.0464","0.042","","","0.1227","0.1273","","","","","","1.052","","","","has coordinates,has disorder","259689","2020-12-09","03:10:16",""
"7706076","10.6588","0.0007","10.6588","0.0007","34.838","0.003","90","","90","","120","","3427.7","0.4","200","2","200.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C22 H30 B2 F8 Fe N26 O12 -","- C22 H30 B2 F8 Fe N26 O12 -","- C66 H90 B6 F24 Fe3 N78 O36 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0387","0.0318","","","0.0804","0.0854","","","","","","1.068","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706077","10.4735","0.0005","10.4735","0.0005","34.48","0.002","90","","90","","120","","3275.5","0.3","100","2","100.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C22 H30 B2 F8 Fe N26 O12 -","- C22 H30 B2 F8 Fe N26 O12 -","- C66 H90 B6 F24 Fe3 N78 O36 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0304","0.0271","","","0.0673","0.0692","","","","","","1.072","","","","has coordinates","259985","2020-12-19","03:12:37",""
"7706080","10.747","0.003","10.747","0.003","34.689","0.009","90","","90","","120","","3469.7","1.6","200.15","","200.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H30 Cl2 Fe N26 O20 -","- C22 H30 Cl2 Fe N26 O20 -","- C66 H90 Cl6 Fe3 N78 O60 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0886","0.0569","","","0.1449","0.1631","","","","","","1.071","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706082","10.587","0.002","10.587","0.002","34.314","0.007","90","","90","","120","","3330.8","1.1","296.15","","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H30 Cl2 Fe N26 O20 -","- C22 H30 Cl2 Fe N26 O20 -","- C66 H90 Cl6 Fe3 N78 O60 -","3","0.166667","","Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter","Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17183","17193","10.1039/d0dt03315d","","","0.71073","MoKα","","0.0762","0.055","","","0.1329","0.1445","","","","","","1.115","","","","has coordinates","259985","2020-12-19","03:12:38",""
"7706485","32.738","0.002","32.738","0.002","7.492","0.0005","90","","90","","120","","6954","0.8","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H7 F5 N2 O2 -","- C17 H7 F5 N2 O2 -","- C306 H126 F90 N36 O36 -","18","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","x-ray","0.71073","MoKα","","0.0765","0.0458","","","0.0859","0.0963","","","","","","1.043","","","","has coordinates","262618","2021-03-05","01:58:20",""
"7706780","26.658","0.008","26.658","0.008","20.81","0.009","90","","90","","120","","12807","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H22 Co N5 O6.5 -","- C27 H16 Co N4 O6 -","- C486 H288 Co18 N72 O108 -","18","1","","Yang, Ming-Xing; Chen, Li-Juan; Ye, Yan-Zhu; Lin, Xing-Ye; Lin, Shen","Four 3D Co(ii) MOFs based on 2,4,6-tris(4-pyridyl)-1,3,5-triazine and polycarboxylic acid ligands and their derivatives as efficient electrocatalysts for oxygen reduction reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4904","4913","10.1039/d1dt00005e","","","0.71073","MoKα","","0.0443","0.0419","","","0.1134","0.1155","","","","","","1.024","","","","has coordinates","266070","2021-06-05","18:49:06",""
"7706835","42.5764","0.0012","42.5764","0.0012","13.1174","0.0005","90","","90","","120","","20592.8","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H85 Cu7 O12 P6 S12 -","- C36 H85 Cu7 O12 P6 S12 -","- C432 H1020 Cu84 O144 P72 S144 -","12","0.666667","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; McGlinchey, Michael J.; Saillard, Jean-Yves; Liu, C. W.","Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT study.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4727","4734","10.1039/d1dt00072a","","","0.71073","MoKα","","0.0474","0.0379","","","0.0905","0.0971","","","","","","1.022","","","","has coordinates,has disorder","266051","2021-06-05","18:44:01",""
"7707030","19.4667","0.0012","19.4667","0.0012","15.686","0.0012","90","","90","","120","","5147.9","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H36 Li N9 Pb -","- C36 H36 Li N9 Pb -","- C216 H216 Li6 N54 Pb6 -","6","0.333333","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0465","0.0352","","","0.0793","0.0841","","","","","","1.061","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707315","7.3068","0.0003","7.3068","0.0003","28.521","0.0012","90","","90","","120","","1318.71","0.09","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","Ba3PbTe6O16","","- Ba9 O48 Pb3 Te18 -","- Ba9 O48 Pb3 Te18 -","- Ba9 O48 Pb3 Te18 -","1","0.0555556","","Li, Han-Ying; Lii, Kwang-Hwa","Hydrothermal synthesis, crystal structures, and X-ray photoelectron spectroscopy of lead tellurium(IV) and tellurium(VI) oxycompounds: Ba<sub>3</sub>PbTe<sub>6</sub>O<sub>16</sub> and Na<sub>2</sub>Pb<sub>9</sub>(μ<sub>6</sub>-O)<sub>2</sub>(Te<sub>2</sub>O<sub>10</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8189","8195","10.1039/d1dt00566a","","","0.71073","MoKα","","0.0265","0.0229","","","0.0532","0.0546","","","","","","1.071","","","","has coordinates","267195","2021-07-05","17:44:23",""
"7707352","12.3952","0.0001","12.3952","0.0001","30.5277","0.0003","90","","90","","120","","4061.92","0.06","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H18 Br6 Fe3 N6 O -","- C12 H18 Br6 Fe3 N6 O -","- C72 H108 Br36 Fe18 N36 O6 -","6","0.333333","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","1.54184","CuKα","","0.0189","0.0188","","","0.0473","0.0474","","","","","","1.111","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707643","18.7016","0.0016","18.7016","0.0016","23.159","0.002","90","","90","","120","","7014.7","1","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","iMOF-4C","","- C66 H48 N12 Zn -","- C66 H48 N12 Zn -","- C198 H144 N36 Zn3 -","3","0.166667","","Dutta, Subhajit; Let, Sumanta; Shirolkar, Mandar M.; Desai, Aamod V.; Samanta, Partha; Fajal, Sahel; More, Yogeshwar D.; Ghosh, Sujit K.","A luminescent cationic MOF for bimodal recognition of chromium and arsenic based oxo-anions in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10133","10141","10.1039/d1dt01097b","","","0.71073","MoKα","","0.1162","0.0722","","","0.2106","0.2577","","","","","","1.016","","","","has coordinates","268703","2021-09-06","10:52:37",""
"7707786","39.454","0.0009","39.454","0.0009","14.127","0.0004","90","","90","","120","","19044.2","0.8","100","2","99.98","","","","","","","","","6","R -3 :H","-R 3","148","","[Fe(Br)(PhCH2NC)2(PNPH)](Br)","","- C32 H51 Br2 Fe N3 P2 -","- C32 H51 Br2 Fe N3 P2 -","- C576 H918 Br36 Fe18 N54 P36 -","18","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0639","0.0374","","","0.0802","0.0889","","","","","","1.025","","","","has coordinates","268699","2021-09-06","10:51:37",""
"7708068","26.0164","0.0006","26.0164","0.0006","23.1213","0.0004","90","","90","","120","","13553.1","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C35 H32 Cl Ir N2 O -","- C35 H32 Cl Ir N2 O -","- C630 H576 Cl18 Ir18 N36 O18 -","18","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Yoshida, Jun; Sato, Hisako","Five-Coordinate Iridium(III) Complex with ΔΛ Chirality","Dalton Transactions","2021","","","","","10.1039/D1DT01960K","","","0.71073","MoKα","","0.0642","0.0507","","","0.1022","0.1076","","","","","","1.074","","","","has coordinates,has disorder","268110","2021-08-17","23:03:41",""
"7708178","4.894","0.00014","4.894","0.00014","16.2663","0.0005","90","","90","","120","","337.402","0.017","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","Borate","","- B2 Eu0.98 O6 Sc1.02 -","- B2 Eu0.978 O6 Sc1.022 -","- B6 Eu2.934 O18 Sc3.066 -","3","0.166667","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Kaneva, Еkaterina V.; Svetlichnyi, Valery; Kononova, Nadezhda; Shevchenko, Vyacheslav; Rashchenko, Sergey V.; Kokh, Alexander E.","Study of EuBO3 - ScBO3 system and EuSc3(BO3)4, EuSc(BO3)2 orthoborates","Dalton Transactions","2021","","","","","10.1039/D1DT02477A","","","0.71073","MoKα","","0.0193","0.0179","","","0.0481","0.0492","","","","","","1.31","","","","has coordinates,has disorder","268378","2021-09-02","23:08:22",""
"7708383","16.6981","0.0005","16.6981","0.0005","22.3503","0.0008","90","","90","","120","","5396.9","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C66 H48 Au3 Cl Fe2 N18 O11 -","- C66 H48 Au3 Cl1.0002 Fe2 N18 O10.9998 -","- C198 H144 Au9 Cl3.0006 Fe6 N54 O32.9994 -","3","0.166667","","Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio","On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization","Dalton Transactions","2021","","","","","10.1039/D1DT02632A","","","0.71073","MoKα","","0.1089","0.0586","","","0.1133","0.134","","","","","","1.013","","","","has coordinates","269231","2021-09-21","22:56:13",""
"7708384","16.6621","0.0011","16.6621","0.0011","22.4615","0.001","90","","90","","120","","5400.4","0.6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C66 H48 Au3 Cl Co2 N18 O11 -","- C66 H48 Au3 Cl1.0002 Co2 N18 O10.9998 -","- C198 H144 Au9 Cl3.0006 Co6 N54 O32.9994 -","3","0.166667","","Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio","On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization","Dalton Transactions","2021","","","","","10.1039/D1DT02632A","","","0.71073","MoKα","","0.068","0.0368","","","0.0728","0.0846","","","","","","1.026","","","","has coordinates","269231","2021-09-21","22:56:14",""
"7708385","16.4529","0.0006","16.4529","0.0006","22.4374","0.0014","90","","90","","120","","5260","0.4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H73 Au3 N18 Ni2 O13 -","- C66 H73.0008 Au3 N18 Ni2 O13 -","- C198 H219.002 Au9 N54 Ni6 O39 -","3","0.166667","","Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio","On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization","Dalton Transactions","2021","","","","","10.1039/D1DT02632A","","","0.71073","MoKα","","0.0739","0.041","","","0.0942","0.1093","","","","","","1.099","","","","has coordinates","269231","2021-09-21","22:56:14",""
"7708795","24.5266","0.0005","24.5266","0.0005","22.6333","0.0006","90","","90","","120","","11791.1","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H20 Cl4 N4 O3 Zn -","- C24 H16 Cl3.99997 N4 O Zn -","- C432 H288 Cl71.9994 N72 O18 Zn18 -","18","1","","Xu, Fei; Li, Gang-Mei; Wang, Ani; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Modulating the structure and photochromic performance of hybrid metal chloride with nonphotochromic 1,10-phenanthroline and its derivative","Dalton Transactions","2021","","","","","10.1039/D1DT02899E","","","0.71073","MoKα","","0.1057","0.0936","","","0.265","0.2749","","","","","","1.043","","","","has coordinates,has disorder","270608","2021-11-12","00:02:38",""
"7709026","19.5718","0.0003","19.5718","0.0003","28.7483","0.0007","90","","90","","120","","9536.8","0.3","300","1","300","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0638","0.049","","","0.1211","0.1308","","","","","","1.042","","","","has coordinates,has disorder","271146","2021-12-07","00:02:03",""
"7709028","19.3002","0.0004","19.3002","0.0004","28.2386","0.0009","90","","90","","120","","9109.6","0.4","14","1","14","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0505","0.0486","","","0.1267","0.1289","","","","","","1.055","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709032","18.9537","0.0003","18.9537","0.0003","28.4241","0.0006","90","","90","","120","","8843.1","0.3","14","1","14","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0428","0.0414","","","0.1078","0.1093","","","","","","1.043","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709033","19.0003","0.0002","19.0003","0.0002","28.6098","0.0005","90","","90","","120","","8944.7","0.2","100","1","100","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0242","0.0231","","","0.0552","0.0557","","","","","","1.047","","","","has coordinates,has disorder","271146","2021-12-07","00:02:05",""
"7709063","37.9184","0.0011","37.9184","0.0011","16.6172","0.0009","90","","90","","120","","20691.3","1.4","98","2","98","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C226.14 H158.58 Br24 Cl18.52 N24 Zn12 -","- C226.14 H158.58 Br24 Cl18.522 N24 Zn12 -","- C678.42 H475.74 Br72 Cl55.566 N72 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Sacchetti, Alessandro; Castiglione, Franca","Mechanochemical synthesis of mechanical bonds in M12L8 poly-[<i>n</i>]-catenanes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","53","58","10.1039/d1dt03158a","","","1.54178","CuKα","","0.0902","0.0744","","","0.2165","0.2266","","","","","","1.065","","","","has coordinates,has disorder","272645","2022-02-04","19:30:17",""
"7709364","27.392","0.004","27.392","0.004","11.302","0.003","90","","90","","120","","7344","2","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H96 Ag12 F18 N6 O12 S6 -","- C72 H96 Ag12 F18 N6 O12 S6 -","- C216 H288 Ag36 F54 N18 O36 S18 -","3","0.166667","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0377","0.0286","","","0.0676","0.0725","","","","","","1.047","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709365","21.113","0.01","21.113","0.01","18.108","0.009","90","","90","","120","","6990","6","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C66 H84 Ag12 F18 N6 O12 S6 -","- C66 H84 Ag12 F18 N6 O12 S6 -","- C198 H252 Ag36 F54 N18 O36 S18 -","3","0.166667","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0676","0.0394","","","0.0995","0.1121","","","","","","1.082","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709369","20.625","0.005","20.625","0.005","40.283","0.009","90","","90","","120","","14840","6","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C70 H92 Ag12 F18 N6 O13 S6 -","- C66 H84 Ag12 F18 N6 O12 S6 -","- C396 H504 Ag72 F108 N36 O72 S36 -","6","0.333333","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0524","0.0316","","","0.0738","0.0838","","","","","","1.033","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709648","35.6799","0.0002","35.6799","0.0002","21.4215","0.0001","90","","90","","120","","23617.2","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C156 H144 Cl12 Dy4 O12 P12 -","- C156 H144 Cl12 Dy4 O12 P12 -","- C936 H864 Cl72 Dy24 O72 P72 -","6","0.333333","","Lin, Wei-Quan; Wang, Dan-Ru; Long, Wei-Jian; Lin, Li-Shan; Tao, Ze-Xian; Liu, Jun-Liang; Liu, Zhao-Qing; Leng, Ji-Dong","Stereoisomeric coordination polymers based on facial and meridional six-coordinate dysprosium(III)","Dalton Transactions","2022","","","","","10.1039/D2DT00334A","","x-ray","1.54184","CuKα","","0.051","0.0495","","","0.1191","0.12","","","","","","1.051","","","","has coordinates","273444","2022-03-04","23:50:57",""
"7709860","46.0372","0.0003","46.0372","0.0003","11.6515","0.00007","90","","90","","120","","21386","0.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C43 H44 Cu N7 O4 P2 S4 -","- C43 H44 Cu N7 O4 P2 S4 -","- C774 H792 Cu18 N126 O72 P36 S72 -","18","1","","You, Xin; Hong, Zhao-Guo; Shi, Sheng-Mei; Bian, He-Dong; Zhang, Yun-Liang; Zhang, Liang-Liang; Huang, Fu-Ping; Zhao, Shu-Lin; Liang, Hong","Rational construction of a triphenylphosphine-modified tetra-nuclear Cu(i) coordinated cluster for enhanced chemodynamic therapy","Dalton Transactions","2022","","","","","10.1039/D2DT00063F","","x-ray","1.54184","CuKα","","0.0408","0.0391","","","0.105","0.1062","","","","","","1.036","","","","has coordinates","274143","2022-03-30","23:08:17",""
"7709901","31.8125","0.0004","31.8125","0.0004","17.7813","0.0003","90","","90","","120","","15584.4","0.4","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","BM176","","- C31.5 H60 Cl2 N2 Pt S -","- C29 H54 Cl2 N2 Pt S -","- C522 H972 Cl36 N36 Pt18 S18 -","18","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0533","0.0467","","","0.0932","0.0964","","","","","","1.055","","","","has coordinates","274183","2022-03-31","22:57:55",""
"7710090","16.3228","0.0003","16.3228","0.0003","32.3748","0.0009","90","","90","","120","","7470.1","0.3","160","1","160","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H112 Fe N18 O8 Ru2 -","- C102 H112 Fe N18 O8 Ru2 -","- C306 H335.999 Fe3 N54 O24 Ru6 -","3","0.166667","","Mosallaei, Hamta; Hadadzadeh, Hassan; Foelske, Annette; Sauer, Markus; Amiri Rudbari, Hadi; Blacque, Olivier","[Ru(tmphen)<sub>3</sub>]<sub>2</sub>[Fe(CN)<sub>6</sub>] and [Ru(phen)<sub>3</sub>][Fe(CN)<sub>5</sub>(NO)] complexes and formation of a heterostructured RuO<sub>2</sub>-Fe<sub>2</sub>O<sub>3</sub> nanocomposite as an efficient alkaline HER and OER electrocatalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","16","6314","6331","10.1039/d2dt00398h","","x-ray","1.54184","CuKα","","0.0591","0.0555","","","0.1629","0.1663","","","","","","1.099","","","","has coordinates,has disorder","274611","2022-04-20","22:58:22",""
"7710103","31.3566","0.0003","31.3566","0.0003","38.3643","0.0005","90","","90","","120","","32667.5","0.6","240","0.1","240","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H12 N4 Ni4 O21.33 -","- C32 H12 N4 Ni4 O21.3333 -","- C576 H216 N72 Ni72 O384 -","18","1","","Chen, Liuyong; Yang, Jun; Yang, Wenqian; Xian, Jiahui; Li, Guangqin","Nickel Metal-Organic Frameworks for Visible-Light CO2 Reduction under Mild Reaction Conditions","Dalton Transactions","2022","","","","","10.1039/D2DT01022D","","x-ray","1.54184","CuKα","","0.074","0.0679","","","0.2007","0.2068","","","","","","1.031","","","","has coordinates","274631","2022-04-21","22:56:06",""
"7710200","19.7747","0.0006","19.7747","0.0006","48.334","0.002","90","","90","","120","","16368.3","1","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C94.3 H63 Cl3 N42 Ni3 O10.6 -","- C94.302 H63 Cl3 N42 Ni3 O10.596 -","- C565.812 H378 Cl18 N252 Ni18 O63.576 -","6","0.333333","","Wang, Te; Yao, Binling; Guo, Zhilin; Chang, Xiaoyong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Self-assembly of Ni(ii) metallacycles (a square and a triangle) supported by tetrazine radical bridges","Dalton Transactions","2022","","","","","10.1039/D2DT00221C","","","1.54178","CuKα","","0.0946","0.0789","","","0.2375","0.2548","","","","","","1.081","","","","has coordinates,has disorder","275085","2022-05-05","22:50:30",""
"7710343","40.8409","0.0018","40.8409","0.0018","51.871","0.004","90","","90","","120","","74928","7","150.15","","150.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C241 H250 Ce24 N26 O124 S30 -","- C170 H110 Ce24 N4 O96 S30 -","- C1530 H990 Ce216 N36 O864 S270 -","9","0.5","","Lv, Xinjie; Zhao, Xiao-li; Zhao, Qixin; Zheng, Qi; Xuan, Weimin","Cerium-Oxo clusters for photocatalytic aerobic oxygenation of sulfides to sulfoxides","Dalton Transactions","2022","","","","","10.1039/D2DT00856D","","","0.67011","synchrotron","","0.1099","0.092","","","0.2542","0.2705","","","","","","1.037","","","","has coordinates,has disorder","275648","2022-05-25","22:56:49",""
"7710367","39.2728","0.0012","39.2728","0.0012","10.8904","0.0004","90","","90","","120","","14546.5","0.8","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26.25 H26.5 Cl1.5 F3 N3 O8 Ru2 -","- C26.25 H24.5 Cl1.5 F3 N3 O8 Ru2 -","- C472.5 H441 Cl27 F54 N54 O144 Ru36 -","18","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.0601","0.0386","","","0.1157","0.1282","","","","","","1.048","","","","has coordinates,has disorder","275681","2022-05-28","22:46:55",""
"7710647","18.0697","0.0007","18.0697","0.0007","45.2783","0.0018","90","","90","","120","","12803.3","0.9","100","2","100","2","","","","","","","synthetical product","7","R -3 :H","-R 3","148","tris[bis(mu2-sulfido)-bis(2,3-diaminopropionato-N,N',O)-dioxo-di-tungsten(V)]-tetrakis[potassium tetrasulfido-tungsten(VI)]-tetradecaaqua adduct","tris[bis(mu2-sulfido)-bis(2,3-diaminopropionato-N,N',O)-dioxo-di-tungsten(V)]-tetrakis[potassium tetrasulfido-tungsten(VI)]-tetradecaaqua adduct","","- C18 H70 K8 N12 O32 S22 W10 -","- C18 H70.002 K8.0001 N12 O32.001 S22 W10 -","- C108 H420.012 K48.0006 N72 O192.006 S132 W60 -","6","0.333333","","Varbanov, Hristo Plamenov; Glasnov, Toma N.; Belaj, Ferdinand; Herbert, Simon; Brumby, Thomas; Moesch-Zanetti, Nadia Carmen","New strategies towards advanced CT contrast agents. Development of neutral and monoanionic sulfur-bridged W(V) dimeric complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01470J","","","0.71073","MoKα","","0.0292","0.0246","","","0.0556","0.057","","","","","","1.037","","","","has coordinates,has disorder","276460","2022-06-30","22:54:39",""
"7710909","30.4077","0.0005","30.4077","0.0005","23.409","0.0004","90","","90","","120","","18744.8","0.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C91 H121 I N2 O4 P4 Re -","- C64 H58 N2 O4 P4 Re -","- C576 H522 N18 O36 P36 Re9 -","9","0.5","","Cooper, Saul M.; Siakalli, Christina; White, Andrew J. P.; Frei, Angelo; Miller, Philip W.; Long, Nicholas J.","Synthesis and anti-microbial activity of a new series of bis(diphosphine) rhenium(v) dioxo complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02157A","","","0.71073","MoKα","","0.0451","0.0288","","","0.073","0.0803","","","","","","1.028","","","","has coordinates,has disorder","277060","2022-08-03","22:52:53",""
"7710910","29.5291","0.0007","29.5291","0.0007","24.5448","0.0005","90","","90","","120","","18534.9","0.7","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C69.75 H65.5 Cl3.5 I N2 O6 P4 Re -","- C68 H62 I0.999933 N2 O6 P4 Re -","- C612 H558 I8.9994 N18 O54 P36 Re9 -","9","0.5","","Cooper, Saul M.; Siakalli, Christina; White, Andrew J. P.; Frei, Angelo; Miller, Philip W.; Long, Nicholas J.","Synthesis and anti-microbial activity of a new series of bis(diphosphine) rhenium(v) dioxo complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02157A","","","0.71073","MoKα","","0.0597","0.0463","","","0.1396","0.151","","","","","","1.035","","","","has coordinates,has disorder","277060","2022-08-03","22:52:53",""
"7710946","17.3963","0.0015","17.3963","0.0015","22.9","0.0019","90","","90","","120","","6001.8","0.9","293","2","293.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag2 Bi I12.29 N12 Zn2 -","- C60 H48 Ag1.9998 Bi I12.306 N12 Zn2 -","- C180 H144 Ag5.9994 Bi3 I36.918 N36 Zn6 -","3","0.166667","","Zhang, Bo; Li, Jun; Yang, Yan; Wang, Wen-Hao; Shen, Hong-Yao; Shao, Ya-Nan","A new metal complex-templated silver iodobismuthate exhibiting photocurrent response and photocatalytic property","Dalton Transactions","2022","","","","","10.1039/D2DT01682F","","","0.71073","MoKα","","0.0611","0.0336","","","0.0661","0.0764","","","","","","1.049","","","","has coordinates,has disorder","277199","2022-08-10","22:56:48",""
"7710992","13.9005","0.0007","13.9005","0.0007","37.791","0.002","90","","90","","120","","6323.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H36 Co N3 O3 S6 -","- C42 H36 Co N3 O3 S6 -","- C252 H216 Co6 N18 O18 S36 -","6","0.333333","","Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme","Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2","Dalton Transactions","2022","","","","","10.1039/D2DT01767A","","x-ray","0.71075","MoKα","K-L~3~","0.1003","0.0596","","","0.1474","0.1671","","","","","","1.048","","","","has coordinates,has disorder","277266","2022-08-16","22:50:38",""
"7711044","33.594","0.003","33.594","0.003","3.9159","0.0005","90","","90","","120","","3827.2","0.7","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19.33 H14.67 B2 Br2 O2.33 -","- C18 H12 B2 Br2 O2 -","- C162 H108 B18 Br18 O18 -","9","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Çevik, Enes Görkem; Bolte, Michael; Stöger, Berthold; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Late-stage derivatization of a (B,O)2-doped perylene","Dalton Transactions","2022","","","","","10.1039/D2DT02364D","","","0.71073","MoKα","","0.0634","0.0446","","","0.0916","0.0978","","","","","","1.033","","","","has coordinates","277349","2022-08-22","22:52:13",""
"7711161","34.2817","0.0003","34.2817","0.0003","13.16739","0.00012","90","","90","","120","","13401.5","0.2","94","2","94","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H54 N4 P2 Ru2 S4 -","- C64 H54 N4 P2 Ru2 S4 -","- C576 H486 N36 P18 Ru18 S36 -","9","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","1.54184","CuKα","","0.0519","0.0475","","","0.1275","0.1336","","","","","","1.046","","","","has coordinates,has disorder","277638","2022-09-05","22:54:29",""
"7711172","34.2817","0.0003","34.2817","0.0003","13.16739","0.00012","90","","90","","120","","13401.5","0.2","94","2","94","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H54 N4 P2 Ru2 S4 -","- C64 H54 N4 P2 Ru2 S4 -","- C576 H486 N36 P18 Ru18 S36 -","9","0.5","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","1.54184","CuKα","","0.0519","0.0475","","","0.1275","0.1336","","","","","","1.046","","","","has coordinates,has disorder","277695","2022-09-06","22:49:40",""
"7711211","17.097","0.0004","17.097","0.0004","19.4378","0.0008","90","","90","","120","","4920.6","0.3","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H90 Cr6 P6 S8 -","- C36 H90 Cr6 P6 S8 -","- C108 H270 Cr18 P18 S24 -","3","0.166667","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","x-ray","0.71073","MoKα","","0.0317","0.0266","","","0.0714","0.0733","","","","","","1.075","","","","has coordinates","277739","2022-09-08","22:48:46",""
"7711212","17.289","0.002","17.289","0.002","19.544","0.004","90","","90","","120","","5059.2","1.3","180","","180","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H90 Cr6 P6 Se8 -","- C36 H90 Cr6 P6 Se8 -","- C108 H270 Cr18 P18 Se24 -","3","0.166667","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","x-ray","0.71073","MoKα","","0.0264","0.0236","","","0.0648","0.0657","","","","","","1.038","","","","has coordinates","277739","2022-09-08","22:48:47",""
"7711683","17.1262","0.0002","17.1262","0.0002","23.1047","0.0005","90","","90","","120","","5868.85","0.16","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Co2 I12 N12 -","- C60 H48 Ag6 Co2 I12 N12 -","- C180 H144 Ag18 Co6 I36 N36 -","3","0.166667","","Tang, Chunying; Sun, Yawei; Liu, Jianbiao; Xu, Qinfeng; Zhang, Chun-Yang","[Co(2,2’-bipy)3]Ag3I6 with hole structure facilitates dye adsorption and photocatalytic reduction","Dalton Transactions","2022","","","","","10.1039/D2DT03128K","","","0.71073","MoKα","","0.0345","0.0294","","","0.0717","0.0741","","","","","","1.077","","","","has coordinates","278918","2022-11-02","23:51:24",""
"7711684","41.7037","0.0007","41.7037","0.0007","9.8644","0.0002","90","","90","","120","","14857.7","0.5","99.99","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H30 Co N5 O8.5 -","- C22 H27 Co N5 O7.5 -","- C396 H486 Co18 N90 O135 -","18","1","","Wang, Ting; Jiang, Zhi-Jie; Wang, Ying; Wei, Rong-Jia; Zeng, Heng; Lu, Weigang; Li, Dan","An ato-Topology Metal-Organic Framework with Large C2H2 Adsorption and C2H2/CO2 Separation Capacity","Dalton Transactions","2022","","","","","10.1039/D2DT02968E","","","1.54184","CuKα","","0.0847","0.0718","","","0.1962","0.2053","","","","","","1.049","","","","has coordinates","278919","2022-11-02","23:52:12",""
"7711685","41.862","0.003","41.862","0.003","9.5888","0.0005","90","","90","","120","","14552.4","1.7","100","0.11","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H15.4 Co N4.2 O4.8 -","- C16 H10 Co N4 O4 -","- C288 H180 Co18 N72 O72 -","18","1","","Wang, Ting; Jiang, Zhi-Jie; Wang, Ying; Wei, Rong-Jia; Zeng, Heng; Lu, Weigang; Li, Dan","An ato-Topology Metal-Organic Framework with Large C2H2 Adsorption and C2H2/CO2 Separation Capacity","Dalton Transactions","2022","","","","","10.1039/D2DT02968E","","","1.54184","CuKα","","0.0924","0.0597","","","0.152","0.1682","","","","","","0.903","","","","has coordinates","278919","2022-11-02","23:52:12",""
"7711759","47.2641","0.0003","47.2641","0.0003","14.0081","0.0001","90","","90","","120","","27100.2","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H78 Cl4 Mo N4 -","- C60 H78 Cl4 Mo N4 -","- C1080 H1404 Cl72 Mo18 N72 -","18","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0418","0.039","","","0.1043","0.1062","","","","","","1.044","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711767","47.1426","0.0004","47.1426","0.0004","13.966","0.0001","90","","90","","120","","26880","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H78 Cl4 N4 W -","- C60 H78 Cl4 N4 W -","- C1080 H1404 Cl72 N72 W18 -","18","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","0.71073","MoKα","","0.024","0.0215","","","0.0553","0.0561","","","","","","1.03","","","","has coordinates","279275","2022-11-15","00:11:04",""
"7712441","16.2307","0.0019","16.2307","0.0019","36.437","0.005","90","","90","","120","","8312.8","1.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C73 H78 N5 Ni23.3 O47 Pt14.7 -","- C73 H77.9994 N5 Ni23.304 O47 Pt14.696 -","- C219 H233.998 N15 Ni69.912 O141 Pt44.088 -","3","0.166667","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0814","0.0446","","","0.1151","0.1287","","","","","","1.05","","","","has coordinates,has disorder","283328","2023-05-05","02:31:10",""
"7713031","21.6423","0.0009","21.6423","0.0009","25.7873","0.0017","90","","90","","120","","10460.3","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C69 H69 B3 N21 O6 Tb -","- C69 H69 B3 N21 O6 Tb -","- C414 H414 B18 N126 O36 Tb6 -","6","0.333333","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.043","0.0355","","","0.0669","0.0689","","","","","","1.118","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713038","21.6878","0.0004","21.6878","0.0004","25.7723","0.0008","90","","90","","120","","10498.2","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C69 H69 B3 N21 O6 Sm -","- C69 H69 B3 N21 O6 Sm -","- C414 H414 B18 N126 O36 Sm6 -","6","0.333333","","Hossack, Christopher; Abdul, Folasade; Cahill, Christopher; Besson, Claire","Tuning the optical and magnetic properties of lanthanide single-ion magnets using nitro-functionalized trispyrazolylborate ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01018j","","","0.71073","MoKα","","0.0184","0.0175","","","0.0422","0.0426","","","","","","1.071","","","","has coordinates","283794","2023-05-15","23:02:28",""
"7713246","12.6758","0.0003","12.6758","0.0003","19.8058","0.0004","90","","90","","120","","2755.97","0.11","101.1","0.6","101.1","0.6","","","","","","","","3","R -3 :H","-R 3","148","","","","- C21 H21 Sb -","- C21 H21 Sb -","- C126 H126 Sb6 -","6","0.333333","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0216","0.0211","","","0.0541","0.0543","","","","","","1.098","","","","has coordinates","284608","2023-06-29","10:45:01",""
"7713284","35.6823","0.0003","35.6823","0.0003","13.3003","0.0002","90","","90","","120","","14665.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","1","","- C21 H25 Br Cl3 N2 O V -","- C21 H25 Br Cl3 N2 O V -","- C378 H450 Br18 Cl54 N36 O18 V18 -","18","1","","Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi","Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8636","8644","10.1039/d3dt01065a","","x-ray","1.54184","CuKα","","0.0427","0.0379","","","0.0972","0.0996","","","","","","1.063","","","","has coordinates,has disorder","284620","2023-06-29","10:59:11",""
"7713294","15.5559","0.0007","15.5559","0.0007","36.209","0.003","90","","90","","120","","7588.2","0.8","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","tris-carborane_triphenylphosphine_triethylsilane","","- C30 H64 B31 P Si -","- C30 H64 B31 P Si -","- C180 H384 B186 P6 Si6 -","6","0.333333","","Vashisth, Kanika; Dutta, Sanjay; Akram, Manjur O.; Martin, Caleb D.","Examining the reactivity of tris(<i>ortho</i>-carboranyl)borane with Lewis bases and application in frustrated Lewis pair Si-H bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01557b","","","0.71073","MoKα","","0.0815","0.0677","","","0.1691","0.1802","","","","","","1.116","","","","has coordinates,has disorder","284624","2023-06-29","11:03:54",""
"7713387","18.2867","0.001","18.2867","0.001","32.7273","0.0019","90","","90","","120","","9477.9","0.9","295","","295","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H102 Cl18 N24 Ni6 S12 -","- C81 H102 Cl18 N24 Ni6 S12 -","- C243 H306 Cl54 N72 Ni18 S36 -","3","0.166667","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.077","0.0594","","0.1357","0.1308","0.1308","","","","","","0.9998","","","","has coordinates,has disorder","284793","2023-07-04","23:06:58",""
"7713723","41.9814","0.0005","41.9814","0.0008","53.6321","0.001","90","","90","","120","0.0013","81860","3","103","2","103.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C186 H154 Ce Cl6 N8 O8 -","- C186 H154 Ce Cl6 N8 O8 -","- C3348 H2772 Ce18 Cl108 N144 O144 -","18","1","","Nishino, Toshio; Fukumura, Masafumi; Katao, Shohei; Yasuhara, Kazuma; Rapenne, Gwenael","Multiply Engaged Molecular Gear composed of Cerium (IV) Double-Decker of a triptycene-functionalized Porphyrin","Dalton Transactions","2023","","","","","10.1039/D3DT02443A","","x-ray","0.71075","MoKα","","0.1018","0.086","","","0.2678","0.2866","","","","","","1.17","","","","has coordinates,has disorder","285609","2023-08-09","22:59:46",""
"7713771","39.015","0.004","39.015","0.004","13.9911","0.0013","90","","90","","120","","18444","3","149.8","0.4","149.8","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C85.08 H101.63 Mo6 N13.36 O34.36 -","- C84.6 H99.12 Mo6 N13.2 O34.2 -","- C507.6 H594.72 Mo36 N79.2 O205.2 -","6","0.333333","","Delaporte , Solène; Abánades Lázaro, Isabel; Lopez-Cabrelles, Javier; Mazarakioti, Eleni C.; Chebourou, Sarah; Vitórica-Yrezábal, Iñigo J.; Giménez-Marqués, Mónica; Minguez Espallargas, Guillermo","Imparting structural robustness of Metal-Organic Cages based on oxo-dimolybdenum clusters","Dalton Transactions","2023","","","","","10.1039/D3DT02482B","","x-ray","1.54184","CuKα","","0.1744","0.1145","","","0.2869","0.3268","","","","","","1.035","","","","has coordinates,has disorder","285841","2023-08-22","23:00:51",""
"7714259","13.3506","0.0007","13.3506","0.0007","21.3882","0.0014","90","","90","","120","","3301.5","0.3","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H9 B Cl6 O3 -","- C18 H9 B Cl6 O3 -","- C108 H54 B6 Cl36 O18 -","6","0.333333","","Sokolnicki, Tomasz; Alharbi, Mashael; van Ingen, Yara; Rahim, Shahnaz; Pramanik, Milan; Roldan, Alberto; Walkowiak, Jedrzej; Melen, Rebecca","Reactivity of a series of triaryl borates, B(OArx)3, in hydroboration catalysis","Dalton Transactions","2023","","","","","10.1039/D3DT03333C","","","0.71073","MoKα","","0.0805","0.0644","","","0.1801","0.198","","","","","","1.037","","","","has coordinates","287064","2023-10-20","23:03:13",""
"7714447","21.333","0.003","21.333","0.003","41.366","0.006","90","","90","","120","","16303","4","193","2","193","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C87 H99 B3 F3 Ir3 N18 O3 -","- C87 H99 B3 F3 Ir3 N18 O3 -","- C522 H594 B18 F18 Ir18 N108 O18 -","6","0.333333","","Ortiz-Hernández, Mariana; Salazar, Verónica; Mendoza-Espinosa, Daniel; Gomez-Bonilla, Manuel Alejandro; Cristobal, Crispin; Ortega-Alfaro, M. Carmen; Suárez, Andrés; Sandoval-Chavez, Cesar","CH Bond-activation in aromatic ketones mediated by Iridium-Tris(pyrazolyl) borate complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02849F","","","0.71073","MoKα","","0.0708","0.0537","","","0.1497","0.1622","","","","","","0.978","","","","has coordinates","287529","2023-11-11","00:15:03",""
"7714509","38.1705","0.0019","38.1705","0.0019","22.8167","0.001","90","","90","","120","","28790","2","181","2","181","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C68 H66 N6 Ni2 O7 -","- C68 H66 N6 Ni2 O7 -","- C1224 H1188 N108 Ni36 O126 -","18","1","","Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan","Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2023","53","1","299","314","10.1039/d3dt03084a","","","0.71073","MoKα","","0.1003","0.0609","","","0.1631","0.1981","","","","","","1.079","","","","has coordinates,has disorder","289463","2024-02-04","11:44:46",""
"7714668","7.2144","0.0004","7.2144","","20.4704","0.0009","90","","90","","120","","922.69","0.07","300","","300","","","","100","","","","","2","R -3 :H","-R 3","148","","indium triiodide","","- I3 In -","- I In0.333333 -","- I18 In6 -","18","1","","Ni, Danrui; Wang, Haozhe; Xu, Xianghan; Xie, Weiwei; Cava, Robert J.","The pressure-stabilized polymorph of indium triiodide.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","434","438","10.1039/d3dt03771a","powder diffraction","x-ray","1.54051","CuKα","","","","","","0.12291","","0.12487","","2.479","","","","","","","has coordinates","289524","2024-02-04","12:01:53",""
"7715010","25.8671","0.0007","25.8671","0.0007","15.5089","0.0004","90","","90","","120","","8986.8","0.4","172.99","","172.99","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H66 N12 O55 Pb2 Ti12 -","- C84 H66 N12 O55 Pb2 Ti12 -","- C252 H198 N36 O165 Pb6 Ti36 -","3","0.166667","","Said, Amir; Chen, Guanjie; Zhang, Guanyun; Wang, Dexin; Liu, Yanshu; Gao, Fangfang; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Enhancing the photocatalytic performance of a rutile unit featuring a titanium-oxide cluster by Pb<sup>2+</sup> doping.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3666","3674","10.1039/d3dt03865c","","","1.54184","","","0.0398","0.0367","","","0.0951","0.0971","","","","","","1.0254","","","","has coordinates","290161","2024-03-04","20:12:32",""
"7715014","35.2928","0.0004","35.2928","0.0004","22.6516","0.0007","90","","90","","120","","24434.4","0.9","260","","260","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H104.5 Cu4.5 N15 O112.75 P2 W24 -","- C81 H48 Cu4.5 N15 O112.75 P2 W24 -","- C486 H288 Cu27 N90 O676.5 P12 W144 -","6","0.333333","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.1511","0.0891","","","0.2216","0.2724","","","","","","1.034","","","","has coordinates","290159","2024-03-04","20:12:11",""
"7715164","14.4552","0.0007","14.4552","0.0007","14.8584","0.0009","90","","90","","120","","2688.8","0.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H6 Co0.56 Mn0.44 O6 -","- C4 H6 Co0.56 Mn0.44 O6 -","- C72 H108 Co10.08 Mn7.92 O108 -","18","1","","Li, Ya; Wang, Chong-Chen; Wang, Fu-Xue; Liu, Xing-Yuan; Wang, Peng; Wang, Fei; Sun, Mingyi; Yu, Baoyi","Efficient pollutant degradation by peroxymonosulfate activated by a Co/Mn metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5266","5273","10.1039/d4dt00161c","","x-ray","0.71073","MoKα","","0.038","0.0302","","","0.08","0.0831","","","","","","1.077","","","","has coordinates,has disorder","290958","2024-04-04","23:30:22",""
"7715180","17.9542","0.0004","17.9542","0.0004","27.4233","0.0008","90","","90","","120","","7655.7","0.3","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C78 H60 N6 O64 W12 Zn4 -","- C78 H60 N6 O64 W12 Zn4 -","- C234 H180 N18 O192 W36 Zn12 -","3","0.166667","","Huang, Li; Li, Xiao-Nan; Shen, Yuan; Song, Run-Hong; Cui, Wen-Bo; Zhang, Hong","Zinc tungstate encapsulated into a scarce Zn(II)-viologen framework with photochromic, electrochromic and chemochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5192","5201","10.1039/d3dt03647b","","x-ray","0.71073","MoKα","","0.0806","0.0598","","","0.1678","0.1822","","","","","","1.028","","","","has coordinates","290967","2024-04-04","23:32:03",""
"7715181","18.0082","0.0003","18.0082","0.0003","27.5563","0.0005","90","","90","","120","","7739.1","0.2","293.16","","293.16","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C78 H60 N6 O64 W12 Zn4 -","- C78 H60 N6 O64 W12 Zn4 -","- C234 H180 N18 O192 W36 Zn12 -","3","0.166667","","Huang, Li; Li, Xiao-Nan; Shen, Yuan; Song, Run-Hong; Cui, Wen-Bo; Zhang, Hong","Zinc tungstate encapsulated into a scarce Zn(II)-viologen framework with photochromic, electrochromic and chemochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5192","5201","10.1039/d3dt03647b","","x-ray","1.54184","CuKα","","0.0697","0.0651","","","0.187","0.1934","","","","","","1.05","","","","has coordinates,has disorder","290967","2024-04-04","23:32:04",""
"7715319","16.808","0.002","16.808","0.002","81.648","0.014","90","","90","","120","","19976","5","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50.5 H87 B F12 P4 Si6 -","- C48 H81 B F12 P4 Si6 -","- C576 H972 B12 F144 P48 Si72 -","12","0.666667","","Thomson, Jordan; Michailovich, Sofia; Miao, Linkun; Farrell, Jeffrey M.; Murray, Jillian A.; Lough, Alan; Stephan, Douglas W.","Triple <i>para</i>-substitution reactions of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> and [(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>PF]<sup>+</sup> with P(SiMe<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5775","5778","10.1039/d4dt00251b","","","0.71073","MoKα","","0.0326","0.0308","","","0.0801","0.0812","","","","","","1.042","","","","has coordinates","290931","2024-04-04","23:24:46",""
"7715409","17.2887","0.0003","17.2887","0.0003","35.2684","0.0005","90","","90","","120","","9129.4","0.3","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H10 Er F45 O4 Si -","- C60 H9.9999 Er F45 O3.9999 Si -","- C360 H59.9994 Er6 F270 O23.9994 Si6 -","6","0.333333","","Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Luminescent Er<sup>3+</sup> based single molecule magnets with fluorinated alkoxide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6352","6366","10.1039/d3dt04375d","","","0.71073","MoKα","","0.0363","0.0324","","","0.0899","0.0935","","","","","","1.08","","","","has coordinates,has disorder","290947","2024-04-04","23:28:24",""
"7715524","17.3178","0.0003","17.3178","0.0003","21.865","0.0007","90","","90","","120","","5678.9","0.2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H96 F18 Mn3 N6 O36 P6 -","- C30 H96 F18 Mn3 N6 O36 P6 -","- C90 H288 F54 Mn9 N18 O108 P18 -","3","0.166667","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr","Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging","Dalton Transactions","2024","","","","","10.1039/D4DT00507D","","","0.71073","MoKα","","0.0358","0.034","","","0.097","0.11","","","","","","1.097","","","","has coordinates","290659","2024-03-27","00:10:00",""
"7715531","17.588","0.0004","17.588","0.0004","18.4148","0.0006","90","","90","","120","","4933.2","0.2","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H84 F18 Mg N6 Ni2 O30 P6 -","- C30 H84 F18 Mg N6 Ni2 O30 P6 -","- C90 H252 F54 Mg3 N18 Ni6 O90 P18 -","3","0.166667","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr","Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging","Dalton Transactions","2024","","","","","10.1039/D4DT00507D","","","0.71073","MoKα","","0.02","0.0197","","","0.0498","0.05","","","","","","1.088","","","","has coordinates","290659","2024-03-27","00:10:03",""
"7715535","34.3841","0.0008","34.3841","0.0008","40.961","0.0015","90","","90","","120","","41939","2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.75 H91.5 Co3 F18 N6 O33 P6 -","- C30.75 H91.5 Co3 F18 N6 O33 P6 -","- C738 H2196 Co72 F432 N144 O792 P144 -","24","1.33333","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr","Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging","Dalton Transactions","2024","","","","","10.1039/D4DT00507D","","","0.71073","MoKα","","0.0601","0.0362","","","0.0877","0.1024","","","","","","1.023","","","","has coordinates,has disorder","290659","2024-03-27","00:10:04",""
"7715683","23.5867","0.0004","23.5867","0.0004","13.2999","0.0002","90","","90","","120","","6407.87","0.18","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H123 O30 P6 Y -","- C72 H123 O30 P6 Y -","- C216 H369 O90 P18 Y3 -","3","0.166667","","Borah, Aditya; Dey, Sourav; Siddiqui, Kehkasha; Gupta, Sandeep K.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Magnetic anisotropy in octahedral Dy(III) and Yb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7263","7267","10.1039/d3dt04352e","","x-ray","0.71073","MoKα","","0.0313","0.0302","","","0.0782","0.0791","","","","","","1.05","","","","has coordinates","291610","2024-05-05","02:39:37",""
"7715684","23.764","0.004","23.764","0.004","13.421","0.004","90","","90","","120","","6564","3","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","Dy","","- C72 H123 Dy O30 P6 -","- C72 H123 Dy O30 P6 -","- C216 H369 Dy3 O90 P18 -","3","0.166667","","Borah, Aditya; Dey, Sourav; Siddiqui, Kehkasha; Gupta, Sandeep K.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Magnetic anisotropy in octahedral Dy(III) and Yb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7263","7267","10.1039/d3dt04352e","","","0.71073","MoKα","","0.0186","0.0186","","","0.0495","0.0496","","","","","","1.056","","","","has coordinates","291610","2024-05-05","02:39:41",""
"7715685","23.5532","0.0003","23.5532","0.0003","13.4632","0.0002","90","","90","","120","","6468.13","0.15","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","2","","- C72 H123 O30 P6 Yb -","- C72 H123 O30 P6 Yb -","- C216 H369 O90 P18 Yb3 -","3","0.166667","","Borah, Aditya; Dey, Sourav; Siddiqui, Kehkasha; Gupta, Sandeep K.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Magnetic anisotropy in octahedral Dy(III) and Yb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7263","7267","10.1039/d3dt04352e","","","0.71073","MoKα","","0.0312","0.0306","","","0.068","0.0686","","","","","","1.08","","","","has coordinates","291610","2024-05-05","02:39:49",""
"7715702","30.2788","0.0004","30.2788","0.0004","9.8954","0.0001","90","","90","","120","","7856.72","0.17","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H12 N4 O2 Pt -","- C18 H12 N4 O2 Pt -","- C324 H216 N72 O36 Pt18 -","18","1","","Mochizuki, Takanari; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Controlled crystallisation of porous crystals of luminescent platinum(II) complexes by electronic tuning of ancillary ligands","Dalton Transactions","2024","","","","","10.1039/D4DT00713A","","x-ray","1.54184","CuKα","","0.023","0.0217","","","0.0591","0.0596","","","","","","1.124","","","","has coordinates","291150","2024-04-09","22:54:07",""
"7715704","30.5683","0.001","30.5683","0.001","9.9905","0.0004","90","","90","","120","","8084.6","0.5","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C19 H12 F N3 O2 Pt -","- C19 H12 F N3 O2 Pt -","- C342 H216 F18 N54 O36 Pt18 -","18","1","","Mochizuki, Takanari; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Controlled crystallisation of porous crystals of luminescent platinum(II) complexes by electronic tuning of ancillary ligands","Dalton Transactions","2024","","","","","10.1039/D4DT00713A","","x-ray","0.71073","MoKα","","0.0466","0.0344","","","0.0723","0.0748","","","","","","1.067","","","","has coordinates","291150","2024-04-09","22:54:08",""
"7715722","17.208","0.008","17.208","0.008","40.485","0.015","90","","90","","120","","10382","8","293","2","293.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H132.01 Co12 N12 O51 P6 -","- C114 H132 Co12 N12 O51 P6 -","- C342 H396.001 Co36 N36 O153 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT00590B","","","0.71073","MoKα","","0.0575","0.0463","","","0.1286","0.1327","","","","","","1.027","","","","has coordinates,has disorder","291210","2024-04-15","23:12:48",""
"7715723","17.07","0.005","17.07","0.005","39.806","0.011","90","","90","","120","","10045","5","296.15","","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H76 Co12 O60 P6 -","- C84 H76.0004 Co12 O60 P6 -","- C252 H228.001 Co36 O180 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT00590B","","","0.71073","MoKα","","0.1889","0.1053","","","0.2877","0.346","","","","","","1.161","","","","has coordinates,has disorder","291210","2024-04-15","23:12:48",""
"7715724","17.417","0.003","17.417","0.003","37.879","0.006","90","","90","","120","","9951","3","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H47 Co12 O44.5 P6 -","- C84 H47.0004 Co12 O44.5 P6 -","- C252 H141.001 Co36 O133.5 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT00590B","","","0.71073","MoKα","","0.0868","0.0566","","","0.1729","0.1952","","","","","","1.143","","","","has coordinates,has disorder","291210","2024-04-15","23:12:49",""
"7715726","17.364","0.006","17.364","0.006","41.589","0.012","90","","90","","120","","10859","6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H130 Mn12 N12 O50 P6 -","- C114 H130 Mn12 N12 O50 P6 -","- C342 H389.999 Mn36 N36 O150 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT00590B","","","0.71073","MoKα","","0.1493","0.0774","","","0.1974","0.2312","","","","","","1.03","","","","has coordinates,has disorder","291210","2024-04-15","23:12:49",""
"7715738","17.545","0.002","17.545","0.002","23.684","0.004","90","","90","","120","","6313.8","1.5","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H48 Co4 N24 O44 P2 W12 -","- C42 Co4 N24 O44.0002 P2 W12 -","- C126 Co12 N72 O132.001 P6 W36 -","3","0.166667","","Zhu, Yinhua; Yan, Pinfang; Xu, Lingtong; Du, Zeyu; Mei, Hua; Xu, Yan","A reduced polyoxometalate-encapsulated organo cobalt modified phosphate framework for improving photocatalytic reduction of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7257","7262","10.1039/d4dt00812j","","","0.71073","MoKα","","0.0708","0.052","","","0.153","0.1692","","","","","","1.069","","","","has coordinates,has disorder","291601","2024-05-05","02:31:45",""
"7715784","8.0483","0.0002","8.0483","0.0002","23.8037","0.0005","90","","90","","120","","1335.31","0.05","299.98","0.1","299.98","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H12 Cl N O7 -","- C4 H11.9997 Cl N O7 -","- C24 H71.9982 Cl6 N6 O42 -","6","0.333333","","Zhou, Feng; Weng, Yan-Ran; Shi, Yu; Yu, Yun-Hui; lu, dan; yu, yong; she, jiazi; Ai, Yong","Plastic Phase Transitions in Tris(hydroxymethyl)aminomethane Perchlorate","Dalton Transactions","2024","","","","","10.1039/D4DT00791C","","x-ray","1.54184","CuKα","","0.0548","0.0547","","","0.1439","0.1439","","","","","","1.065","","","","has coordinates,has disorder","291278","2024-04-18","23:05:33",""
"7715909","30.9968","0.0007","30.9968","0.0007","12.8371","0.0004","90","","90","","120","","10681.5","0.5","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26.2 H36.8 Cl Fe P Pd -","- C25 H34 Cl Fe P Pd -","- C450 H612 Cl18 Fe18 P18 Pd18 -","18","1","","Skoch, Karel; Antala, Jakub; Cisarova, Ivana; Štěpnička, Petr","Synthesis and catalytic properties of palladium(II) complexes with P,π-chelating ferrocene phosphinoallyl ligands and their non tethered analogues","Dalton Transactions","2024","","","","","10.1039/D4DT00961D","","","0.71073","MoKα","","0.0212","0.0197","","","0.0468","0.0476","","","","","","1.079","","","","has coordinates,has disorder","291445","2024-05-01","22:54:06",""
"8000045","24.463","0.006","24.463","0.006","10.063","0.004","90","","90","","120","","5215","2","90","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H12 Cu N4 O6 -","- C5 H8 Cu N4 O8 -","- C90 H144 Cu18 N72 O144 -","18","1","","Keita Osanai; Takayuki Ishida; Takashi Nogami","Structure and Magnetic Properties of a Honeycomb-like Copper(II) Complex Containing 4-Aminopyrimidine and Methoxide Bridges","Chemistry Letters","2005","34","4","620","","10.1246/cl.2005.620","","","0.7107","MoKα","","","0.046","","","","0.085","","","","","","1.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8000488","31.8745","0.0012","31.8745","0.0012","10.1687","0.0005","90","","90","","120","","8947.1","0.6","290","2","290","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C450 H288 N36 -","18","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.082","0.0477","","","0.1132","0.128","","","","","","0.979","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8100092","10.3783","0.0015","10.3783","0.0015","26.54","0.005","90","","90","","120","","2475.6","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H Nb4 O22.5 S4 -","- Nb4 O22.5 S4 -","- Nb24 O135 S24 -","6","0.333333","","Ewald, Bastian; Prots, Yurii; Boström, Magnus","Refinement of the crystal structure of diniobium trisoxydisulfate hydrate, Nb~2~O~3~(SO~4~)~2~ ̇0.25H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","89","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"8100582","10.81871","0.00001","10.81871","0.00001","19.9564","0.0003","90","","90","","120","","2022.85","0.07","","","295","","","","","","","","","3","R -3 :H","-R 3","148","Lead yttrium fluoride","","","- F34 Pb8 Y6 -","- F34.0002 Pb8 Y6 -","- F102.001 Pb24 Y18 -","3","0.166667","","Köhler, Jorgen; Tyagi, A. K.; Achary, S. N.","Crystal structure of lead yttrium fluoride, Pb~8~Y~6~F~34~, a new fluorite-related anion-rich fluoride","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","23","23","","powder diffraction","","","","","","","","","","","","0.0777","","","","","","","","has coordinates","191974","2020-10-21","18:00:00",""
"8100986","9.471","0.001","9.471","0.001","26.236","0.001","90","","90","","120","","2038.1","0.3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cl18 Cs2 Nb6 Pb -","- Cl18 Cs2 Nb6 Pb -","- Cl54 Cs6 Nb18 Pb3 -","3","0.166667","","Gulo, Fakhili; Cordier, S.; Perrin, C.","Crystal structure of dicesium lead hexaniobium octadecachloride, Cs~2~PbNb~6~Cl~18~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","187","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101458","14.475","0.002","14.475","0.002","9.894","0.001","90","","90","","120","","1795.3","0.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Er6 F30 O Sr7 -","- Er6 F31 Sr7 -","- Er18 F93 Sr21 -","3","0.166667","","Koehler, Juergen; Tyagi, A.K.","Crystal structure of heptastrontium hexaerbium triacontafluoride oxide, Sr~7~Er~6~F~30~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","27","28","","","","","","","","0.0362","","","0.0671","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101713","23.241","0.003","23.241","0.003","17.08","0.003","90","","90","","120","","7990","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","N,O-(1-methyl-3-oxobutyliden)-N',N""-(1-methyl-2-isonitroso- 3-oxo-3-phenyl-propyliden)ethylenediaminenickel(II)","","- C17 H19 N3 Ni O3 -","- C51 H57 N9 Ni3 O9 -","- C306 H342 N54 Ni18 O54 -","6","0.333333","","Y.-L. Feng; G.-J. Zhang","Crystal structure of N,O-(1-methyl-3-oxobutyliden)-N',N""-(1-methyl- 2-isonitroso-3-oxo-3-phenyl-propyliden)ethylenediaminenickel(II), Ni(C~17~H~19~N~3~O~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","97","98","","","","0.71073","MoKα","","0.1644","0.0883","","","0.205","0.243","","","","","","1.022","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101810","18.496","0.003","18.496","0.003","9.939","0.002","90","","90","","120","","2944.6","0.9","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","hexakis(N,N-dimethylformamide-O)silicon(IV) tris(tri-bromide) chloride","","- C18 H42 Br9 Cl N6 O6 Si -","- C18 H42 Br9 Cl N6 O6 Si -","- C54 H126 Br27 Cl3 N18 O18 Si3 -","3","0.166667","","A. Bekaert; P. Lemoine; J. D. Brion; B. Viossat","Crystal structure of hexakis(N,N-dimethylformamide-O)silicon(IV) tris (tribromide) chloride, [Si{(CH~3~)~2~NCHO}~6~][Br~3~]~3~Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","425","426","","","","0.71073","MoKα","","0.0606","0.056","","","0.1695","0.1764","","","","","","1.451","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101876","19.1711","0.0001","19.1711","0.0001","29.6004","0.0001","90","","90","","120","","9421.55","0.08","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","Ph3Te-F-SiF6-BF4","","","- C57 H48 B Cl9 F8 Si0.5 Te3 -","- C57 H48 B Cl9 F8 Si0.5 Te3 -","- C342 H288 B6 Cl54 F48 Si3 Te18 -","6","0.333333","","Klapötke, T. M.; Krumm, B.; Schwab, I.","Crystal structure of tris(triphenyltelluronium) fluoride tetrafluoroborate hemi(hexafluorosilicate) chloroform trisolvate, [Te(C~6~H~5~)~3~]~3~ [F][BF~4~][SiF~6~]~0.5~ · 3CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","594","596","","","","0.71073","MoKα","","0.0522","0.048","","","0.1262","0.1294","","","","","","1.077","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8101922","27.819","0.004","27.819","0.004","14.447","0.006","90","","90","","120","","9683","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","{μu-Dichloro-bis[N-benzyl-bis(2-pyridylmethyl)amino]dicopper(II)} diperchlorate ethanol solvate (1:2:2/3)","","- C39.33 H42 Cl4 Cu2 N6 O8.67 -","- C39.32 H41.96 Cl4 Cu2 N6 O8.66 -","- C353.88 H377.64 Cl36 Cu18 N54 O77.94 -","9","0.5","","Kaizer, J.; Góger, S.; Speier, G.; Réglier, M.; Giorgi, M.","Crystal structure of μ-dichlorobis(N-benzyl-bis(2-pyridyl-methyl) amino)dicopper(II) diperchlorate ethanol solvate (1:2/3), [Cu~2~Cl~2~{N (C~6~H~6~N)~2~(C~7~H~7~)}~2~][ClO~4~]~2~ · 2/3 C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","75","76","","","","0.71073","MoKα","","0.0495","0.04","","","0.1024","0.1091","","","","","","1.053","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102072","32.593","0.011","32.593","0.011","10.974","0.004","90","","90","","120","","10096","6","293","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(1,10-phenanthroline-κ^2^N,N')oxo(N-salicylideneisoleucinato- κ^3^O,N,O')vanadium(IV)","","- C25 H23 N3 O4 V -","- C25 H23 N3 O4 V -","- C450 H414 N54 O72 V18 -","18","1","","Li, L.-Z.; Jing, B.-Q.; Li, L.-W.; Xu, T.","Crystal structure of (1,10-phenanthroline-κ^2^N,N')oxo- (N-salicylideneisoleucinato-κ^3^O,N,O')vanadium(IV), VO(C~12~H~8~N~2~)(C~13~H~15~NO~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","520","522","","","","0.71073","MoKα","","0.1534","0.053","","","0.1164","0.152","","","","","","0.989","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8102158","36.6123","0.0016","36.6123","0.0016","5.5797","0.0003","90","","90","","120","","6477.3","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","3-amino-5-(furan-2-yl)-2-nitrobiphenyl-4-carbonitrile","","- C17 H11 N3 O3 -","- C17 H11 N3 O3 -","- C306 H198 N54 O54 -","18","1","","Li, Jie; Xue, Dong; Zhang, Zun-Ting","Crystal structure of 3-amino-5-(furan-2-yl)-2-nitrobiphenyl-4-carbonitrile, C~17~H~11~N~3~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","297","298","","","","0.71073","MoKα","","0.0732","0.0416","","","0.1067","0.1211","","","","","","0.936","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102343","22.52","0.004","22.52","0.004","39.433","0.007","90","","90","","120","","17319","5","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C129 H114 Au F6 O12 P7 Pd9 -","- C129 H114 Au F6.02 O12 P7 Pd9 -","- C774 H684 Au6 F36.12 O72 P42 Pd54 -","6","0.333333","","Willocq, Christopher; Hermans, Sophie; Devillers, Michel; Tinant, Bernard","Crystal structure of nonacarbonylhexakis(triphenylphosphane)nonapalladiumgold hexafluoridophosphate, [Pd~9~Au(CO)~9~(PPh~3~)~6~](PF~6~)","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","495","497","10.1524/ncrs.2008.0218","","","0.71069","MoKα","","0.0549","0.0473","","","0.1246","0.1287","","","","","","1.052","","","","has coordinates,has disorder","188741","2020-10-21","18:00:00",""
"8102376","32.006","0.005","32.006","0.005","10.753","0.002","90","","90","","120","","9539","3","273","2","273","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C114 H138 Mn6 N24 O30 -","- C114 H138 Mn6 N24 O30 -","- C342 H414 Mn18 N72 O90 -","3","0.166667","","Hai-Mei Feng; Zhu-Jun Chen; Xian-Wei Pan; Ke-Wei Lei","Crystal structure of hexa(N-acyl-3-hydroxy-2-naphthalenecarbo-hydrazide)-hexa(N,N-dimethyl- formamide)hexamanganese(III) - N,N-dimethylformamide (1:6), [Mn6(C13H9N2O3)6(C3H7NO)6] · (C3H7NO)6","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","51","","","","","0.71073","MoKα","","0.0609","0.0465","","","0.1289","0.1388","","","","","","0.998","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102540","31.459","0.013","31.459","0.013","12.33","0.03","90","","90","","120","","10568","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","[μ-11,23-Dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1 ^9,13^]-3,7,15,19-tetracyanomethyl tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diolato κ^8^N^3^,N^7^,O^25^,O^26^:N^15^,N^19^,O^25^,O^26^] -bis[(acetic-κ^2^O O')cadmium(II)] Cd2(C36H46N8O2)(CH3COO)2.0.8H2O","[μ-11,23-Dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1 ^9,13^]-3,7,15,19-tetracyanomethyl tetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diolato κ^8^N^3^,N^7^,O^25^,O^26^:N^15^,N^19^,O^25^,O^26^] -bis[(acetic-κ^2^O O')cadmium(II)] Cd2(C36H46N8O2)(CH3COO)2.0.8H2O","","- C40 H52 Cd2 N8 O6.8 -","- C40 H52 Cd2 N8 O6.8 -","- C360 H468 Cd18 N72 O61.2 -","9","0.5","","Huan-Huan Chen; Dao-Cheng Xia; Jian-Fang Ma","Crystal structure of [m-11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.19,13]-3,7,15,19-tetracyanomethyltetracosa-1(24),-9(25),10,12,21,23-hexaene-25,26-diolato-k8N3,N7,O25,O26:N15,N19,O25,O26]-bis[(acetato-k2O,O')cadmium(II)] hydrate, Cd2(C36H46N8O2)(CH3COO)2 · 0.8H2O","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","713","","","","","0.71073","MoKα","","0.0667","0.0446","","","0.1374","0.148","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102649","18.3023","0.0016","18.3023","0.0016","24.937","0.002","90","","90","","120","","7234.1","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C108 H90 N36 O258 P6 W72 -","- C54 N18 O249 P6 W72 -","- C54 N18 O249 P6 W72 -","1","0.0555556","","Hai-Xing Liu","Crystal structure of tri(2-acetylpyrazinium) dodecatungstophosphate, [C6H8N2O]3[PW12O40]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","243","","","","","0.71073","MoKα","","0.0573","0.0345","","","0.0983","0.1047","","","","","","0.962","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102894","8.2482","0.0011","8.2482","0.0011","25.658","0.004","90","","90","","120","","1511.7","0.4","293","2","295.15","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ag9.8 Ga8.2 Mg54 -","- Ag9.81 Ga8.244 Mg54 -","- Ag9.81 Ga8.244 Mg54 -","1","0.0555556","","Kudla, C.; Orucoglu, E.; Prots, Yu.; Kreiner, G.","Crystal structure of mono(silver, gallium) trimagnesium, Ag~0.55~Ga~0.45~Mg~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","123","124","","","","0.7107","MoKα","","0.035","0.031","","","0.058","0.06","","","","","","1.227","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103059","8.3601","0.0012","8.3601","0.0012","22.722","0.007","90","","90","","120","","1375.3","0.5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","Calcium Tin Phosphate(V)(0.5/2/3)","","- Ca0.5 O12 P3 Sn2 -","- Ca0.5 O12 P3 Sn2 -","- Ca3 O72 P18 Sn12 -","6","0.333333","","Dan Zhao; Feifei Li; Aiyun Zhang","Crystal structure of calcium tin phosphate(V), CaSn4(PO4)6","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","627","","","","","0.71073","MoKα","","0.0167","0.0157","","","0.0393","0.0398","","","","","","1.17","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103484","7.165","","7.165","","17.68","","90","","90","","120","","786.041","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba2 Ca (B3 O6)2","","- B6 Ba2 Ca O12 -","- B6 Ba2 Ca O12 -","- B18 Ba6 Ca3 O36 -","3","0.166667","","Liebertz, J.; Froehlich, R.","Struktur und Kristallchemie von Ba2 M(B3 O6)2 mit M=Ca,Cd,Mg,Co und Ni","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","293","297","10.1524/zkri.1984.168.1-4.293","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103839","25.438","","25.438","","9.271","","90","","90","","120","","5195.45","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Na27 Ca3 Al5 (P2 O7)12","","- Al5 Ca3 Na27 O84 P24 -","- Al5 Ca3 Na27 O84 P24 -","- Al15 Ca9 Na81 O252 P72 -","3","0.166667","","Alkemper, J.; Fuess, H.; Paulus, H.","Crystal structure of aluminium calcium sodium diphosphate, Na27 Ca3 Al5 (P2 O7)12","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","298","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","161321","2020-10-21","18:00:00",""
"8104178","4.711","","4.711","","23.254","","90","","90","","120","","446.945","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","(H3 O) (Al (S O4)2)","","- Al H3 O9 S2 -","- Al O9 S2 -","- Al3 O27 S6 -","3","0.166667","","Fischer, T.; Eisenmann, B.; Kniep, R.","Crystal structure of oxonium bis(sulfato)aluminate, H3 O (Al (S O4)2)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","465","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104245","13.7683","","13.7683","","9.1919","","90","","90","","120","","1509.03","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li (Al Ge O4)","","- Al Ge Li O4 -","- Al Ge Li O4 -","- Al18 Ge18 Li18 O72 -","18","1","","Fleet, M.E.","Crystal structures of alpha-Li Ga Si O4, alpha-Li Al Ge O4, and alpha-Li Ga Ge O4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104246","13.7683","","13.7683","","9.1919","","90","","90","","120","","1509.03","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Ga Ge O4","","- Ga Ge Li O4 -","- Ga Ge Li O4 -","- Ga18 Ge18 Li18 O72 -","18","1","","Fleet, M.E.","Crystal structures of alpha-LiGaSiO4, alpha-LiAlGeO4, and alpha-LiGaGeO4","Zeitschrift fuer Kristallographie (149,1979-)","1987","180","","63","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104251","8.5444","","8.5444","","10.1971","","90","","90","","120","","644.719","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Rh3 Se8 -","- Rh3 Se8 -","- Rh9 Se24 -","3","0.166667","","Hohnke, D.; Parthe, E.","The crystal structure of pyrite-related Rh3 Se8","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1968","127","","164","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104286","7.48","","7.48","","20.9","","90","","90","","120","","1012.7","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Sb I3","","- I3 Sb -","- I3 Sb -","- I18 Sb6 -","6","0.333333","","Trotter, J.; Zobel, T.","The Crystal Structure of SbI3 and BiI3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1966","123","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104287","7.516","","7.516","","20.718","","90","","90","","120","","1013.57","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Bi I3 -","- Bi I3 -","- Bi6 I18 -","6","0.333333","","Trotter, J.; Zobel, T.","The Crystal Structure of Sb I3 and Bi I3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1966","123","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104302","14.427","","14.427","","7.741","","90","","90","","120","","1395.34","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cu6 (Si6 O18)","","- Cu6 O18 Si6 -","- Cu6 O18 Si6 -","- Cu18 O54 Si18 -","3","0.166667","","Breuer, K.H.; Eysel, W.; Mueller, R.","Structural and chemical varieties of dioptase, Cu6 (Si6 O18) (H2 O)6 II. Stuctural properties","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","15","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","168942","2020-10-21","18:00:00",""
"8104305","13.931","","13.931","","9.304","","90","","90","","120","","1563.74","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li2 (Se O4)","","- Li2 O4 Se -","- Li2 O4 Se -","- Li36 O72 Se18 -","18","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3 N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104306","13.768","","13.768","","9.192","","90","","90","","120","","1508.98","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Al Ge O4","","- Al Ge Li O4 -","- Al Ge Li O4 -","- Al18 Ge18 Li18 O72 -","18","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104307","13.936","","13.936","","9.296","","90","","90","","120","","1563.52","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li Ga Ge O4","","- Ga Ge Li O4 -","- Ga Ge Li O4 -","- Ga18 Ge18 Li18 O72 -","18","1","","Hartmann, P.","A uniform description of phenakite type structures as superstructures of beta-Si3N4","Zeitschrift fuer Kristallographie (149,1979-)","1989","187","","139","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104491","5.0988","","5.0988","","14.932","","90","","90","","120","","336.19","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cd Ge O3 -","- Cd Ge O3 -","- Cd6 Ge6 O18 -","6","0.333333","","Susaki, J.; Konno, M.; Akimoto, S.","High-pressure synthesis and structural refinement of Cd Ge O3 ilmenite","Zeitschrift fuer Kristallographie (149,1979-)","1985","171","","243","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104523","15.956","0.003","15.956","0.003","7.703","0.002","90","","90","","120","","1698.4","0.6","","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Co H3 O5 P -","- Co H3 O5 P -","- Co18 H54 O90 P18 -","18","1","","Effenberger, H.; Parik, R.; Pertlik, F.; Rieck, B.","Synthesis and crystal structure of Co(PO3OH).H2O","Zeitschrift fur Kristallographie","1991","194","","199","206","10.1524/zkri.1991.194.14.199","","x-ray","0.71073","MoKα","","","0.032","","","0.027","","","","","","","1.61","","","","has coordinates","211137","2020-10-21","18:00:00",""
"8104745","16.768","0.0008","16.768","0.0008","9.7523","0.0004","90","","90","","120","","2374.65","0.19","213","","213","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H60 Mo2 N6 -","- C24 H60 Mo2 N6 -","- C72 H180 Mo6 N18 -","3","0.166667","","Brauner, Tobias; Wagner, Christoph; Merzweiler, Kurt","The crystal structure of Hexakis(diethylamido)dimolybdenum, Mo2(NEt2)6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","887","889","10.1515/ncrs-2021-0138","","","0.71073","MoKα","","0.0211","0.0205","","","0.0513","0.0517","","","","","","1.108","","","","has coordinates","273656","2022-03-11","10:06:03",""
"8104977","13.1897","0.0003","13.1897","0.0003","39.5222","0.0009","90","","90","","120","","5954.4","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H33 Cl9 Fe2 N12 O9 -","- C21 H33 Cl9 Fe2 N12 O9 -","- C126 H198 Cl54 Fe12 N72 O54 -","6","0.333333","","Reiss, Guido J.; Wyshusek, Maik","Cones with a three-fold symmetry constructed from three hydrogen bonded theophyllinium cations that coat [FeCl4]− anions in the crystal structure of tris(theophyllinium) bis(tetrachloridoferrate(III)) chloride trihydrate, C21H33Cl9Fe2N12O9","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","121","124","10.1515/ncrs-2021-0399","","","0.71073","MoKα","","0.0312","0.0255","","","0.0707","0.0743","","","","","","1.262","","","","has coordinates","274171","2022-03-31","08:22:01",""
"8105775","31.125","0.003","31.125","0.003","10.133","0.002","90","","90","","120","","8501","2","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H14 Cu N4 O6 S -","- C18 H14 Cu N4 O6 S -","- C324 H252 Cu18 N72 O108 S18 -","18","1","","Liu, Zheng-Jun; Chen, Xiao-Miao; Cheng, Jing-Song; Deng, Tao-Li; Qin, Lan","Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3 N: O:O′)(μ2-4,4′-bipyridine-κ2 N:N′)copper(II)], C18H14CuN4O6S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","547","548","10.1515/ncrs-2018-0550","","","0.71073","MoKα","","0.0494","0.0346","","","0.0839","0.09","","","","","","1.043","","","","has coordinates","277863","2022-09-15","08:17:58",""
"8105776","31.014","0.011","31.014","0.011","10.125","0.007","90","","90","","120","","8434","7","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H14 N4 Ni O6 S -","- C18 H14 N4 Ni O6 S -","- C324 H252 N72 Ni18 O108 S18 -","18","1","","Liu, Zheng-Jun; Chen, Xiao-Miao; Cheng, Jing-Song; Deng, Tao-Li; Qin, Lan","Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3 N:O:O′)(μ2-4,4′-bipyridine-κ2 N:N′) nickel(II)], C18H14NiN4O6S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","549","550","10.1515/ncrs-2018-0551","","","0.71073","MoKα","","0.0625","0.038","","","0.0848","0.0941","","","","","","1.041","","","","has coordinates","277864","2022-09-15","08:20:54",""
"8106079","17.8622","0.0004","17.8622","0.0004","12.5153","0.0003","90","","90","","120","","3458.13","0.14","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C5 H11 N O Si -","- C5 H11 N O Si -","- C90 H198 N18 O18 Si18 -","18","1","","Tong, Ya-Yan; Xu, Bo; Yin, Guang-Da; Song, Rong-Fei; Guo, Li-Bing; Zhao, Pei-Zheng","Crystal structure of 1,3,5-tris((trimethylsilyl)methyl)-1,3,5-triazinane-2,4,6-trione, C15H33N3O3Si3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","147","148","10.1515/ncrs-2017-0236","","x-ray","1.54184","CuKα","","0.0723","0.0689","","","0.1808","0.1876","","","","","","1.0308","","","","has coordinates","279253","2022-11-14","09:33:18",""
"8106771","30.732","0.002","30.732","0.002","18.6315","0.0015","90","","90","","120","","15239.1","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H42 N8 O3 -","- C36 H40 N8 O3 -","- C648 H720 N144 O54 -","18","1","","Zhang, Hui; Cao, Xin; Zhang, Bingguang; Liu, Yuhai","The crystal structure of (4E,11E,31E,38E)-1,4,12,15,18,26,31,39-Octaaza-7,21,24-trihydroxy-penta-cyclo[13·13·13·16,10·120,24·133,37]tetratetraconta-4,6(44),7,9,11,18,20(43),21,23,25,31,33(42),34,36,38-pentadecaene, C36H42N8O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","13","15","10.1515/ncrs-2014-9044","","","0.71073","MoKα","","0.1102","0.0447","","","0.1126","0.1315","","","","","","0.815","","","","has coordinates,has disorder","280875","2023-02-13","09:58:11",""
"9000083","4.815","","4.815","","16.119","","90","","90","","120","","323.639","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Steinfink, H.; Sans, F. J.","Refinement of the crystal structure of dolomite","American Mineralogist","1959","44","","679","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000105","4.8079","","4.8079","","16.01","","90","","90","","120","","320.504","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"9000106","4.777","","4.777","","15.641","","90","","90","","120","","309.105","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C2 Cd Mg O6 -","- C2 Cd Mg O6 -","- C6 Cd3 Mg3 O18 -","3","0.166667","","Graf, D. L.","Crystallographic tables for the rhombohedral carbonates","American Mineralogist","1961","46","","1283","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"9000173","5.226","","5.226","","14.325","","90","","90","","120","","338.816","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Melanostibite","- Fe0.5 Mn O3 Sb0.5 -","- Fe0.5 Mn O3 Sb0.5 -","- Fe3 Mn6 O18 Sb3 -","6","0.333333","","Moore, P. B.","Substitutions of the type (Sb0.5Fe0.5)-(Ti): The crystal structure of melanostibite","American Mineralogist","1968","53","","1104","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000251","10.926","","10.926","","51.3","","90","","90","","120","","5303.6","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Paracoquimbite","- Fe2 H9 O21 S3 -","- Fe2 H9 O21 S3 -","- Fe24 H108 O252 S36 -","12","0.666667","","Robinson, P. D.; Fang, J. H.","Crystal structures and mineral chemistry of hydrated ferric sulphates: II. The crystal structure of paracoquimbite","American Mineralogist","1971","56","","1567","1572","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000298","4.942","","4.942","","16.406","","90","","90","","120","","347.007","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Eitelite","- C2 Mg Na2 O6 -","- C2 Mg Na2 O6 -","- C6 Mg3 Na6 O18 -","3","0.166667","","Pabst, A.","The crystallography and structure of eitelite, Na2Mg(CO3)2","American Mineralogist","1973","58","","211","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000417","12.868","","12.868","","9.821","","90","","90","","120","","1408.34","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Yedlinite","- Cl6 Cr H4 O8 Pb6 -","- Cl6 Cr H4 O8 Pb6 -","- Cl18 Cr3 H12 O24 Pb18 -","3","0.166667","","Wood, M. M.; McLean, W. J.; Laughon, R. B.","The crystal structure and composition of yedlinite","American Mineralogist","1974","59","","1160","1165","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000463","10.7","","10.7","","28.17","","90","","90","","120","","2793.09","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Tetradymite","- Bi14 S8 Te13 -","- Bi14 S8 Te13 -","- Bi42 S24 Te39 -","3","0.166667","","Pauling, L.","The formula, structure, and chemical bonding of tetradymite, Bi14Te13S8, and the Phase Bi14Te15S6 cell parameters were computed from those provided in the rhombohedral setting","American Mineralogist","1975","60","","994","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000573","4.8033","","4.8033","","15.984","","90","","90","","120","","319.371","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Althoff, P. L.","Structural refinements of dolomite and a magnesian calcite and implications for dolomite formation in the marine environment","American Mineralogist","1977","62","","772","783","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9000576","14.566","","14.566","","7.778","","90","","90","","120","","1429.16","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dioptase","- Cu H2 O4 Si -","- Cu H2 O4 Si -","- Cu18 H36 O72 Si18 -","18","1","","Ribbe, P. H.; Gibbs, G. V.; Hamil, M.","A refinement of the structure of dioptase, Cu6[Si6O18]*6H2O Note: sample is from Reneville, Congo","American Mineralogist","1977","62","","807","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000825","15.282","","15.282","","43.507","","90","","90","","120","","8799.34","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Fillowite","- Ca4.66 Fe8.02 Mn35.6 Na11.72 O144 P36 -","- Ca4.66 Fe8.02 Mn35.6 Na11.72 O144 P36 -","- Ca13.98 Fe24.06 Mn106.8 Na35.16 O432 P108 -","3","0.166667","","Araki, T.; Moore, P. B.","Fillowite, Na2Ca(Mn,Fe)7(PO4)6: Its crystal structure","American Mineralogist","1981","66","","827","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000851","4.7284","","4.7284","","13.5591","","90","","90","","120","","262.537","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Akimotoite","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Horiuchi, H.; Hirano, M.; Ito, E.; Matsui, Y.","MgSiO3 (ilmenite-type): Single crystal X-ray diffraction study","American Mineralogist","1982","67","","788","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000885","4.8038","","4.8038","","16.006","","90","","90","","120","","319.877","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.501 Mg0.5 O3 -","- C Ca0.5005 Mg0.4995 O3 -","- C6 Ca3.003 Mg2.997 O18 -","6","0.333333","","Reeder, R. J.; Wenk, H. R.","Structure refinements of some thermally disordered dolomites sample EU","American Mineralogist","1983","68","","769","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000886","4.805","","4.805","","16.015","","90","","90","","120","","320.217","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.501 Mg0.499 O3 -","- C Ca0.501 Mg0.499 O3 -","- C6 Ca3.006 Mg2.994 O18 -","6","0.333333","","Reeder, R. J.; Wenk, H. R.","Structure refinements of some thermally disordered dolomites sample DO - 1050","American Mineralogist","1983","68","","769","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000887","4.805","","4.805","","16.022","","90","","90","","120","","320.357","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5005 Mg0.4995 O3 -","- C6 Ca3.003 Mg2.997 O18 -","6","0.333333","","Reeder, R. J.; Wenk, H. R.","Structure refinements of some thermally disordered dolomites sample DO - 1100","American Mineralogist","1983","68","","769","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000906","5.0884","","5.0884","","14.0855","","90","","90","","120","","315.839","","","","297.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 24 deg C","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000907","5.108","","5.108","","14.1287","","90","","90","","120","","319.253","","","","673.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 400 deg C","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000908","5.1182","","5.1182","","14.1566","","90","","90","","120","","321.162","","","","873.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 600 deg C","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000909","5.128","","5.128","","14.187","","90","","90","","120","","323.085","","","","1073.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 800 deg C","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000910","5.1412","","5.1412","","14.225","","90","","90","","120","","325.621","","","","1323.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 1050 deg C","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000911","5.0889","","5.0889","","14.0933","","90","","90","","120","","316.076","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure room temperature after heating","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000912","5.0875","","5.0875","","14.0827","","90","","90","","120","","315.664","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 1 atm","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000913","5.0691","","5.0691","","13.9849","","90","","90","","120","","311.209","","","","","","","","2540000","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 25.4 kbar","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000914","5.0635","","5.0635","","13.9518","","90","","90","","120","","309.787","","","","","","","","3460000","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 34.6 kbar","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000915","5.0561","","5.0561","","13.9115","","90","","90","","120","","307.989","","","","","","","","4610000","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Prewitt, C. T.","Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure 46.1 kbar","American Mineralogist","1984","69","","176","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001004","4.8069","","4.8069","","16.002","","90","","90","","120","","320.21","","","","297.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Anisotropic refinement, Temperature = 24 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001005","4.8104","","4.8104","","16.055","","90","","90","","120","","321.739","","","","473.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Anisotropic refinement, Temperature = 200 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001006","4.8162","","4.8162","","16.132","","90","","90","","120","","324.062","","","","673.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Anisotropic refinement, Temperature = 400 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001007","4.8228","","4.8228","","16.227","","90","","90","","120","","326.864","","","","873.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Anisotropic refinement, Temperature = 600 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001008","4.8069","","4.8069","","16.002","","90","","90","","120","","320.21","","","","297.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Rigid-body refinement, Temperature = 24 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001009","4.8104","","4.8104","","16.055","","90","","90","","120","","321.739","","","","473.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Rigid-body refinement, Temperature = 200 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001010","4.8162","","4.8162","","16.132","","90","","90","","120","","324.062","","","","673.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Rigid-body refinement, Temperature = 400 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001011","4.8228","","4.8228","","16.227","","90","","90","","120","","326.864","","","","873.15","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Reeder, R. J.; Markgraf, S. A.","High-temperature crystal chemistry of dolomite Sample: Rigid-body refinement, Temperature = 600 deg C","American Mineralogist","1986","71","","795","804","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001013","10.898","","10.898","","24.989","","90","","90","","120","","2570.24","","","","","","","","","","","","","7","R -3 :H","-R 3","148","","","Ungemachite","- Fe H12 K3 N2 Na8 O36 S6 -","- Fe H12 K3 N2 Na8 O36 S6 -","- Fe3 H36 K9 N6 Na24 O108 S18 -","3","0.166667","","Groat, L. A.; Hawthorne, F. C.","Structure of ungemachite, K3Na8Fe(SO4)6(NO3)2.6H2O, a mixed sulfate-nitrate mineral Note U(1,2) for N and Na1 have been altered to match symmetry constraints.","American Mineralogist","1986","71","","826","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001043","4.811","","4.811","","16.047","","90","","90","","120","","321.659","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Miser, D. E.; Swinnea, J. S.; Steinfink, H.","TEM observations and X-ray crystal-structure refinement of a twinned dolomite with a modulated microstructure","American Mineralogist","1987","72","","188","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001047","4.8732","","4.8732","","16.349","","90","","90","","120","","336.241","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Kutnohorite","- C Ca0.51 Mn0.49 O3 -","- C Ca0.51 Mn0.49 O3 -","- C6 Ca3.06 Mn2.94 O18 -","6","0.333333","","Peacor, D. R.; Essene, E. J.; Gaines, A. M.","Petrologic and crystal-chemical implications of cation order-disorder in kutnahorite (CaMn(CO3)2) Sample: Bald Knob kutnahorite Note: B(1,2) for MnA/CaA has been altered to match symmetry constraints. Note: B(1,1) and B(2,2) for CaB/MnB have been corrected.","American Mineralogist","1987","72","","319","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001048","4.894","","4.894","","16.5","","90","","90","","120","","342.249","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Kutnohorite","- C Ca0.555 Mn0.445 O3 -","- C Ca0.555 Mn0.445 O3 -","- C6 Ca3.33 Mn2.67 O18 -","6","0.333333","","Peacor, D. R.; Essene, E. J.; Gaines, A. M.","Petrologic and crystal-chemical implications of cation order-disorder in kutnahorite (CaMn(CO3)2) Sample: Sterling Hill kutnahorite","American Mineralogist","1987","72","","319","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001088","12.472","","12.472","","8.251","","90","","90","","120","","1111.5","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Downs, J. W.; Gibbs, G. V.","An exploratory examination of the electron density and electrostatic potential of phenakite","American Mineralogist","1987","72","","769","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001181","7.533","","7.533","","20.794","","90","","90","","120","","1021.89","","","","","","","","","","","","Bisbee, Arizona","4","R -3 :H","-R 3","148","","","Chalcophanite","- H6 Mn3 O10 Zn -","- H6 Mn3 O10 Zn -","- H36 Mn18 O60 Zn6 -","6","0.333333","","Post, J. E.; Appleman, D. E.","Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations Note: U(1,2) of O3 altered to match symmetry constraints Note: H positions determined by energy modelling","American Mineralogist","1988","73","","1401","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001182","7.541","","7.541","","20.824","","90","","90","","120","","1025.54","","","","","","","","","","","","Sterling Hill, New Jersey","4","R -3 :H","-R 3","148","","","Chalcophanite","- H6 Mn3 O10 Zn -","- H6 Mn3 O10 Zn -","- H36 Mn18 O60 Zn6 -","6","0.333333","","Post, J. E.; Appleman, D. E.","Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations Note: U(1,2) of O3 altered to match symmetry constraints","American Mineralogist","1988","73","","1401","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001245","4.8116","","4.8116","","16.0421","","90","","90","","120","","321.641","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca0.997 Fe0.234 Mg0.769 O6 -","- C2 Ca0.997 Fe0.234 Mg0.769 O6 -","- C6 Ca2.991 Fe0.702 Mg2.307 O18 -","3","0.166667","","Reeder, R. J.; Dollase, W. A.","Structural variation in the dolomite-ankerite solid-solution series: An X-ray, Mossbauer, and TEM study sample BM 1931-294","American Mineralogist","1989","74","","1159","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001246","4.824","","4.824","","16.1217","","90","","90","","120","","324.905","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca1.007 Fe0.542 Mg0.451 O6 -","- C2 Ca1.007 Fe0.542 Mg0.451 O6 -","- C6 Ca3.021 Fe1.626 Mg1.353 O18 -","3","0.166667","","Reeder, R. J.; Dollase, W. A.","Structural variation in the dolomite-ankerite solid-solution series: An X-ray, Mossbauer, and TEM study sample AMNH 6376","American Mineralogist","1989","74","","1159","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001247","4.8312","","4.8312","","16.1663","","90","","90","","120","","326.777","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca0.997 Fe0.73 Mg0.273 O6 -","- C2 Ca0.997 Fe0.73 Mg0.273 O6 -","- C6 Ca2.991 Fe2.19 Mg0.819 O18 -","3","0.166667","","Reeder, R. J.; Dollase, W. A.","Structural variation in the dolomite-ankerite solid-solution series: An X-ray, Mossbauer, and TEM study sample AMNH 8059","American Mineralogist","1989","74","","1159","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001411","4.836","","4.836","","16.186","","90","","90","","120","","327.826","","","","","","","","0","","","","","6","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C6 Ca2.991 Fe2.028 Mg0.819 Mn0.162 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 0.00 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001412","4.8163","","4.8163","","15.992","","90","","90","","120","","321.263","","","","","","","","1900000","","","","","6","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C6 Ca2.991 Fe2.028 Mg0.819 Mn0.162 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 1.90 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001413","4.807","","4.807","","15.881","","90","","90","","120","","317.802","","","","","","","","2970000","","","","","6","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C6 Ca2.991 Fe2.028 Mg0.819 Mn0.162 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 2.97 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001414","4.799","","4.799","","15.792","","90","","90","","120","","314.97","","","","","","","","4000000","","","","","6","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C2 Ca0.997 Fe0.676 Mg0.273 Mn0.054 O6 -","- C6 Ca2.991 Fe2.028 Mg0.819 Mn0.162 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 4.00 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001415","4.8064","","4.8064","","16.006","","90","","90","","120","","320.224","","","","","","","","0","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 0.00 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001416","4.791","","4.791","","15.856","","90","","90","","120","","315.193","","","","","","","","1500000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 1.50 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001417","4.7777","","4.7777","","15.73","","90","","90","","120","","310.955","","","","","","","","2900000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 2.90 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001418","4.7703","","4.7703","","15.653","","90","","90","","120","","308.475","","","","","","","","3700000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 3.70 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001419","4.7636","","4.7636","","15.582","","90","","90","","120","","306.214","","","","","","","","4690000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Ross, N. L.; Reeder, R. J.","High-pressure structural study of dolomite and ankerite P = 4.69 GPa","American Mineralogist","1992","77","","412","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001743","9.865","","9.865","","79.45","","90","","90","","120","","6696.05","","","","","","","","","","","","","8","R -3 :H","-R 3","148","","","Hyttsjoite","- Ba2 Ca5 Cl Fe2 Mn2 O96 Pb18 Si30 -","- Ba2 Ca5 Cl Fe2 Mn2 O96 Pb18 Si30 -","- Ba6 Ca15 Cl3 Fe6 Mn6 O288 Pb54 Si90 -","3","0.166667","","Grew, E. S.; Peacor, D. R.; Rouse, R. C.; Yates, M. G.; Su, S.-C.; Marquez, N.","Hyttsjoite, a new, complex layered plumbosilicate with unique tetrahedral sheets from Langban, Sweden Note: U(1,2) for Ca3 and Fe changed to match symmetry constraints.","American Mineralogist","1996","81","","743","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002542","13.532","","13.532","","9.044","","90","","90","","120","","1434.22","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","1","","Daniels, P.; Fyfe, C. A.","Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4) Not the correct model","American Mineralogist","2001","86","","279","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9003508","4.8072","","4.8072","","16.0048","","90","","90","","120","","320.306","","","","296","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 296 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003509","4.7924","","4.7924","","15.8119","","90","","90","","120","","314.5","","","","630","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 630 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003510","4.7918","","4.7918","","15.8283","","90","","90","","120","","314.747","","","","675","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 675 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003511","4.7917","","4.7917","","15.8816","","90","","90","","120","","315.794","","","","809","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 809 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003512","4.7925","","4.7925","","15.9312","","90","","90","","120","","316.886","","","","925","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 925 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003513","4.7938","","4.7938","","15.9652","","90","","90","","120","","317.735","","","","999","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 999 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003514","4.7941","","4.7941","","15.9868","","90","","90","","120","","318.205","","","","1039","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1039 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003515","4.7945","","4.7945","","16.0087","","90","","90","","120","","318.694","","","","1074","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1074 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003516","4.7942","","4.7942","","16.0061","","90","","90","","120","","318.602","","","","1070","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1070 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003517","4.7944","","4.7944","","16.0212","","90","","90","","120","","318.929","","","","1106","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1106 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003518","4.7956","","4.7956","","16.0405","","90","","90","","120","","319.473","","","","1142","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1142 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003519","4.7965","","4.7965","","16.0559","","90","","90","","120","","319.9","","","","1171","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1171 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003520","4.7985","","4.7985","","16.0815","","90","","90","","120","","320.677","","","","1205","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1205 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003521","4.8009","","4.8009","","16.1069","","90","","90","","120","","321.505","","","","1234","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1234 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003522","4.8039","","4.8039","","16.1397","","90","","90","","120","","322.563","","","","1265","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1265 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003523","4.8035","","4.8035","","16.1468","","90","","90","","120","","322.651","","","","1292","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1292 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003524","4.8055","","4.8055","","16.1791","","90","","90","","120","","323.565","","","","1320","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1320 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003525","4.8111","","4.8111","","16.2511","","90","","90","","120","","325.763","","","","1346","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1346 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003526","4.8084","","4.8084","","16.2802","","90","","90","","120","","325.98","","","","1362","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1362 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003527","4.809","","4.809","","16.2621","","90","","90","","120","","325.699","","","","1394","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1394 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003528","4.8089","","4.8089","","16.2901","","90","","90","","120","","326.247","","","","1400","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1400 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003529","4.8081","","4.8081","","16.2756","","90","","90","","120","","325.848","","","","1443","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1443 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003530","4.8072","","4.8072","","16.3354","","90","","90","","120","","326.922","","","","1466","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1466 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003749","4.729","","4.729","","13.559","","90","","90","","120","","262.601","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003750","4.707","","4.707","","13.474","","90","","90","","120","","258.533","","","","","","","","2500000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 2.5 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003751","4.697","","4.697","","13.408","","90","","90","","120","","256.174","","","","","","","","5700000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 5.7 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003752","4.688","","4.688","","13.354","","90","","90","","120","","254.166","","","","","","","","7800000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg6 O18 Si6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 7.8 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003753","4.9375","","4.9375","","13.743","","90","","90","","120","","290.153","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003754","4.923","","4.923","","13.687","","90","","90","","120","","287.275","","","","","","","","1800000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 1.8 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003755","4.907","","4.907","","13.605","","90","","90","","120","","283.701","","","","","","","","4700000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 4.7 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003756","4.88","","4.88","","13.502","","90","","90","","120","","278.464","","","","","","","","8100000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003757","4.871","","4.871","","13.458","","90","","90","","120","","276.533","","","","","","","","9300000","","","","","3","R -3 :H","-R 3","148","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge6 Mg6 O18 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 9.3 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003758","5.054","","5.054","","13.898","","90","","90","","120","","307.435","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003759","5.028","","5.028","","13.79","","90","","90","","120","","301.916","","","","","","","","3100000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 3.1 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003760","5.006","","5.006","","13.689","","90","","90","","120","","297.087","","","","","","","","5800000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 5.8 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003761","4.992","","4.992","","13.609","","90","","90","","120","","293.701","","","","","","","","8100000","","","","","3","R -3 :H","-R 3","148","","","","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.","Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa","American Mineralogist","2005","90","","1301","1307","10.2138/am.2005.1621","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004293","10.9055","","10.9055","","24.3949","","90","","90","","120","","2512.58","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Humberstonite","- K3 Mg N2 Na8 O36 S6 -","- K3 Mg N2 Na8 O36 S6 -","- K9 Mg3 N6 Na24 O108 S18 -","3","0.166667","","Burns, P. C.; Hawthorne, F. C.","The crystal structure of humberstonite, a mixed sulfate-nitrate mineral","The Canadian Mineralogist","1994","32","","381","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004336","16.02","","16.02","","19.92","","90","","90","","120","","4427.36","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","9","R -3 :H","-R 3","148","","","Abenakiite-(Ce)","- C6 Ce3 La1.02 Na26 Nd1.98 O66 P6 S Si6 -","- C6 Ce3 La1.02 Na26 Nd1.98 O66 P6 S Si6 -","- C18 Ce9 La3.06 Na78 Nd5.94 O198 P18 S3 Si18 -","3","0.166667","","McDonald, A. M.; Chao, G. Y.; Grice, J. D.","Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont Saint-Hilaire, Quebec: description and structure determination","The Canadian Mineralogist","1994","32","","843","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004344","4.781","","4.781","","15.381","","90","","90","","120","","304.476","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Tusionite","- B2 Mn O6 Sn -","- B2 Mn O6 Sn -","- B6 Mn3 O18 Sn3 -","3","0.166667","","Cooper, M. A.; Hawthorne, F. C.; Novak, M.","The crystal structure of tusionite, MnSn(BO3)2, a dolomite-structure borate","The Canadian Mineralogist","1994","32","","903","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004390","10.4369","","10.4369","","20.8871","","90","","90","","120","","1970.39","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Lindsleyite","- Ba Mn3 O38 Ti18 -","- Ba Mn3 O38 Ti18 -","- Ba3 Mn9 O114 Ti54 -","3","0.166667","","Peterson, R. C.; Grey, I. E.","Preparation and structure refinement of synthetic Ti-containing lindsleyite, BaMn3Ti18O38","The Canadian Mineralogist","1995","33","","1083","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004406","9.512","","9.512","","33.074","","90","","90","","120","","2591.56","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Shigaite","- Al3 H42 Mn6 Na O38 S2 -","- Al3 H42 Mn6 Na O38 S2 -","- Al9 H126 Mn18 Na3 O114 S6 -","3","0.166667","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of shigaite, [AlMn2(OH)6]3(SO4)2Na(H2O)6{H2O}6, a hydrotalcite-group mineral","The Canadian Mineralogist","1996","34","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004469","10.42","","10.42","","20.9413","","90","","90","","120","","1969.11","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Loveringite","- Ca1.6 Mn3 O38 Ti17.4 -","- Ca1.6 Mn3 O38 Ti17.4 -","- Ca4.8 Mn9 O114 Ti52.2 -","3","0.166667","","Peterson, R. C.","The stability and crystal chemistry of synthetic loveringite in the system Ca-Mn-Ti-O under strongly reducing conditions Sample: 9b","The Canadian Mineralogist","1998","36","","763","774","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004470","10.4027","","10.4027","","20.8817","","90","","90","","120","","1956.99","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Loveringite","- Ca1.5 Mn2.3 O38 Ti18.2 -","- Ca1.5 Mn2.3 O38 Ti18.2 -","- Ca4.5 Mn6.9 O114 Ti54.6 -","3","0.166667","","Peterson, R. C.","The stability and crystal chemistry of synthetic loveringite in the system Ca-Mn-Ti-O under strongly reducing conditions Sample: 36b","The Canadian Mineralogist","1998","36","","763","774","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004733","9.347","","9.347","","33","","90","","90","","120","","2496.83","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Nikischerite","- Al3 Fe6 H42 Na O38 S2 -","- Al3 Fe6 H42 Na O38 S2 -","- Al9 Fe18 H126 Na3 O114 S6 -","3","0.166667","","Huminicki, D. M. C.; Hawthorne, F. C.","The crystal structure of nikischerite, NaFeAl3(SO4)2(OH)18(H2O)12, a mineral of the shigaite group","The Canadian Mineralogist","2003","41","","79","82","10.2113/gscanmin.41.1.79","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004900","5.13058","","5.13058","","14.2465","","90","","90","","120","","324.767","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mn0.9 O3 Ti Zn0.1 -","- Mn0.9 O3 Ti Zn0.1 -","- Mn5.4 O18 Ti6 Zn0.6 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .1, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004901","5.11892","","5.11892","","14.1741","","90","","90","","120","","321.649","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mn0.7 O3 Ti Zn0.3 -","- Mn0.7 O3 Ti Zn0.3 -","- Mn4.2 O18 Ti6 Zn1.8 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .3, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004902","5.1063","","5.1063","","14.0992","","90","","90","","120","","318.374","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite-ecandrewsite","- Mn0.5 O3 Ti Zn0.5 -","- Mn0.5 O3 Ti Zn0.5 -","- Mn3 O18 Ti6 Zn3 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .5, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004903","5.09472","","5.09472","","14.0302","","90","","90","","120","","315.381","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Ecandrewsite","- Mn0.3 O3 Ti Zn0.7 -","- Mn0.3 O3 Ti Zn0.7 -","- Mn1.8 O18 Ti6 Zn4.2 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .7, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004904","5.08849","","5.08849","","13.9937","","90","","90","","120","","313.791","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Ecandrewsite","- Mn0.2 O3 Ti Zn0.8 -","- Mn0.2 O3 Ti Zn0.8 -","- Mn1.2 O18 Ti6 Zn4.8 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .8, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004928","4.814","","4.814","","16.0411","","90","","90","","120","","321.941","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.08 Mg0.92 O6 -","- C2 Ca1.08 Mg0.92 O6 -","- C6 Ca3.24 Mg2.76 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-116, Phase I","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004929","4.8274","","4.8274","","16.1374","","90","","90","","120","","325.68","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.17 Mg0.83 O6 -","- C2 Ca1.17 Mg0.83 O6 -","- C6 Ca3.51 Mg2.49 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-116, Phase II","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004930","4.8141","","4.8141","","16.0392","","90","","90","","120","","321.917","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.07 Mg0.93 O6 -","- C2 Ca1.07 Mg0.93 O6 -","- C6 Ca3.21 Mg2.79 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-098, Phase I","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004931","4.8247","","4.8247","","16.1243","","90","","90","","120","","325.051","","","","","","","","","","","","Lea County, New Mexico, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.13 Mg0.87 O6 -","- C2 Ca1.13 Mg0.87 O6 -","- C6 Ca3.39 Mg2.61 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-098, Phase II","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","288653","2024-01-03","17:00:04",""
"9004932","4.8114","","4.8114","","16.025","","90","","90","","120","","321.271","","","","","","","","","","","","Coke County, Texas, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.07 Mg0.93 O6 -","- C2 Ca1.07 Mg0.93 O6 -","- C6 Ca3.21 Mg2.79 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: 821-545, Phase I","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004933","4.8215","","4.8215","","16.111","","90","","90","","120","","324.353","","","","","","","","","","","","Coke County, Texas, USA","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca1.14 Mg0.86 O6 -","- C2 Ca1.14 Mg0.86 O6 -","- C6 Ca3.42 Mg2.58 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: 821-545, Phase II","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004934","4.817","","4.817","","16.0794","","90","","90","","120","","323.113","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Fe0.33 Mg0.67 O6 -","- C2 Ca Fe0.33 Mg0.67 O6 -","- C6 Ca3 Fe0.99 Mg2.01 O18 -","3","0.166667","","Drits, V. A.; McCarty, D. K.; Sakharov, B.; Milliken, K. L.","New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: ""Ankerite""","The Canadian Mineralogist","2005","43","","1255","1290","10.2113/gscanmin.43.4.1255","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005034","10.439","","10.439","","21.091","","90","","90","","120","","1990.42","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Senaite","- Fe8.558 O38 Pb0.508 Ti10.944 U0.466 -","- Fe8.558 O38 Pb0.508 Ti10.944 U0.466 -","- Fe25.674 O114 Pb1.524 Ti32.832 U1.398 -","3","0.166667","","Armbruster, T.; Kunz, M.","Cation arrangement in a unusual uranium-rich senaite: crystal structure study at 130 K","European Journal of Mineralogy","1990","2","","163","170","10.1127/ejm/2/2/0163","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005220","5.301","","5.301","","15.932","","90","","90","","120","","387.719","","","","","","","","","","","","Cetine mine, Tuscany, Italy","3","R -3 :H","-R 3","148","","","Brizziite","- Na O3 Sb -","- Na O3 Sb -","- Na6 O18 Sb6 -","6","0.333333","","Olmi, F.; Sabelli, C.","Brizzite, NaSbO3, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure","European Journal of Mineralogy","1994","6","","667","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005281","15.6476","","15.6476","","7.3119","","90","","90","","120","","1550.44","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ge3 H2 O10 Pb3 -","- Ge3 H2 O10 Pb3 -","- Ge18 H12 O60 Pb18 -","6","0.333333","","Otto, H. H.; Brandt, H. J.","Crystal structure of Pb6[Ge6O18]2H2O, a lead cyclo-germanate similar to the mineral dioptase","European Journal of Mineralogy","1996","8","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005645","5.716","","5.716","","55.444","","90","","90","","120","","1568.81","","","","","","","","","","","","Egbe District, Kabba Province, Nigeria","10","R -3 :H","-R 3","148","","","Ferronigerite-6N6S","- Al14.784 Fe1.97 H2 Li0.576 Mg0.258 Mn0.034 O32 Sn1.736 Ti0.264 Zn2.102 -","- Al14.784 Fe1.97 H2 Li0.576 Mg0.258 Mn0.034 O32 Sn1.736 Ti0.264 Zn2.102 -","- Al44.352 Fe5.91 H6 Li1.728 Mg0.774 Mn0.102 O96 Sn5.208 Ti0.792 Zn6.306 -","3","0.166667","","Armbruster, T.; Feenstra, A.","Lithium in nigerite-group minerals Note: sample #N17471 Note: X-coordinate of O7 adjusted to make the four M8-O7 bonds equivalent","European Journal of Mineralogy","2004","16","","247","254","10.1127/0935-1221/2004/0016-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005646","5.7109","","5.7109","","55.373","","90","","90","","120","","1564","","","","","","","","","","","","abandoned tin mine Tsomtaub, between Omaruru and Uis, Namibia","10","R -3 :H","-R 3","148","","","Ferronigerite-6N6S","- Al14.862 Fe1.95 H2 Li0.66 Mg0.24 Mn0.06 O32 Sn1.606 Ti0.394 Zn1.988 -","- Al14.862 Fe1.95 H2 Li0.66 Mg0.24 Mn0.06 O32 Sn1.606 Ti0.394 Zn1.988 -","- Al44.586 Fe5.85 H6 Li1.98 Mg0.72 Mn0.18 O96 Sn4.818 Ti1.182 Zn5.964 -","3","0.166667","","Armbruster, T.; Feenstra, A.","Lithium in nigerite-group minerals","European Journal of Mineralogy","2004","16","","247","254","10.1127/0935-1221/2004/0016-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005789","12.4704","","12.4704","","8.2504","","90","","90","","120","","1111.13","","","","","","","","100","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 1 bar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005790","12.437","","12.437","","8.228","","90","","90","","120","","1102.19","","","","","","","","1600000","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 16 kbar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005791","12.397","","12.397","","8.207","","90","","90","","120","","1092.32","","","","","","","","3600000","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 36 kbar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005792","12.37","","12.37","","8.188","","90","","90","","120","","1085.05","","","","","","","","4950000","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Au, A. Y.","High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 49.5 kbar","Physics and Chemistry of Minerals","1986","13","","69","78","10.1007/BF00311896","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005857","12.4376","","12.4376","","8.2312","","90","","90","","120","","1102.72","","","","298.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 25 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005858","12.449","","12.449","","8.24","","90","","90","","120","","1105.93","","","","543.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 270 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005859","12.4647","","12.4647","","8.2515","","90","","90","","120","","1110.27","","","","763.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 490 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005860","12.482","","12.482","","8.266","","90","","90","","120","","1115.31","","","","963.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 690 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006974","5.07894","","5.07894","","13.9269","","90","","90","","120","","311.122","","","","476.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 203 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006975","5.0845","","5.0845","","13.9353","","90","","90","","120","","311.992","","","","571.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 298 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006976","5.09101","","5.09101","","13.9543","","90","","90","","120","","313.218","","","","672.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 399 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006977","5.09641","","5.09641","","13.9695","","90","","90","","120","","314.225","","","","771.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 498 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006978","5.09689","","5.09689","","13.9709","","90","","90","","120","","314.315","","","","779.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 506 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006979","5.10042","","5.10042","","13.9775","","90","","90","","120","","314.9","","","","822.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 549 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006980","5.10401","","5.10401","","13.9829","","90","","90","","120","","315.465","","","","871.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 598 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006981","5.10777","","5.10777","","13.9886","","90","","90","","120","","316.059","","","","920.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 647 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006982","5.11145","","5.11145","","13.9938","","90","","90","","120","","316.632","","","","970.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 697 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006983","5.1131","","5.1131","","13.9964","","90","","90","","120","","316.895","","","","994.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 721 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006984","5.11492","","5.11492","","13.9982","","90","","90","","120","","317.162","","","","1018.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 745 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006985","5.11667","","5.11667","","14.0008","","90","","90","","120","","317.438","","","","1042.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 769 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006986","5.11842","","5.11842","","14.0031","","90","","90","","120","","317.707","","","","1066.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 793 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006991","5.1188","","5.1188","","14.002","","90","","90","","120","","317.729","","","","1068.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 795 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006992","5.10615","","5.10615","","13.9817","","90","","90","","120","","315.702","","","","867.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 594 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006993","5.09407","","5.09407","","13.9592","","90","","90","","120","","313.705","","","","665.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 392 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006994","5.08205","","5.08205","","13.939","","90","","90","","120","","311.774","","","","476.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 203 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006995","5.08175","","5.08175","","13.9383","","90","","90","","120","","311.722","","","","482.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 209 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006996","5.08755","","5.08755","","13.9485","","90","","90","","120","","312.662","","","","574.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 301 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006997","5.09392","","5.09392","","13.9672","","90","","90","","120","","313.866","","","","671.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 398 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006998","5.09968","","5.09968","","13.9803","","90","","90","","120","","314.871","","","","770.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 497 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006999","5.10668","","5.10668","","13.9928","","90","","90","","120","","316.019","","","","870.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 597 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007000","5.11451","","5.11451","","14.0061","","90","","90","","120","","317.29","","","","970.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 697 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007001","5.11897","","5.11897","","14.0135","","90","","90","","120","","318.011","","","","1018.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 745 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007002","5.12327","","5.12327","","14.0202","","90","","90","","120","","318.698","","","","1067.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 794 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007003","5.12539","","5.12539","","14.0237","","90","","90","","120","","319.041","","","","1091.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 818 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007004","5.12732","","5.12732","","14.0255","","90","","90","","120","","319.323","","","","1116.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 843 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007005","5.1294","","5.1294","","14.0271","","90","","90","","120","","319.618","","","","1141.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 868 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007006","5.13122","","5.13122","","14.0301","","90","","90","","120","","319.914","","","","1166.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 893 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007010","5.1322","","5.1322","","14.0317","","90","","90","","120","","320.072","","","","1166.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 893 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007011","5.12512","","5.12512","","14.0236","","90","","90","","120","","319.006","","","","1066.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 793 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007012","5.11249","","5.11249","","14.0019","","90","","90","","120","","316.944","","","","865.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 592 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007384","5.1386","","5.1386","","14.2857","","90","","90","","120","","326.679","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Pyrophanite","- Mn O3 Ti -","- Mn O3 Ti -","- Mn6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007385","5.0855","","5.0855","","14.0191","","90","","90","","120","","313.992","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mn0.5 Ni0.5 O3 Ti -","- Mn0.5 Ni0.5 O3 Ti -","- Mn3 Ni3 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007386","5.077","","5.077","","13.9727","","90","","90","","120","","311.907","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.25 Mn0.25 Ni0.25 O3 Ti Zn0.25 -","- Mg0.25 Mn0.25 Ni0.25 O3 Ti Zn0.25 -","- Mg1.5 Mn1.5 Ni1.5 O18 Ti6 Zn1.5 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007387","5.0544","","5.0544","","13.8737","","90","","90","","120","","306.946","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Geikielite","- Mg0.333 Ni0.333 O3 Ti Zn0.333 -","- Mg0.33333 Ni0.33333 O3 Ti Zn0.33333 -","- Mg1.99998 Ni1.99998 O18 Ti6 Zn1.99998 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007388","5.0418","","5.0418","","13.8494","","90","","90","","120","","304.883","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Geikielite","- Mg0.5 Ni0.5 O3 Ti -","- Mg0.5 Ni0.5 O3 Ti -","- Mg3 Ni3 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007389","5.0321","","5.0321","","13.7924","","90","","90","","120","","302.461","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ni O3 Ti -","- Ni O3 Ti -","- Ni6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures","Physics and Chemistry of Minerals","2005","32","","442","449","10.1007/s00269-005-0020-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007441","5.937","","5.937","","16.698","","90","","90","","120","","509.717","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Cr2 S3 -","- Cr2 S3 -","- Cr12 S18 -","6","0.333333","","Jellinek, F.","The structures of the chromium sulphides","Acta Crystallographica","1957","10","","620","628","10.1107/S0365110X57002200","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007568","9.36","","9.36","","36.48","","90","","90","","120","","2767.82","","","","","","","","","","","","Radzein, Bohemia, Czech Republic","8","R -3 :H","-R 3","148","","","Zeophyllite","- Al0.7 Ca12.098 F8.4 H13 Mg0.1 Na0.102 O35.6 Si10 -","- Al0.7 Ca12.098 F8.4 H12 Mg0.1 Na0.102 O35.6 Si10 -","- Al2.1 Ca36.294 F25.2 H36 Mg0.3 Na0.306 O106.8 Si30 -","3","0.166667","","Merlino, S.","The crystal structure of zeophyllite","Acta Crystallographica, Section B","1972","28","","2726","2732","10.1107/S0567740872006855","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007602","13.654","","13.654","","14.041","","90","","90","","120","","2266.98","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Paratacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl24 Cu48 H72 O72 -","24","1.33333","","Fleet, M. E.","The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Ordered structure, considered to be the true structure","Acta Crystallographica, Section B","1975","31","","183","187","10.1107/S0567740875002324","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007603","6.827","","6.827","","14.041","","90","","90","","120","","566.746","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Paratacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl6 Cu12 H18 O18 -","6","0.333333","","Fleet, M. E.","The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, can be considered as the average structure","Acta Crystallographica, Section B","1975","31","","183","187","10.1107/S0567740875002324","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007604","6.827","","6.827","","14.041","","90","","90","","120","","566.746","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Paratacamite","- Cl Cu2 O3 -","- Cl Cu2 O3 -","- Cl6 Cu12 O18 -","6","0.333333","","Fleet, M. E.","The crystal structure of paratacamite, Cu2(OH)3Cl Sample: Substructure, with disordered oxygens","Acta Crystallographica, Section B","1975","31","","183","187","10.1107/S0567740875002324","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007627","13.948","","13.948","","9.315","","90","","90","","120","","1569.41","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","Willemite","- O4 Si Zn2 -","- O4 Si Zn2 -","- O72 Si18 Zn36 -","18","1","","Klaska, K.-H.; Eck, J. C.; Pohl, D.","New investigation of willemite Note: Anisotropic displacement parameters are from ICSD","Acta Crystallographica, Section B","1978","34","","3324","3325","10.1107/S0567740878010778","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007642","10.136","","10.136","","17.318","","90","","90","","120","","1540.85","","","","","","","","","","","","Synthetic","5","R -3 :H","-R 3","148","","","Tachyhydrite","- Ca Cl6 H24 Mg2 O12 -","- Ca Cl6 H24 Mg2 O12 -","- Ca3 Cl18 H72 Mg6 O36 -","3","0.166667","","Clark, J. R.; Evans, H. T.; Erd, R. C.","Tachyhydrite, dimagnesium calcium chloride 12-hydrate","Acta Crystallographica, Section B","1980","36","","2736","2739","10.1107/S0567740880009818","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007673","5.139","","5.139","","14.283","","90","","90","","120","","326.669","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Pyrophanite","- Mn O3 Ti -","- Mn O3 Ti -","- Mn6 O18 Ti6 -","6","0.333333","","Kidoh, K.; Tanaka, K.; Marumo, F.; Takei, H.","Electron density distribution in ilmenite-type crystals. II. Manganese (II) titanium (IV) trioxide Sample: ilmenite structure","Acta Crystallographica, Section B","1984","40","4","329","332","10.1107/S0108768184002238","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007738","9.369","","9.369","","9.731","","90","","90","","120","","739.732","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Co D12 F6 O6 Si -","- Co D12 F6 O6 Si -","- Co3 D36 F18 O18 Si3 -","3","0.166667","","Chevrier, G.; Saint-James R","Structure investigation by neutron diffraction of deuterated cobalt fluosilicate hexahydrate","Acta Crystallographica, Section C","1990","46","","186","189","10.1107/S0108270189006128","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007998","8.3","","8.3","","22.469","","90","","90","","120","","1340.51","","","","","","","","","","","","Synthetic","6","R -3 :H","-R 3","148","","","","- Cr4 K0.31 Li4.998 Na0.69 O24 P6 -","- Cr4 K0.31 Li4.998 Na0.69 O24 P6 -","- Cr12 K0.93 Li14.994 Na2.07 O72 P18 -","3","0.166667","","Kouass, S.; Boughzala, H.","NASICON-type Li2.5K0.16Na0.34Cr2(PO4)3","Acta Crystallographica, Section E","2005","61","","i231","i233","10.1107/S1600536805022269","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008097","7.208","","7.208","","21.436","","90","","90","","120","","964.504","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- As I3 -","- As I3 -","- As6 I18 -","6","0.333333","","Trotter, J.","The crystal structure of arsenic triiodide, AsI3","Zeitschrift fur Kristallographie","1965","121","","81","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008166","13.98","","13.98","","9.12","","90","","90","","120","","1543.62","","","","","","","","","","","","Lengenbach quarry, Binnatal, Canton Wallis, Switzerland","3","R -3 :H","-R 3","148","","","Trechmannite","- Ag As S2 -","- Ag As S2 -","- Ag18 As18 S36 -","18","1","","Matsumoto, T.; Nowacki, W.","The crystal structure of trechmannite, AgAsS2","Zeitschrift fur Kristallographie","1969","129","","163","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008258","8.2362","","8.2362","","22.1786","","90","","90","","120","","1302.92","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Mikasaite","- Fe2 O12 S3 -","- Fe2 O12 S3 -","- Fe12 O72 S18 -","6","0.333333","","Christidis, P. C.; Rentzeperis, P. J.","The crystal structure of rhombohedral Fe2(SO4)3 Sample: synthetic","Zeitschrift fur Kristallographie","1976","144","","341","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008290","10.756","","10.756","","28.678","","90","","90","","120","","2873.3","","","","","","","","","","","","Cornwall, England","6","R -3 :H","-R 3","148","","","Chalcophyllite","- Al As2 Cu9 H48 O44 S1.5 -","- Al As2 Cu9 H48 O44 S1.5 -","- Al3 As6 Cu27 H144 O132 S4.5 -","3","0.166667","","Sabelli, C.","The crystal structure of chalcophyllite","Zeitschrift fur Kristallographie","1980","151","","129","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9009253","18.28","","18.28","","8.652","","90","","90","","120","","2503.8","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Benstonite","- C13 Ba6 Ca6 Mg O39 -","- C13 Ba6 Ca6 Mg O39 -","- C39 Ba18 Ca18 Mg3 O117 -","3","0.166667","","Effenberger, H.","Kristallstruktur und chemische formel des benstonits, Ba6Ca6Mg(CO3)13","Neues Jahrbuch fur Mineralogie, Abhandlungen","1979","136","","326","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009278","12.2","","12.2","","35.13","","90","","90","","120","","4528.23","","","","","","","","","","","","La Alcaparros, Argentina","6","R -3 :H","-R 3","148","","","Slavikite","- Fe5 H78 Mg2 Na O67 S7 -","- Fe5 H72 Mg2 Na O67 S7 -","- Fe15 H216 Mg6 Na3 O201 S21 -","3","0.166667","","Susse, P.","Slavikit: kristallstruktur und chemische formel","Neues Jahrbuch fur Mineralogie, Monatshefte","1973","1973","","93","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009281","12.2","","12.2","","35.13","","90","","90","","120","","4528.23","","","","","","","","","","","","La Alcaparrosa, San Juan, Argentina","6","R -3 :H","-R 3","148","","","Slavikite","- Fe5 H78 Mg2 Na O67 S7 -","- Fe5 H72 Mg2 Na O67 S7 -","- Fe15 H216 Mg6 Na3 O201 S21 -","3","0.166667","","Susse, P.","Struktur und kristallchemie des slavikits, NaMg2Fe5(SO4)7(OH)6(H2O)33","Neues Jahrbuch fur Mineralogie, Monatshefte","1975","1975","","27","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009293","4.946","","4.946","","16.422","","90","","90","","120","","347.908","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Eitelite","- C2 Mg Na2 O6 -","- C2 Mg Na2 O6 -","- C6 Mg3 Na6 O18 -","3","0.166667","","Knobloch, D.; Pertlik, F.; Zemann, J.","Crystal structure refinements of buetschliite and eitelite: a contribution to the stereochemistry of trigonal carbonate minerals Note: synthetic","Neues Jahrbuch fur Mineralogie, Monatshefte","1980","1980","","230","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009324","4.858","","4.858","","16.08","","90","","90","","120","","328.649","","","","","","","","","","","","Stiepelman mine, SW Africa","4","R -3 :H","-R 3","148","","","Nordenskioldine","- B2 Ca O6 Sn -","- B2 Ca O6 Sn -","- B6 Ca3 O18 Sn3 -","3","0.166667","","Effenberger, H.; Zemann, J.","The detailed crystal structure of nordenskioeldine, CaSn(BO3)2","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","1986","","111","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009441","11.66","","11.66","","28.69","","90","","90","","120","","3377.99","","","","","","","","","","","","Laytonville district, Mendocino County, California","8","R -3 :H","-R 3","148","","","Zussmanite","- Al Fe10.92 H14 K0.92 Mg2.08 Na0.07 O56 Si17 -","- Al1.00002 Fe10.92 H14 K0.92 Mg2.08 Na0.07 O56 Si17 -","- Al3.00006 Fe32.76 H42 K2.76 Mg6.24 Na0.21 O168 Si50.9999 -","3","0.166667","","Lopes-Vieira A; Zussman, J.","Further detail on the crystal structure of zussmanite","Mineralogical Magazine","1969","37","","49","60","10.1180/minmag.1969.037.285.06","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9009554","14.175","","14.175","","8.605","","90","","90","","120","","1497.36","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","Tuliokite","- C6 H12 Ba Na6 O24 Th -","- C6 H12 Ba Na6 O24 Th -","- C18 H36 Ba3 Na18 O72 Th3 -","3","0.166667","","Yamnova, N. A.; Pushcharovsky D Yu; Voloshin, A. V.","Crystal structure of the tuliokite - a new natural Na, Ba, Th carbonate","Doklady Akademii Nauk SSSR","1990","310","","99","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009591","4.83","","4.83","","16.167","","90","","90","","120","","326.629","","","","","","","","","","","","Erzberg, Etage Dreikonig, Styria, Austria","6","R -3 :H","-R 3","148","","","Ankerite","- C2 Ca1.05 Fe0.63 Mg0.27 Mn0.05 O6 -","- C2 Ca1.05 Fe0.63 Mg0.27 Mn0.05 O6 -","- C6 Ca3.15 Fe1.89 Mg0.81 Mn0.15 O18 -","3","0.166667","","Beran, A.; Zemann, J.","Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite","TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","4","279","286","10.1007/BF01081130","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9010104","14.9628","","14.9628","","42.756","","90","","90","","120","","8289.98","","","","","","","","","","","","Larsemann Hills, Prydz Bay, East Antarctica","8","R -3 :H","-R 3","148","","","Stornesite-(Y)","- Ca5.107 Fe11.19 Mg31.81 Na9.282 O144 P36 Y0.677 Yb0.06 -","- Ca5.107 Fe11.19 Mg31.81 Na9.282 O144 P36 Y0.677 Yb0.06 -","- Ca15.321 Fe33.57 Mg95.43 Na27.846 O432 P108 Y2.031 Yb0.18 -","3","0.166667","","Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M. G.; Carson, C. J.","Stornesite-(Y), (Y, Ca)Vacancy2Na6(Ca,Na)8(Mg,Fe)43(PO4)36, the first terrestrial Mg-dominant member of the fillowite group, from granulite-facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica Note: Isostructural with chladniite","American Mineralogist","2006","91","","1412","1424","10.2138/am.2006.2219","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010200","4.7821","","4.7821","","15.697","","90","","90","","120","","310.874","","","","","","","","","","synthesized at 500 C","synthesized at 500 C, 1 GPa, 96 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010201","4.7822","","4.7822","","15.691","","90","","90","","120","","310.768","","","","873.15","","","","","","synthesized at 500 C","synthesized at 500 C, 1 GPa, 96 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h Sample: disordered at T = 600 C, t = 20 min","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010202","4.7819","","4.7819","","15.698","","90","","90","","120","","310.868","","","","873.15","","","","","","synthesized at 500 C","synthesized at 500 C, 1 GPa, 96 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 500 C, 1 GPa, 96 h Sample: disordered at T = 600 C, t = 48 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010207","4.8113","","4.8113","","15.8356","","90","","90","","120","","317.461","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","4","R -3 :H","-R 3","148","","","Otavite","- C Cd0.6 Mg0.4 O3 -","- C Cd0.6 Mg0.4 O3 -","- C6 Cd3.6 Mg2.4 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .4, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010208","4.7792","","4.7792","","15.6884","","90","","90","","120","","310.327","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010209","4.759","","4.759","","15.5956","","90","","90","","120","","305.889","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 3 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.4 Mg0.6 O3 -","- C Cd0.4 Mg0.6 O3 -","- C6 Cd2.4 Mg3.6 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .6, synthesized at 600 C, 1 GPa, 3 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010211","4.8116","","4.8116","","15.8303","","90","","90","","120","","317.394","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 19 h","Synthetic","4","R -3 :H","-R 3","148","","","Otavite","- C Cd0.6 Mg0.4 O3 -","- C Cd0.6 Mg0.4 O3 -","- C6 Cd3.6 Mg2.4 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .4, synthesized at 600 C, 1 GPa, 19 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010212","4.7963","","4.7963","","15.7663","","90","","90","","120","","314.104","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 19 h","Synthetic","4","R -3 :H","-R 3","148","","","Otavite","- C Cd0.55 Mg0.45 O3 -","- C Cd0.55 Mg0.45 O3 -","- C6 Cd3.3 Mg2.7 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .45, synthesized at 600 C, 1 GPa, 19 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010213","4.7813","","4.7813","","15.7023","","90","","90","","120","","310.875","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 19 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 19 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010214","4.7752","","4.7752","","15.673","","90","","90","","120","","309.504","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 19 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.45 Mg0.55 O3 -","- C Cd0.45 Mg0.55 O3 -","- C6 Cd2.7 Mg3.3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .55, synthesized at 600 C, 1 GPa, 19 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010215","4.7818","","4.7818","","15.7028","","90","","90","","120","","310.95","","","","","","","","","","synthesized at 600 C","synthesized at 600 C, 1 GPa, 96 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 600 C, 1 GPa, 96 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010216","4.7824","","4.7824","","15.7082","","90","","90","","120","","311.135","","","","","","","","","","synthesized at 650 C","synthesized at 650 C, 1 GPa, 120 h","Synthetic","4","R -3 :H","-R 3","148","","","Magnesite","- C Cd0.5 Mg0.5 O3 -","- C Cd0.5 Mg0.5 O3 -","- C6 Cd3 Mg3 O18 -","6","0.333333","","Bromiley, F. A.; Boffa Ballaran, T.; Langenhorst, F.; Seifert, F.","Order and miscibility in the otavite - magnesite solid solution Sample: X_Mg = .5, synthesized at 650 C, 1 GPa, 120 h","American Mineralogist","2007","92","","829","836","10.2138/am.2007.2315","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010581","5.1303","","5.1303","","14.2428","","90","","90","","120","","324.647","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.1 Mn0.9 O3 Ti -","- Mg0.1 Mn0.9 O3 Ti -","- Mg0.6 Mn5.4 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.1","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010582","5.1234","","5.1234","","14.2054","","90","","90","","120","","322.924","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.2 Mn0.8 O3 Ti -","- Mg0.2 Mn0.8 O3 Ti -","- Mg1.2 Mn4.8 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.2","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010583","5.1149","","5.1149","","14.1614","","90","","90","","120","","320.857","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.3 Mn0.7 O3 Ti -","- Mg0.3 Mn0.7 O3 Ti -","- Mg1.8 Mn4.2 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.3","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010584","5.1084","","5.1084","","14.1286","","90","","90","","120","","319.3","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.4 Mn0.6 O3 Ti -","- Mg0.4 Mn0.6 O3 Ti -","- Mg2.4 Mn3.6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.4","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010585","5.1007","","5.1007","","14.091","","90","","90","","120","","317.491","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mg0.5 Mn0.5 O3 Ti -","- Mg0.5 Mn0.5 O3 Ti -","- Mg3 Mn3 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.5","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010586","5.0921","","5.0921","","14.0532","","90","","90","","120","","315.573","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Geikielite","- Mg0.6 Mn0.4 O3 Ti -","- Mg0.6 Mn0.4 O3 Ti -","- Mg3.6 Mn2.4 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 0.6","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010587","5.0567","","5.0567","","13.9034","","90","","90","","120","","307.883","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","Geikielite","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Liferovich, R. P.; Mitchell, R. H.","The pyrophanite-geikielite solid-solution series: crystal structures of the Mn1-xMgxTiO3 series (0 < x < 0.7) Sample: XMg = 1.0 Note: No bond lengths could be reproduced with the reported dataset","The Canadian Mineralogist","2006","44","","1099","1107","10.2113/gscanmin.44.5.1099","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010768","15.2741","","15.2741","","43.334","","90","","90","","120","","8755.29","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- H6 Mn23.52 Na5.81 O72.48 P18 -","- H0.96 Mn23.52 Na5.81 O72.48 P18 -","- H5.76 Mn141.12 Na34.86 O434.88 P108 -","6","0.333333","","Keller, P.; Hatert, F.; Lissner, F.; Schleid, T.; Fransolet, A. M.","Hydrothermal synthesis and crystal structure of Na(NaMn)7Mn22(PO4)18*0.5H2O, a new compund of fillowite structure type","European Journal of Mineralogy","2006","18","","765","774","10.1127/0935-1221/2006/0018-0765","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010912","5.0881","","5.0881","","14.091","","90","","90","","120","","315.925","","","","","","","","100","","","","Synthetic","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Nomori, H.","Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 1 atm","Physics and Chemistry of Minerals","2007","34","","307","318","10.1007/s00269-007-0149-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010913","5.0678","","5.0678","","13.9956","","90","","90","","120","","311.287","","","","","","","","3600000","","","","Synthetic","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Nomori, H.","Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 3.6 Gpa","Physics and Chemistry of Minerals","2007","34","","307","318","10.1007/s00269-007-0149-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010914","5.0567","","5.0567","","13.8892","","90","","90","","120","","307.569","","","","","","","","5300000","","","","Synthetic","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Nomori, H.","Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 5.3 GPa","Physics and Chemistry of Minerals","2007","34","","307","318","10.1007/s00269-007-0149-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010915","5.0398","","5.0398","","13.7968","","90","","90","","120","","303.484","","","","","","","","8200000","","","","Synthetic","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Yamanaka, T.; Komatsu, Y.; Nomori, H.","Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 8.2 GPa","Physics and Chemistry of Minerals","2007","34","","307","318","10.1007/s00269-007-0149-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011261","5.05478","","5.05478","","13.8992","","90","","90","","120","","307.557","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","Geikielite","- Mg O3 Ti -","- Mg O3 Ti -","- Mg6 O18 Ti6 -","6","0.333333","","Wechsler, B. A.; Von Dreele, R. B.","Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic","Acta Crystallographica, Section B","1989","45","6","542","549","10.1107/S010876818900786X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011469","13.473","","13.473","","9.001","","90","","90","","120","","1414.98","","","","","","","","","","","","Synthetic","4","R -3 :H","-R 3","148","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","1","","Hesse, K. F.","Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4","Zeitschrift fur Kristallographie","1985","172","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011470","13.471","","13.471","","8.998","","90","","90","","120","","1414.09","","","","","","","","","","","","Zimbabwae","4","R -3 :H","-R 3","148","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","1","","Hesse, K. F.","Crystal structures of natural and synthetic alpha-eucryptite, LiAlSiO4","Zeitschrift fur Kristallographie","1985","172","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011499","8.0246","","8.0246","","21.357","","90","","90","","120","","1191.02","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","Millosevichite","- Al2 O12 S3 -","- Al12 O72 S18 -","- Al12 O72 S18 -","","","","Dahmen, T.; Gruehn, R.","Beitrage zum thermischen verhalten von sulfaten. IX. Einkristallstrukturverfeinerung der metall(III)-sulfate Cr2(SO4)3 und Al2(SO4)3 Locality: synthetic","Zeitschrift fur Kristallographie","1993","204","","57","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011500","8.1245","","8.1245","","21.944","","90","","90","","120","","1254.41","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cr2 O12 S3 -","- Cr2 O12 S3 -","- Cr12 O72 S18 -","6","0.333333","","Dahmen, T.; Gruehn, R.","Beitraege zum thermischen verhalten von sulfaten. IX. Einkristallstrukturverfeinerung der metall(III)-sulfate Cr2(SO4)3 und Al2(SO4)3","Zeitschrift fur Kristallographie","1993","204","","57","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:42",""
"9011956","24.17699","","24.17699","","7.656","","90","","90","","120","","3875.58","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Fibroferrite","- Fe H11 O10 S -","- Fe O10 S -","- Fe18 O180 S18 -","18","1","","Scordari, F.","Fibroferrite: A mineral with a {Fe(OH)(H2O)2SO4} spiral chain and its relationship to Fe(OH)SO4, butlerite and parabutlerite Locality: Saint Felix de Pailleres, France","Tschermaks Mineralogische und Petrographische Mitteilungen","1981","28","","17","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9012000","6.065","","6.065","","17.42","","90","","90","","120","","554.933","","","","","","","","","","","","Synthetic","2","R -3 :H","-R 3","148","","","Molysite","- Cl3 Fe -","- Cl3 Fe -","- Cl18 Fe6 -","6","0.333333","","Hashimoto, S.; Forster, K.; Moss, S. C.","Structure refinement of an FeCl3 crystal using a thin plate sample","Journal of Applied Crystallography","1988","22","","173","180","10.1107/S0021889888013913","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012070","7.773","","7.773","","35.414","","90","","90","","120","","1853.03","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba2 O32 Ta15 -","- Ba2 O32 Ta15 -","- Ba6 O96 Ta45 -","3","0.166667","","Siegrist, T.; Cava, R. J.; Krajewski, J. J.","Reduced alkaline earth tantalates","Materials Research Bulletin","1997","32","","881","887","10.1016/S0025-5408(97)00066-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012185","16.962","","16.962","","9.6664","","90","","90","","120","","2408.52","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","Tveitite-(Y)","- Ca6.5 F21.5 Y3 -","- Ca6.5 F21.5 Y3 -","- Ca39 F129 Y18 -","6","0.333333","","Bevan, D. J. M.; Strahle, J.; Greis, O.","The crystal structure of tveitite, an ordered yttrofluorite mineral Note: a and b adjusted to match reported bond lengths","Journal of Solid State Chemistry","1982","44","","75","81","10.1016/0022-4596(82)90402-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012311","10.818","","10.818","","4.28","","90","","90","","120","","433.779","","","","","","","","","","","","","1","R -3 :H","-R 3","148","Sulfur","","Sulfur","- S6 -","- S6 -","- S18 -","3","0.166667","","Donohue, J.; Caron, A.; Goldish, E.","The crystal and molecular structure of S6 (sulfur-6) Locality: synthetic","Journal of the American Chemical Society","1961","83","","3748","3751","10.1021/ja01479a003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012361","10.766","","10.766","","4.225","","90","","90","","120","","424.098","","","","183","","","","","","","","Synthetic","1","R -3 :H","-R 3","148","","","Sulfur","- S6 -","- S6 -","- S18 -","3","0.166667","","Steidel, J.; Pickardt, J.; Steudel, R.","Redetermination of the crystal and molecular structure of cyclohexasulfur, S6","Zeitschrift fur Naturforschung B","1978","33","","1554","1555","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012386","11.734","","11.734","","11.021","","90","","90","","120","","1314.15","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Pd20 Sb7 -","- Pd20 Sb7 -","- Pd60 Sb21 -","3","0.166667","","Wopersnow, W.; Schubert, K.","Kristallstrukturen von Pd20Sb7 und Pd20Te7 Note: isotypic with keithconnite","Journal of the Less-Common Metals","1977","51","","35","44","10.1016/0022-5088(77)90171-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012398","9.377","","9.377","","36.57","","90","","90","","120","","2784.73","","","","","","","","","","","","Alter Berg, Radzein","5","R -3 :H","-R 3","148","","","Zeophyllite","- Ca13 F10 H12 O34 Si10 -","- Ca13 F10 H12 O34 Si10 -","- Ca39 F30 H36 O102 Si30 -","3","0.166667","","Mikenda, W.; Pertlik, F.; Povondra, P.; Ulrych, J.","On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and IR-investigations Locality: Alter Berg, Radzein Note: z-coordinate of Si2 was changed from 0.70304 to 0.07304 to match reported bond lengths","Mineralogy and Petrology","1997","61","","199","209","10.1007/BF01172484","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012665","17.02","","17.02","","9.679","","90","","90","","120","","2428.18","","","","","","","","","","","","Rov-Gora Mountain, West Keivy, Kola Peninsula, Russia","6","R -3 :H","-R 3","148","","","Tveitite","- Ca9.434 F41.06 Ho0.48 Na1.958 Nd0.954 Y5.298 -","- Ca9.434 F41.06 Ho0.48 Na1.958 Nd0.954 Y5.298 -","- Ca28.302 F123.18 Ho1.44 Na5.874 Nd2.862 Y15.894 -","3","0.166667","","Yakubovich, O. V.; Massa, W.; Pekov, I. V.; Gavrilenko, P. G.","Crystal structure of tveitite-(Y): fractionation of rare-earth elements between positions and the variety of defects","Crystallography Reports","2007","52","","71","79","10.1134/S1063774507010087","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9013138","11.362","","11.362","","4.429","","90","","90","","120","","495.16","","","","","","","","","","","","Synthetic","1","R -3 :H","-R 3","148","Selenium","","Selenium","- Se6 -","- Se6 -","- Se18 -","3","0.166667","","Miyamoto, Y.","Structure and phase transformation of rhombohedral selenium composed of Se6 molecules Locality: synthetic","Japanese Journal of Applied Physics","1980","19","","1813","1819","10.1143/JJAP.19.1813","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013423","5.7586","","5.7586","","26.7946","","90","","90","","120","","769.506","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Kuzelite","- Al Ca2 H22 O11 S0.5 -","- Al Ca2 H12 O11 S0.5 -","- Al3 Ca6 H36.0001 O33.0001 S1.5 -","3","0.166667","","Allmann, R.","Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]- Note: z(Wat1) adjusted to match reported bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","1977","1977","","136","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013701","12.1347","","12.1347","","34.706","","90","","90","","120","","4425.81","","","","","","","","","","","","Wiesciszowice, Rudawy Janowickie, Poland","5","R -3 :H","-R 3","148","","","Slavikite","- Fe5 H66 Mg2 O67.669 S7 -","- Fe15 H198 Mg6 O203.006 S21 -","- Fe15 H198 Mg6 O203.006 S21 -","","","","Parafiniuk, J.; Dobrzycki, L.; Wozniak, K.","Slavikite - revision of chemical composition and crystal structure","American Mineralogist","2010","95","","11","18","10.2138/am.2010.3272","","","","","","","","","","","","","","","","","","","","","has coordinates","282053","2023-03-24","19:02:00",""
"9013944","6.834","","6.834","","14.075","","90","","90","","120","","569.284","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Herbertsmithite","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","- Cl6 Cu9 H18 O18 Zn3 -","","","","Braithwaite, R. S. W.; Mereiter, K.; Paar, W. H.; Clark, A. M.","Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite Locality: Mina Los Tres Presidentes, Sierra Gorda, Chile","Mineralogical Magazine","2004","68","","527","539","10.1180/0026461046830204","","","","","","","","","","","","","","","","","","","","","has coordinates","176465","2020-10-21","18:00:00",""
"9014091","22.01","","22.01","","9.238","","90","","90","","120","","3875.69","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","6","R -3 :H","-R 3","148","","","Cossaite","- Al6 F6 H72 Mg0.5 O64 S7 -","- Al6 F6 H72 Mg0.5 O64 S7 -","- Al18 F18 H216 Mg1.5 O192 S21 -","3","0.166667","","Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Castellano, C.","Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: H atom in HSO4 group was not located","Mineralogical Magazine","2011","75","","2847","2855","10.1180/minmag.2011.075.6.2847","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014832","13.971","","13.971","","9.334","","90","","90","","120","","1577.81","","","","","","","","","","","","Franklin, New Jersey, USA","3","R -3 :H","-R 3","148","","","Willemite","- O4 Si Zn2 -","- O72 Si18 Zn36 -","- O72 Si18 Zn36 -","","","","Simonov, M. A.; Sandomirskii, P. A.; Egorov-Tismenko Y K; Belov, N. V.","The crystal structure of willemite Zn2[SiO4]","Doklady Akademii Nauk SSSR","1977","237","","581","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014901","9.2715","","9.2715","","21.1298","","90","","90","","120","","1572.99","","","","","","","","","","","","Synthetic","5","R -3 :H","-R 3","148","","","Ernstburkeite","- C2 H30 Mg O18 S2 -","- C6 H90 Mg3 O54 S6 -","- C6 H90 Mg3 O54 S6 -","","","","Genceli Guner, F. E.; Lutz, M.; Sakurai, T.; Spek, A. L.; Hondoh, T.","Crystallization and characterization of magnesium methanesulfonate hydrate Mg(CH3SO3)2*12H2O Note: T = 110 K","Crystal Growth & Design","2010","10","","4327","4333","10.1021/cg100234e","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015271","5.34","","5.34","","88.01","","90","","90","","120","","2173.43","","","","","","","","","","","","Monte Avanza mine, Udine Province, Italy","6","R -3 :H","-R 3","148","","","Zincalstibite","- Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68 -","- Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68 -","- Al7.38 Cu8.58 H108 O108 Sb9 Zn11.04 -","3","0.166667","","Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V.","Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type","Mineralogical Magazine","2012","76","","1337","1345","10.1180/minmag.2012.076.5.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015979","5.335","","5.335","","15.611","","90","","90","","120","","384.796","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","","- Na Nb O3 -","- Na6 Nb6 O18 -","- Na6 Nb6 O18 -","","","","Kumada, N.; Kinomura, N.; Muto, F.","Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~","Journal of the Ceramic Society of Japan","1990","98","1136","384","388","10.2109/jcersj.98.384","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016248","5.212","","5.212","","14.356","","90","","90","","120","","337.733","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","","- Li Nb O3 -","- Li6 Nb6 O18 -","- Li6 Nb6 O18 -","","","","Kumada, N.; Kinomura, N.; Muto, F.","Crystal structures of ilmenite type LiNbO~3~ and NaNbO~3~","Journal of the Ceramic Society of Japan","1990","98","1136","384","388","10.2109/jcersj.98.384","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016395","15.445","","15.445","","7.553","","90","","90","","120","","1560.36","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- H24 N6 O19 P6 -","- H72 N18 O57 P18 -","- H72 N18 O57 P18 -","","","","Averbuch-Pouchot M","Structure of ammonium cyclo-hexaphosphate monohydrate _cod_database_code 1008850","Acta Crystallographica, Section C","1989","45","","539","540","10.1107/S0108270188011990","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016449","10.3894","","10.3894","","20.8709","","90","","90","","120","","1950.98","","","","","","","","","","","","the Molinello mine,Val Graveglia, Italy","11","R -3 :H","-R 3","148","","","Paseroite","- Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 -","- Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 -","- Fe3.12 Mg0.06 Mn5.61 Na0.54 O114 Pb1.83 Sr1.17 Ti21.06 U0.06 V23.22 Zn0.75 -","3","0.166667","","Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G.","Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group","European Journal of Mineralogy","2012","24","","1061","1067","10.1127/0935-1221/2012/0024-2243","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016519","8.4035","","8.4035","","44.681","","90","","90","","120","","2732.59","","","","","","","","","","","","Otto Mountain near Baker, California, USA","6","R -3 :H","-R 3","148","","","Fuettererite","- Cl5 Cu6 H7 O13 Pb3 Te -","- Cl30 Cu36 H42 O78 Pb18 Te6 -","- Cl30 Cu36 H42 O78 Pb18 Te6 -","","","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: VIII. Fuettererite, Pb3Cu2+6Te6+O6(OH)7Cl5, a new mineral with double spangolite-type sheets","American Mineralogist","2013","98","","506","511","10.2138/am.2013.4218","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017238","10.3719","","10.3719","","20.8752","","90","","90","","120","","1944.81","","","","","","","","","","","","Buca della Vena mine, Apuan Alps, Tuscany, Italy","17","R -3 :H","-R 3","148","","","Mapiquiroite","- Al0.036 Ca0.026 Ce0.101 Cr1.62 Fe5.42 La0.176 Mn0.072 Na0.03 Nb0.018 O38 Pb0.105 Sn0.018 Sr0.533 Ti12.42 U0.407 V0.18 Y0.205 -","- Al0.036 Ca0.026 Ce0.101 Cr1.62 Fe5.42 La0.176 Mn0.072 Na0.03 Nb0.018 O38 Pb0.105 Sn0.018 Sr0.533 Ti12.42 U0.407 V0.18 Y0.205 -","- Al0.108 Ca0.078 Ce0.303 Cr4.86 Fe16.26 La0.528 Mn0.216 Na0.09 Nb0.054 O114 Pb0.315 Sn0.054 Sr1.599 Ti37.26 U1.221 V0.54 Y0.615 -","3","0.166667","","Biagioni, C.; Orlandi, P.; Pasero, M.; Nestola, F.; Bindi, L.","Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member of the crichtonite group from the Apuan Alps, Tuscany, Italy","European Journal of Mineralogy","2014","26","","427","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017239","10.3854","","10.3854","","20.8942","","90","","90","","120","","1951.65","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","18","R -3 :H","-R 3","148","","","Mapiquiroite","- Al0.036 Ca0.014 Ce0.021 Cr0.018 Fe6.682 La0.009 Mn0.005 Na0.019 Nb0.036 O38 Pb0.248 Sn18 Sr0.312 Ti12.078 U0.858 V0.378 Y0.07 Zn0.304 -","- Al0.036 Ca0.014 Ce0.021 Cr0.018 Fe6.682 La0.009 Mn0.005 Na0.019 Nb0.036 O38 Pb0.248 Sn18 Sr0.312 Ti12.078 U0.858 V0.378 Y0.07 Zn0.304 -","- Al0.108 Ca0.042 Ce0.063 Cr0.054 Fe20.046 La0.027 Mn0.015 Na0.057 Nb0.108 O114 Pb0.744 Sn54 Sr0.936 Ti36.234 U2.574 V1.134 Y0.21 Zn0.912 -","3","0.166667","","Biagioni, C.; Orlandi, P.; Pasero, M.; Nestola, F.; Bindi, L.","Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member of the crichtonite group from the Apuan Alps, Tuscany, Italy","European Journal of Mineralogy","2014","26","","427","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017253","24.199","","24.199","","7.6476","","90","","90","","120","","3878.38","","","","","","","","","","","","Saint Felix de Pailleres, France","4","R -3 :H","-R 3","148","","","Fibroferrite","- Fe H11 O10 S -","- Fe18 H198 O180 S18 -","- Fe18 H198 O180 S18 -","","","","Ventruti, G.; Ventura, G. D.; Bellatreccia, F.; Lacalamita, M.; Schingaro, E.","Hydrogen bond system and vibrational spectroscopy of the iron sulfate fibroferrite, Fe(OH)SO4*5H2O","European Journal of Mineralogy","2016","28","","943","952","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017356","4.812","","4.812","","16.02","","90","","90","","120","","321.251","","","","","","","","","","","","Pberdorf, Styria, Austria","6","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Fe0.05 Mg0.94 Mn0.01 O6 -","- C6 Ca3 Fe0.15 Mg2.82 Mn0.03 O18 -","- C6 Ca3 Fe0.15 Mg2.82 Mn0.03 O18 -","","","","Effenberger, H.; Mereiter, K.; Zemann, J.","Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates","Zeitschrift fur Kristallographie","1981","156","","233","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017388","13.682","","13.682","","13.916","","90","","90","","120","","2256.03","","","","","","","","","","","","Carr Boyd Rocks mine, Western Australia","6","R -3 :H","-R 3","148","","","Paratacamite-(Ni)","- Cl2 Co0.02 Cu3.27 H6 Ni0.71 O6 -","- Cl24 Co0.24 Cu39.24 H72 Ni8.52 O72 -","- Cl24 Co0.24 Cu39.24 H72 Ni8.52 O72 -","","","","Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Downes, P. J.; Welch, M. D.; Kampf, A. R.","Paratacamite-(Ni), Cu3(Ni,Cu)Cl2(OH)6, a new mineral from the Carr Boyd Rocks mine, Western Australia","Australian Journal of Mineralogy","2013","17","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017461","10.4359","","10.4359","","21.0471","","90","","90","","120","","1985.1","","","","","","","","","","","","Novo Horizonte, Bahia, Brazil","9","R -3 :H","-R 3","148","","","Almeidaite","- Fe4.9 H0.82 Mn0.8 O38 Pb0.6 Sr0.1 Ti13.4 Y0.4 Zn1.5 -","- Fe4.8998 H0.82 Mn0.7998 O38 Pb0.6 Sr0.1 Ti13.3998 Y0.4 Zn1.5 -","- Fe14.6994 H2.46 Mn2.3994 O114 Pb1.8 Sr0.3 Ti40.1994 Y1.2 Zn4.5 -","3","0.166667","","Kastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Menezes, L. A. D.","Crystal structure of almeidaite, a new mineral of the crichtonite group","Doklady Chemistry","2014","455","","53","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:47",""
"9017466","12.485","","12.485","","8.264","","90","","90","","120","","1115.57","","","","","","","","","","","","natural crystal from unreported locality","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be36 O72 Si18 -","- Be36 O72 Si18 -","","","","Tsirelson, V. G.; Sokolova, Y. V.; Urusov, V. S.","An X-ray diffraction study of the electron-density distribution and electrostatic potential in phenakite Be2SiO4","Geochemistry International","1987","24","","101","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017600","15.0324","","15.0324","","8.8776","","90","","90","","120","","1737.33","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","5","R -3 :H","-R 3","148","","","Aluminopyracmonite","- Al H12 N3 O12 S3 -","- Al6 H72 N18 O72 S18 -","- Al6 H72 N18 O72 S18 -","","","","Demartin, F.; Castellano, C.; Campostrini, I.","Aluminopyracmonite, (NH4)3Al(SO4)3, a new ammonium aluminium sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: z coordinate of Al2 has been changed from 1/6","Mineralogical Magazine","2013","77","","443","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:12:02",""
"9017627","13.689","","13.689","","14.025","","90","","90","","120","","2276.02","","","","","","","","","","","","Cuya village, Camarones Valley, Arica Province, Chile","7","R -3 :H","-R 3","148","","","Paratacamite-(Mg)","- Cl2 Cu3.38 H6 Mg0.6 Mn0.1 Ni0.1 O6 -","- Cl24 Cu40.56 H72 Mg7.2 Mn1.2 Ni1.2 O72 -","- Cl24 Cu40.56 H72 Mg7.2 Mn1.2 Ni1.2 O72 -","","","","Kampf, A. R.; Sciberras, M. J.; Leverett, P.; Williams, P. A.; Malcherek, T.; Schluter, J.; Welch, M. D.; Dini, M.; Donoso, A. A. M.","Paratacamite-(Mg), Cu3(Mg,Cu)Cl2(OH)6; a new substituted basic copper chloride mineral from Camerones, Chile","Mineralogical Magazine","2013","77","","3113","3124","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:23",""
"9017697","10.4359","","10.4359","","21.0471","","90","","90","","120","","1985.1","","","","","","","","","","","","Novo Horizonte, Bahia, Brazil","11","R -3 :H","-R 3","148","","","Almeidaite","- Ca0.04 Fe4.88 H0.8 La0.03 Mn0.72 O38 Pb0.59 Sr0.12 Ti13.44 Y0.46 Zn1.44 -","- Ca0.04 Fe4.88 H0.8 La0.03 Mn0.72 O38 Pb0.59 Sr0.12 Ti13.44 Y0.46 Zn1.44 -","- Ca0.12 Fe14.64 H2.4 La0.09 Mn2.16 O114 Pb1.77 Sr0.36 Ti40.32 Y1.38 Zn4.32 -","3","0.166667","","Menezes, L. A. D.; Chukanov, N. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Pekov, I. V.; Chaves, M. L. S. C.; Richards, R. P.; Atencio, D.; Brandao, P. R. G.; Scholz, R.; Krambrock, K.; Moreira, R. L.; Guimaraes, F. S.; Romano, A. W.; Persiano, A. C.; de Oliveira, L. C. A.; Ardisson, J. D.","Almeidaite, Pb(Mn,Y)Zn2(Ti,Fe3+)18O36(O,OH)2, a new crichtonite-group mineral, from Novo Horizonte, Bahia, Brazil","Mineralogical Magazine","2015","79","","269","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017764","9.7583","","9.7583","","53.687","","90","","90","","120","","4427.39","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","R -3 :H","-R 3","148","","","Scordariite","- Fe6.66 H34 K7.5 Na0.5 O67 S12 -","- Fe6.66 H34 K7.5002 Na0.5 O67 S12 -","- Fe19.98 H102 K22.5006 Na1.5 O201 S36 -","3","0.166667","","Biagioni, C.; Bindi, L.; Mauro, D.; Halenius; U","Crystal chemistry of sulfates from the Apuan Alps (Tuscany, Italy). V. Scordariite, K8(Fe3+0.67[]0.33)[Fe3+3O(SO4)6(H2O)3]2(H2O)11: A new metavoltine-related mineral","Minerals","2019","9","","","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017768","5.148","","5.148","","13.649","","90","","90","","120","","313.263","","","","","","","","","","","","Ries impact structure, Germany","4","R -3 :H","-R 3","148","","","Wangdaodeite","- Fe0.92 Mn0.08 O3 Ti -","- Fe5.52 Mn0.48 O18 Ti6 -","- Fe5.52 Mn0.48 O18 Ti6 -","","","","Tschauner, O.; Ma, C.; Newville, M. G.; Lanzirotti, A.","Structure analysis of natural wangdaodeite - LiNbO3-type FeTiO3","Minerals","2020","10","","","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017895","8.229","","8.229","","22.177","","90","","90","","120","","1300.55","","","","","","","","","","","","Synthetic","3","R -3 :H","-R 3","148","","","Mikasaite","- Fe2 O12 S3 -","- Fe12 O72 S18 -","- Fe12 O72 S18 -","","","","Masse, R.; Guitel, J. C.; Perret, R.","Structure crystalline de la variete rhomboedrique du sulfate ferrique Fe2(SO4)3","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie","1973","96","","346","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017914","10.9631","","10.9631","","51.473","","90","","90","","120","","5357.68","","","","","","","","","","","","Hongshan Cu-Au deposit, NW China","5","R -3 :H","-R 3","148","","","Paracoquimbite","- Al0.062 Fe1.938 H18 O21 S3 -","- Al0.0625 Fe1.93775 H18 O21 S3 -","- Al0.75 Fe23.253 H216 O252 S36 -","12","0.666667","","Yang, Z.; Giester, G.","Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China","European Journal of Mineralogy","2018","30","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""